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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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/seq3-3b6e8726/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: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -668.694533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.694533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.694533 (E_RNA) where: Base-Base interactions energy: -969.379 where: short stacking energy: -485.374 Base-Backbone interact. energy: 15.177 local terms energy: 285.507815 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: 764.561 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -48.514 tors. eta vs tors. theta energy: -160.241 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -2211.381063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.381063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.381063 (E_RNA) where: Base-Base interactions energy: -1497.315 where: short stacking energy: -655.728 Base-Backbone interact. energy: 0.998 local terms energy: -715.064089 where: bonds (distance) C4'-P energy: -139.461 bonds (distance) P-C4' energy: -133.088 flat angles C4'-P-C4' energy: -158.300 flat angles P-C4'-P energy: -92.624 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -2131.733863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.733863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.733863 (E_RNA) where: Base-Base interactions energy: -1474.010 where: short stacking energy: -630.718 Base-Backbone interact. energy: 0.095 local terms energy: -657.819323 where: bonds (distance) C4'-P energy: -123.981 bonds (distance) P-C4' energy: -127.878 flat angles C4'-P-C4' energy: -138.936 flat angles P-C4'-P energy: -81.645 tors. eta vs tors. theta energy: -185.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -2100.639895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.639895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.639895 (E_RNA) where: Base-Base interactions energy: -1421.285 where: short stacking energy: -636.630 Base-Backbone interact. energy: -2.498 local terms energy: -676.856676 where: bonds (distance) C4'-P energy: -110.430 bonds (distance) P-C4' energy: -138.403 flat angles C4'-P-C4' energy: -147.726 flat angles P-C4'-P energy: -93.377 tors. eta vs tors. theta energy: -186.920 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1979.859571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.859571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.859571 (E_RNA) where: Base-Base interactions energy: -1352.179 where: short stacking energy: -599.765 Base-Backbone interact. energy: 0.678 local terms energy: -628.358303 where: bonds (distance) C4'-P energy: -124.313 bonds (distance) P-C4' energy: -119.301 flat angles C4'-P-C4' energy: -137.845 flat angles P-C4'-P energy: -73.240 tors. eta vs tors. theta energy: -173.659 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1905.026249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.026249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.026249 (E_RNA) where: Base-Base interactions energy: -1233.138 where: short stacking energy: -539.348 Base-Backbone interact. energy: 0.477 local terms energy: -672.364794 where: bonds (distance) C4'-P energy: -120.592 bonds (distance) P-C4' energy: -141.315 flat angles C4'-P-C4' energy: -135.054 flat angles P-C4'-P energy: -97.663 tors. eta vs tors. theta energy: -177.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1841.344843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.344843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.344843 (E_RNA) where: Base-Base interactions energy: -1260.772 where: short stacking energy: -541.606 Base-Backbone interact. energy: -2.309 local terms energy: -578.263611 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -102.304 flat angles C4'-P-C4' energy: -134.041 flat angles P-C4'-P energy: -76.547 tors. eta vs tors. theta energy: -146.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1617.812620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.812620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.812620 (E_RNA) where: Base-Base interactions energy: -1097.537 where: short stacking energy: -490.902 Base-Backbone interact. energy: -3.123 local terms energy: -517.152423 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -100.143 flat angles C4'-P-C4' energy: -115.252 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -133.457 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1484.360101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.360101 (E_RNA) where: Base-Base interactions energy: -1024.614 where: short stacking energy: -448.321 Base-Backbone interact. energy: -0.284 local terms energy: -459.462766 where: bonds (distance) C4'-P energy: -85.737 bonds (distance) P-C4' energy: -100.860 flat angles C4'-P-C4' energy: -99.956 flat angles P-C4'-P energy: -53.627 tors. eta vs tors. theta energy: -119.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1434.636119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.636119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.636119 (E_RNA) where: Base-Base interactions energy: -931.660 where: short stacking energy: -487.323 Base-Backbone interact. energy: -2.125 local terms energy: -500.851319 where: bonds (distance) C4'-P energy: -94.997 bonds (distance) P-C4' energy: -99.854 flat angles C4'-P-C4' energy: -125.925 flat angles P-C4'-P energy: -53.775 tors. eta vs tors. theta energy: -126.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1322.662873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.662873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.662873 (E_RNA) where: Base-Base interactions energy: -883.464 where: short stacking energy: -381.975 Base-Backbone interact. energy: -0.103 local terms energy: -439.096473 where: bonds (distance) C4'-P energy: -87.170 bonds (distance) P-C4' energy: -108.050 flat angles C4'-P-C4' energy: -89.362 flat angles P-C4'-P energy: -54.810 tors. eta vs tors. theta energy: -99.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -2274.448642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.448642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.448642 (E_RNA) where: Base-Base interactions energy: -1571.081 where: short stacking energy: -693.418 Base-Backbone interact. energy: -3.097 local terms energy: -700.271090 where: bonds (distance) C4'-P energy: -135.614 bonds (distance) P-C4' energy: -126.968 flat angles C4'-P-C4' energy: -148.529 flat angles P-C4'-P energy: -87.291 tors. eta vs tors. theta energy: -201.869 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -2220.902848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.902848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.902848 (E_RNA) where: Base-Base interactions energy: -1542.646 where: short stacking energy: -674.061 Base-Backbone interact. energy: -1.458 local terms energy: -676.799673 where: bonds (distance) C4'-P energy: -116.948 bonds (distance) P-C4' energy: -128.637 flat angles C4'-P-C4' energy: -153.904 flat angles P-C4'-P energy: -79.646 tors. eta vs tors. theta energy: -197.664 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -2212.029300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.029300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.029300 (E_RNA) where: Base-Base interactions energy: -1518.151 where: short stacking energy: -661.375 Base-Backbone interact. energy: -4.365 local terms energy: -689.513731 where: bonds (distance) C4'-P energy: -130.982 bonds (distance) P-C4' energy: -130.434 flat angles C4'-P-C4' energy: -141.828 flat angles P-C4'-P energy: -93.262 tors. eta vs tors. theta energy: -193.007 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -2032.050963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.050963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.050963 (E_RNA) where: Base-Base interactions energy: -1377.200 where: short stacking energy: -581.922 Base-Backbone interact. energy: -1.321 local terms energy: -653.530811 where: bonds (distance) C4'-P energy: -122.543 bonds (distance) P-C4' energy: -114.140 flat angles C4'-P-C4' energy: -138.248 flat angles P-C4'-P energy: -95.157 tors. eta vs tors. theta energy: -183.442 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: 3 Temperature: 1.100000 Total energy: -1956.475058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.475058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.475058 (E_RNA) where: Base-Base interactions energy: -1325.302 where: short stacking energy: -565.547 Base-Backbone interact. energy: -0.624 local terms energy: -630.549023 where: bonds (distance) C4'-P energy: -124.191 bonds (distance) P-C4' energy: -128.399 flat angles C4'-P-C4' energy: -125.857 flat angles P-C4'-P energy: -83.687 tors. eta vs tors. theta energy: -168.416 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1918.751822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.751822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.751822 (E_RNA) where: Base-Base interactions energy: -1327.111 where: short stacking energy: -564.742 Base-Backbone interact. energy: -4.214 local terms energy: -587.426671 where: bonds (distance) C4'-P energy: -121.371 bonds (distance) P-C4' energy: -102.102 flat angles C4'-P-C4' energy: -129.346 flat angles P-C4'-P energy: -70.749 tors. eta vs tors. theta energy: -163.859 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -1658.892396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.892396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.892396 (E_RNA) where: Base-Base interactions energy: -1108.358 where: short stacking energy: -481.392 Base-Backbone interact. energy: -1.740 local terms energy: -548.794864 where: bonds (distance) C4'-P energy: -97.211 bonds (distance) P-C4' energy: -116.814 flat angles C4'-P-C4' energy: -119.203 flat angles P-C4'-P energy: -76.696 tors. eta vs tors. theta energy: -138.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -1506.797759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.797759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.797759 (E_RNA) where: Base-Base interactions energy: -976.366 where: short stacking energy: -454.023 Base-Backbone interact. energy: -2.510 local terms energy: -527.921478 where: bonds (distance) C4'-P energy: -96.350 bonds (distance) P-C4' energy: -122.703 flat angles C4'-P-C4' energy: -127.137 flat angles P-C4'-P energy: -68.184 tors. eta vs tors. theta energy: -113.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -1329.441332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.441332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.441332 (E_RNA) where: Base-Base interactions energy: -852.376 where: short stacking energy: -384.253 Base-Backbone interact. energy: -2.038 local terms energy: -475.027536 where: bonds (distance) C4'-P energy: -119.750 bonds (distance) P-C4' energy: -112.610 flat angles C4'-P-C4' energy: -99.376 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -86.937 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -1164.329911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.329911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.329911 (E_RNA) where: Base-Base interactions energy: -692.620 where: short stacking energy: -308.983 Base-Backbone interact. energy: -1.715 local terms energy: -469.994988 where: bonds (distance) C4'-P energy: -113.607 bonds (distance) P-C4' energy: -111.468 flat angles C4'-P-C4' energy: -109.507 flat angles P-C4'-P energy: -74.507 tors. eta vs tors. theta energy: -60.906 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -2339.077381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.077381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.077381 (E_RNA) where: Base-Base interactions energy: -1592.914 where: short stacking energy: -729.396 Base-Backbone interact. energy: -2.886 local terms energy: -743.277731 where: bonds (distance) C4'-P energy: -139.108 bonds (distance) P-C4' energy: -132.913 flat angles C4'-P-C4' energy: -159.919 flat angles P-C4'-P energy: -97.609 tors. eta vs tors. theta energy: -213.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -2284.699182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.699182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.699182 (E_RNA) where: Base-Base interactions energy: -1586.686 where: short stacking energy: -689.899 Base-Backbone interact. energy: 0.830 local terms energy: -698.843020 where: bonds (distance) C4'-P energy: -129.966 bonds (distance) P-C4' energy: -129.058 flat angles C4'-P-C4' energy: -149.267 flat angles P-C4'-P energy: -93.021 tors. eta vs tors. theta energy: -197.532 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -2234.205259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.205259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.205259 (E_RNA) where: Base-Base interactions energy: -1562.434 where: short stacking energy: -672.994 Base-Backbone interact. energy: -3.518 local terms energy: -668.252940 where: bonds (distance) C4'-P energy: -117.788 bonds (distance) P-C4' energy: -121.348 flat angles C4'-P-C4' energy: -133.548 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -203.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -2070.486181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.486181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.486181 (E_RNA) where: Base-Base interactions energy: -1399.925 where: short stacking energy: -620.242 Base-Backbone interact. energy: -0.778 local terms energy: -669.783160 where: bonds (distance) C4'-P energy: -126.554 bonds (distance) P-C4' energy: -126.063 flat angles C4'-P-C4' energy: -151.042 flat angles P-C4'-P energy: -90.354 tors. eta vs tors. theta energy: -175.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -2037.191305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.191305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.191305 (E_RNA) where: Base-Base interactions energy: -1404.362 where: short stacking energy: -581.325 Base-Backbone interact. energy: -1.871 local terms energy: -630.958197 where: bonds (distance) C4'-P energy: -107.651 bonds (distance) P-C4' energy: -123.960 flat angles C4'-P-C4' energy: -147.137 flat angles P-C4'-P energy: -65.737 tors. eta vs tors. theta energy: -186.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1952.022582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.022582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.022582 (E_RNA) where: Base-Base interactions energy: -1323.543 where: short stacking energy: -565.712 Base-Backbone interact. energy: -1.742 local terms energy: -626.737576 where: bonds (distance) C4'-P energy: -121.383 bonds (distance) P-C4' energy: -107.226 flat angles C4'-P-C4' energy: -151.685 flat angles P-C4'-P energy: -80.410 tors. eta vs tors. theta energy: -166.033 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -1726.314591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.314591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.314591 (E_RNA) where: Base-Base interactions energy: -1176.626 where: short stacking energy: -504.324 Base-Backbone interact. energy: -3.320 local terms energy: -546.369493 where: bonds (distance) C4'-P energy: -105.639 bonds (distance) P-C4' energy: -103.302 flat angles C4'-P-C4' energy: -123.288 flat angles P-C4'-P energy: -54.649 tors. eta vs tors. theta energy: -159.492 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -1506.658093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.658093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.658093 (E_RNA) where: Base-Base interactions energy: -1017.418 where: short stacking energy: -439.467 Base-Backbone interact. energy: 1.628 local terms energy: -490.867593 where: bonds (distance) C4'-P energy: -104.880 bonds (distance) P-C4' energy: -99.580 flat angles C4'-P-C4' energy: -117.368 flat angles P-C4'-P energy: -70.034 tors. eta vs tors. theta energy: -99.005 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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -1353.500175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.500175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.500175 (E_RNA) where: Base-Base interactions energy: -868.386 where: short stacking energy: -405.167 Base-Backbone interact. energy: -3.350 local terms energy: -481.764813 where: bonds (distance) C4'-P energy: -105.455 bonds (distance) P-C4' energy: -90.691 flat angles C4'-P-C4' energy: -120.930 flat angles P-C4'-P energy: -76.179 tors. eta vs tors. theta energy: -88.509 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1134.790737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.790737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.790737 (E_RNA) where: Base-Base interactions energy: -704.547 where: short stacking energy: -300.194 Base-Backbone interact. energy: 4.600 local terms energy: -434.844039 where: bonds (distance) C4'-P energy: -99.039 bonds (distance) P-C4' energy: -110.068 flat angles C4'-P-C4' energy: -98.023 flat angles P-C4'-P energy: -82.474 tors. eta vs tors. theta energy: -45.239 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) out arg RESULTS//1/seq3-3b6e8726_01 ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -2411.555691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.555691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.555691 (E_RNA) where: Base-Base interactions energy: -1673.746 where: short stacking energy: -714.826 Base-Backbone interact. energy: -2.241 local terms energy: -735.568543 where: bonds (distance) C4'-P energy: -125.319 bonds (distance) P-C4' energy: -135.448 flat angles C4'-P-C4' energy: -159.719 flat angles P-C4'-P energy: -100.346 tors. eta vs tors. theta energy: -214.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -2282.119684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.119684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.119684 (E_RNA) where: Base-Base interactions energy: -1589.569 where: short stacking energy: -703.144 Base-Backbone interact. energy: -0.697 local terms energy: -691.853443 where: bonds (distance) C4'-P energy: -118.892 bonds (distance) P-C4' energy: -130.370 flat angles C4'-P-C4' energy: -144.197 flat angles P-C4'-P energy: -100.171 tors. eta vs tors. theta energy: -198.224 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: 5 Temperature: 1.000000 Total energy: -2253.764075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.764075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.764075 (E_RNA) where: Base-Base interactions energy: -1536.162 where: short stacking energy: -678.995 Base-Backbone interact. energy: -1.981 local terms energy: -715.621435 where: bonds (distance) C4'-P energy: -122.852 bonds (distance) P-C4' energy: -131.218 flat angles C4'-P-C4' energy: -141.240 flat angles P-C4'-P energy: -113.446 tors. eta vs tors. theta energy: -206.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -2083.874296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.874296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.874296 (E_RNA) where: Base-Base interactions energy: -1431.360 where: short stacking energy: -615.456 Base-Backbone interact. energy: -1.069 local terms energy: -651.446053 where: bonds (distance) C4'-P energy: -116.975 bonds (distance) P-C4' energy: -122.139 flat angles C4'-P-C4' energy: -135.549 flat angles P-C4'-P energy: -92.987 tors. eta vs tors. theta energy: -183.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -2028.502090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.502090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.502090 (E_RNA) where: Base-Base interactions energy: -1403.102 where: short stacking energy: -566.598 Base-Backbone interact. energy: -1.198 local terms energy: -624.202326 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -125.390 flat angles C4'-P-C4' energy: -121.729 flat angles P-C4'-P energy: -93.228 tors. eta vs tors. theta energy: -164.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -2015.366692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.366692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.366692 (E_RNA) where: Base-Base interactions energy: -1390.323 where: short stacking energy: -561.535 Base-Backbone interact. energy: 0.120 local terms energy: -625.163831 where: bonds (distance) C4'-P energy: -112.216 bonds (distance) P-C4' energy: -118.013 flat angles C4'-P-C4' energy: -143.717 flat angles P-C4'-P energy: -82.942 tors. eta vs tors. theta energy: -168.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1731.995646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.995646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.995646 (E_RNA) where: Base-Base interactions energy: -1204.414 where: short stacking energy: -492.540 Base-Backbone interact. energy: -1.117 local terms energy: -526.465055 where: bonds (distance) C4'-P energy: -132.404 bonds (distance) P-C4' energy: -111.904 flat angles C4'-P-C4' energy: -103.388 flat angles P-C4'-P energy: -59.434 tors. eta vs tors. theta energy: -119.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -1569.043284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.043284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.043284 (E_RNA) where: Base-Base interactions energy: -1045.753 where: short stacking energy: -439.188 Base-Backbone interact. energy: -3.053 local terms energy: -520.237142 where: bonds (distance) C4'-P energy: -106.648 bonds (distance) P-C4' energy: -105.939 flat angles C4'-P-C4' energy: -129.581 flat angles P-C4'-P energy: -62.776 tors. eta vs tors. theta energy: -115.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -1474.958970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.958970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.958970 (E_RNA) where: Base-Base interactions energy: -975.346 where: short stacking energy: -424.730 Base-Backbone interact. energy: -2.136 local terms energy: -497.477480 where: bonds (distance) C4'-P energy: -96.169 bonds (distance) P-C4' energy: -119.418 flat angles C4'-P-C4' energy: -126.114 flat angles P-C4'-P energy: -65.432 tors. eta vs tors. theta energy: -90.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -1178.544744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.544744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.544744 (E_RNA) where: Base-Base interactions energy: -777.355 where: short stacking energy: -345.920 Base-Backbone interact. energy: 2.687 local terms energy: -403.876355 where: bonds (distance) C4'-P energy: -93.849 bonds (distance) P-C4' energy: -93.392 flat angles C4'-P-C4' energy: -87.369 flat angles P-C4'-P energy: -74.286 tors. eta vs tors. theta energy: -54.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -2430.940797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.940797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.940797 (E_RNA) where: Base-Base interactions energy: -1689.792 where: short stacking energy: -724.518 Base-Backbone interact. energy: -6.162 local terms energy: -734.987106 where: bonds (distance) C4'-P energy: -139.129 bonds (distance) P-C4' energy: -131.414 flat angles C4'-P-C4' energy: -144.259 flat angles P-C4'-P energy: -106.478 tors. eta vs tors. theta energy: -213.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -2267.408584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.408584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.408584 (E_RNA) where: Base-Base interactions energy: -1561.577 where: short stacking energy: -658.936 Base-Backbone interact. energy: -2.209 local terms energy: -703.622263 where: bonds (distance) C4'-P energy: -123.225 bonds (distance) P-C4' energy: -123.819 flat angles C4'-P-C4' energy: -153.974 flat angles P-C4'-P energy: -105.398 tors. eta vs tors. theta energy: -197.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -2257.804923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.804923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.804923 (E_RNA) where: Base-Base interactions energy: -1554.000 where: short stacking energy: -686.881 Base-Backbone interact. energy: -2.101 local terms energy: -701.703819 where: bonds (distance) C4'-P energy: -129.176 bonds (distance) P-C4' energy: -139.456 flat angles C4'-P-C4' energy: -142.440 flat angles P-C4'-P energy: -89.221 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: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -2115.176484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.176484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.176484 (E_RNA) where: Base-Base interactions energy: -1454.034 where: short stacking energy: -614.102 Base-Backbone interact. energy: 2.207 local terms energy: -663.348979 where: bonds (distance) C4'-P energy: -110.396 bonds (distance) P-C4' energy: -118.445 flat angles C4'-P-C4' energy: -151.201 flat angles P-C4'-P energy: -93.663 tors. eta vs tors. theta energy: -189.643 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -2113.169332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.169332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.169332 (E_RNA) where: Base-Base interactions energy: -1463.983 where: short stacking energy: -619.439 Base-Backbone interact. energy: -1.872 local terms energy: -647.314640 where: bonds (distance) C4'-P energy: -124.986 bonds (distance) P-C4' energy: -121.546 flat angles C4'-P-C4' energy: -131.772 flat angles P-C4'-P energy: -81.195 tors. eta vs tors. theta energy: -187.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -2020.285627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.285627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.285627 (E_RNA) where: Base-Base interactions energy: -1392.499 where: short stacking energy: -598.628 Base-Backbone interact. energy: -1.934 local terms energy: -625.853171 where: bonds (distance) C4'-P energy: -105.948 bonds (distance) P-C4' energy: -109.865 flat angles C4'-P-C4' energy: -145.229 flat angles P-C4'-P energy: -84.818 tors. eta vs tors. theta energy: -179.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1714.756959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.756959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.756959 (E_RNA) where: Base-Base interactions energy: -1166.177 where: short stacking energy: -533.530 Base-Backbone interact. energy: 2.335 local terms energy: -550.914954 where: bonds (distance) C4'-P energy: -111.798 bonds (distance) P-C4' energy: -112.556 flat angles C4'-P-C4' energy: -134.903 flat angles P-C4'-P energy: -49.693 tors. eta vs tors. theta energy: -141.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -1564.489391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.489391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.489391 (E_RNA) where: Base-Base interactions energy: -1052.671 where: short stacking energy: -469.731 Base-Backbone interact. energy: -0.455 local terms energy: -511.362972 where: bonds (distance) C4'-P energy: -107.081 bonds (distance) P-C4' energy: -99.838 flat angles C4'-P-C4' energy: -105.611 flat angles P-C4'-P energy: -86.117 tors. eta vs tors. theta energy: -112.716 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1512.424255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.424255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.424255 (E_RNA) where: Base-Base interactions energy: -1014.576 where: short stacking energy: -445.371 Base-Backbone interact. energy: -2.060 local terms energy: -495.787830 where: bonds (distance) C4'-P energy: -93.366 bonds (distance) P-C4' energy: -111.324 flat angles C4'-P-C4' energy: -119.019 flat angles P-C4'-P energy: -44.960 tors. eta vs tors. theta energy: -127.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1239.446312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.446312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.446312 (E_RNA) where: Base-Base interactions energy: -787.679 where: short stacking energy: -373.604 Base-Backbone interact. energy: 2.374 local terms energy: -454.140380 where: bonds (distance) C4'-P energy: -106.875 bonds (distance) P-C4' energy: -115.997 flat angles C4'-P-C4' energy: -101.502 flat angles P-C4'-P energy: -65.072 tors. eta vs tors. theta energy: -64.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -2411.382196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.382196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.382196 (E_RNA) where: Base-Base interactions energy: -1665.782 where: short stacking energy: -719.458 Base-Backbone interact. energy: -2.076 local terms energy: -743.524677 where: bonds (distance) C4'-P energy: -120.531 bonds (distance) P-C4' energy: -142.521 flat angles C4'-P-C4' energy: -150.188 flat angles P-C4'-P energy: -110.802 tors. eta vs tors. theta energy: -219.483 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: 7 Temperature: 0.950000 Total energy: -2366.756976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.756976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.756976 (E_RNA) where: Base-Base interactions energy: -1640.448 where: short stacking energy: -728.020 Base-Backbone interact. energy: -4.340 local terms energy: -721.969534 where: bonds (distance) C4'-P energy: -119.942 bonds (distance) P-C4' energy: -128.438 flat angles C4'-P-C4' energy: -157.719 flat angles P-C4'-P energy: -99.421 tors. eta vs tors. theta energy: -216.449 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -2247.867949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.867949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.867949 (E_RNA) where: Base-Base interactions energy: -1574.627 where: short stacking energy: -678.258 Base-Backbone interact. energy: -1.797 local terms energy: -671.444252 where: bonds (distance) C4'-P energy: -123.574 bonds (distance) P-C4' energy: -106.014 flat angles C4'-P-C4' energy: -144.175 flat angles P-C4'-P energy: -91.003 tors. eta vs tors. theta energy: -206.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -2232.135246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.135246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.135246 (E_RNA) where: Base-Base interactions energy: -1562.843 where: short stacking energy: -666.030 Base-Backbone interact. energy: -3.957 local terms energy: -665.334936 where: bonds (distance) C4'-P energy: -135.804 bonds (distance) P-C4' energy: -123.104 flat angles C4'-P-C4' energy: -134.367 flat angles P-C4'-P energy: -87.927 tors. eta vs tors. theta energy: -184.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -2032.195606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.195606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.195606 (E_RNA) where: Base-Base interactions energy: -1418.473 where: short stacking energy: -604.449 Base-Backbone interact. energy: 2.364 local terms energy: -616.087200 where: bonds (distance) C4'-P energy: -123.762 bonds (distance) P-C4' energy: -110.865 flat angles C4'-P-C4' energy: -138.411 flat angles P-C4'-P energy: -61.281 tors. eta vs tors. theta energy: -181.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1989.194740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.194740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.194740 (E_RNA) where: Base-Base interactions energy: -1334.916 where: short stacking energy: -564.370 Base-Backbone interact. energy: -2.323 local terms energy: -651.955917 where: bonds (distance) C4'-P energy: -127.291 bonds (distance) P-C4' energy: -127.456 flat angles C4'-P-C4' energy: -128.632 flat angles P-C4'-P energy: -93.663 tors. eta vs tors. theta energy: -174.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1683.723324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.723324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.723324 (E_RNA) where: Base-Base interactions energy: -1111.995 where: short stacking energy: -486.437 Base-Backbone interact. energy: -3.225 local terms energy: -568.503293 where: bonds (distance) C4'-P energy: -119.474 bonds (distance) P-C4' energy: -126.027 flat angles C4'-P-C4' energy: -117.211 flat angles P-C4'-P energy: -73.470 tors. eta vs tors. theta energy: -132.322 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1626.341185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.341185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.341185 (E_RNA) where: Base-Base interactions energy: -1080.614 where: short stacking energy: -458.565 Base-Backbone interact. energy: 3.256 local terms energy: -548.982936 where: bonds (distance) C4'-P energy: -108.674 bonds (distance) P-C4' energy: -125.635 flat angles C4'-P-C4' energy: -139.836 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -118.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1505.383824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.383824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.383824 (E_RNA) where: Base-Base interactions energy: -1000.764 where: short stacking energy: -424.968 Base-Backbone interact. energy: 1.007 local terms energy: -505.627049 where: bonds (distance) C4'-P energy: -104.947 bonds (distance) P-C4' energy: -98.393 flat angles C4'-P-C4' energy: -120.508 flat angles P-C4'-P energy: -74.750 tors. eta vs tors. theta energy: -107.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -1218.183245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.183245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.183245 (E_RNA) where: Base-Base interactions energy: -800.019 where: short stacking energy: -361.331 Base-Backbone interact. energy: -3.400 local terms energy: -414.763739 where: bonds (distance) C4'-P energy: -113.230 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -81.980 flat angles P-C4'-P energy: -60.011 tors. eta vs tors. theta energy: -65.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -2413.446725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.446725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.446725 (E_RNA) where: Base-Base interactions energy: -1663.323 where: short stacking energy: -718.297 Base-Backbone interact. energy: -2.171 local terms energy: -747.952853 where: bonds (distance) C4'-P energy: -137.345 bonds (distance) P-C4' energy: -133.750 flat angles C4'-P-C4' energy: -156.463 flat angles P-C4'-P energy: -102.883 tors. eta vs tors. theta energy: -217.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -2387.911738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.911738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.911738 (E_RNA) where: Base-Base interactions energy: -1666.124 where: short stacking energy: -695.674 Base-Backbone interact. energy: 1.151 local terms energy: -722.938673 where: bonds (distance) C4'-P energy: -138.638 bonds (distance) P-C4' energy: -130.957 flat angles C4'-P-C4' energy: -155.707 flat angles P-C4'-P energy: -87.770 tors. eta vs tors. theta energy: -209.866 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: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -2265.594921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.594921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.594921 (E_RNA) where: Base-Base interactions energy: -1616.006 where: short stacking energy: -672.839 Base-Backbone interact. energy: -1.369 local terms energy: -648.220481 where: bonds (distance) C4'-P energy: -96.630 bonds (distance) P-C4' energy: -123.799 flat angles C4'-P-C4' energy: -138.324 flat angles P-C4'-P energy: -99.173 tors. eta vs tors. theta energy: -190.293 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: 6 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -2212.042268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.042268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.042268 (E_RNA) where: Base-Base interactions energy: -1536.316 where: short stacking energy: -658.263 Base-Backbone interact. energy: -1.666 local terms energy: -674.060521 where: bonds (distance) C4'-P energy: -113.834 bonds (distance) P-C4' energy: -124.083 flat angles C4'-P-C4' energy: -148.335 flat angles P-C4'-P energy: -91.192 tors. eta vs tors. theta energy: -196.617 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: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -2096.193353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.193353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.193353 (E_RNA) where: Base-Base interactions energy: -1462.395 where: short stacking energy: -614.685 Base-Backbone interact. energy: -0.903 local terms energy: -632.895151 where: bonds (distance) C4'-P energy: -108.276 bonds (distance) P-C4' energy: -115.061 flat angles C4'-P-C4' energy: -138.786 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -190.047 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: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1894.273969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.273969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.273969 (E_RNA) where: Base-Base interactions energy: -1302.248 where: short stacking energy: -561.357 Base-Backbone interact. energy: -1.095 local terms energy: -590.930804 where: bonds (distance) C4'-P energy: -120.635 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -124.834 flat angles P-C4'-P energy: -74.050 tors. eta vs tors. theta energy: -168.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1687.872423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.872423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.872423 (E_RNA) where: Base-Base interactions energy: -1127.607 where: short stacking energy: -498.436 Base-Backbone interact. energy: 0.012 local terms energy: -560.277404 where: bonds (distance) C4'-P energy: -113.969 bonds (distance) P-C4' energy: -121.850 flat angles C4'-P-C4' energy: -136.549 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: -136.761 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1528.415625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.415625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.415625 (E_RNA) where: Base-Base interactions energy: -1005.975 where: short stacking energy: -456.366 Base-Backbone interact. energy: -1.763 local terms energy: -520.678235 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -111.588 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -73.871 tors. eta vs tors. theta energy: -122.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -1441.593634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.593634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.593634 (E_RNA) where: Base-Base interactions energy: -985.342 where: short stacking energy: -430.456 Base-Backbone interact. energy: -0.951 local terms energy: -455.300674 where: bonds (distance) C4'-P energy: -96.670 bonds (distance) P-C4' energy: -100.785 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -59.044 tors. eta vs tors. theta energy: -91.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1227.908201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.908201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.908201 (E_RNA) where: Base-Base interactions energy: -781.821 where: short stacking energy: -365.476 Base-Backbone interact. energy: -0.126 local terms energy: -445.960891 where: bonds (distance) C4'-P energy: -100.349 bonds (distance) P-C4' energy: -107.828 flat angles C4'-P-C4' energy: -93.778 flat angles P-C4'-P energy: -60.058 tors. eta vs tors. theta energy: -83.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -2428.653983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.653983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.653983 (E_RNA) where: Base-Base interactions energy: -1674.368 where: short stacking energy: -726.140 Base-Backbone interact. energy: -2.516 local terms energy: -751.769908 where: bonds (distance) C4'-P energy: -126.106 bonds (distance) P-C4' energy: -129.527 flat angles C4'-P-C4' energy: -160.129 flat angles P-C4'-P energy: -108.981 tors. eta vs tors. theta energy: -227.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -2383.957033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.957033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.957033 (E_RNA) where: Base-Base interactions energy: -1667.146 where: short stacking energy: -708.613 Base-Backbone interact. energy: -0.514 local terms energy: -716.296968 where: bonds (distance) C4'-P energy: -124.462 bonds (distance) P-C4' energy: -129.347 flat angles C4'-P-C4' energy: -150.123 flat angles P-C4'-P energy: -97.342 tors. eta vs tors. theta energy: -215.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -2307.162970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.162970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.162970 (E_RNA) where: Base-Base interactions energy: -1603.237 where: short stacking energy: -691.128 Base-Backbone interact. energy: -1.887 local terms energy: -702.039173 where: bonds (distance) C4'-P energy: -132.632 bonds (distance) P-C4' energy: -122.598 flat angles C4'-P-C4' energy: -148.485 flat angles P-C4'-P energy: -100.911 tors. eta vs tors. theta energy: -197.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -2230.305510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.305510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.305510 (E_RNA) where: Base-Base interactions energy: -1573.501 where: short stacking energy: -681.234 Base-Backbone interact. energy: -0.680 local terms energy: -656.124622 where: bonds (distance) C4'-P energy: -122.691 bonds (distance) P-C4' energy: -100.137 flat angles C4'-P-C4' energy: -135.149 flat angles P-C4'-P energy: -91.319 tors. eta vs tors. theta energy: -206.829 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: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -2131.066193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.066193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.066193 (E_RNA) where: Base-Base interactions energy: -1459.657 where: short stacking energy: -618.915 Base-Backbone interact. energy: -3.308 local terms energy: -668.100677 where: bonds (distance) C4'-P energy: -129.675 bonds (distance) P-C4' energy: -132.407 flat angles C4'-P-C4' energy: -133.599 flat angles P-C4'-P energy: -85.329 tors. eta vs tors. theta energy: -187.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1859.722496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.722496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.722496 (E_RNA) where: Base-Base interactions energy: -1249.222 where: short stacking energy: -570.149 Base-Backbone interact. energy: 1.255 local terms energy: -611.755351 where: bonds (distance) C4'-P energy: -116.405 bonds (distance) P-C4' energy: -110.348 flat angles C4'-P-C4' energy: -135.515 flat angles P-C4'-P energy: -97.650 tors. eta vs tors. theta energy: -151.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1650.384495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.384495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.384495 (E_RNA) where: Base-Base interactions energy: -1106.132 where: short stacking energy: -489.500 Base-Backbone interact. energy: -0.767 local terms energy: -543.484959 where: bonds (distance) C4'-P energy: -125.031 bonds (distance) P-C4' energy: -119.985 flat angles C4'-P-C4' energy: -107.314 flat angles P-C4'-P energy: -77.121 tors. eta vs tors. theta energy: -114.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1478.227068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.227068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.227068 (E_RNA) where: Base-Base interactions energy: -958.435 where: short stacking energy: -428.067 Base-Backbone interact. energy: -0.625 local terms energy: -519.167027 where: bonds (distance) C4'-P energy: -106.515 bonds (distance) P-C4' energy: -108.585 flat angles C4'-P-C4' energy: -131.144 flat angles P-C4'-P energy: -69.560 tors. eta vs tors. theta energy: -103.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -1459.788254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.788254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.788254 (E_RNA) where: Base-Base interactions energy: -938.950 where: short stacking energy: -404.315 Base-Backbone interact. energy: -0.461 local terms energy: -520.377325 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -126.153 flat angles C4'-P-C4' energy: -120.917 flat angles P-C4'-P energy: -70.833 tors. eta vs tors. theta energy: -95.302 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: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1223.822770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.822770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.822770 (E_RNA) where: Base-Base interactions energy: -769.345 where: short stacking energy: -359.568 Base-Backbone interact. energy: -2.880 local terms energy: -451.598239 where: bonds (distance) C4'-P energy: -107.198 bonds (distance) P-C4' energy: -103.840 flat angles C4'-P-C4' energy: -101.342 flat angles P-C4'-P energy: -74.002 tors. eta vs tors. theta energy: -65.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -2446.161117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.161117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.161117 (E_RNA) where: Base-Base interactions energy: -1678.005 where: short stacking energy: -733.655 Base-Backbone interact. energy: -3.762 local terms energy: -764.394931 where: bonds (distance) C4'-P energy: -127.953 bonds (distance) P-C4' energy: -141.288 flat angles C4'-P-C4' energy: -149.075 flat angles P-C4'-P energy: -111.323 tors. eta vs tors. theta energy: -234.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -2387.135088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.135088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.135088 (E_RNA) where: Base-Base interactions energy: -1632.605 where: short stacking energy: -703.284 Base-Backbone interact. energy: -1.235 local terms energy: -753.295652 where: bonds (distance) C4'-P energy: -134.977 bonds (distance) P-C4' energy: -125.860 flat angles C4'-P-C4' energy: -160.473 flat angles P-C4'-P energy: -116.182 tors. eta vs tors. theta energy: -215.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -2305.669463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.669463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.669463 (E_RNA) where: Base-Base interactions energy: -1607.216 where: short stacking energy: -678.015 Base-Backbone interact. energy: -2.159 local terms energy: -696.294699 where: bonds (distance) C4'-P energy: -114.230 bonds (distance) P-C4' energy: -125.765 flat angles C4'-P-C4' energy: -147.380 flat angles P-C4'-P energy: -98.449 tors. eta vs tors. theta energy: -210.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -2195.075225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.075225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.075225 (E_RNA) where: Base-Base interactions energy: -1539.819 where: short stacking energy: -664.538 Base-Backbone interact. energy: 0.387 local terms energy: -655.643778 where: bonds (distance) C4'-P energy: -117.558 bonds (distance) P-C4' energy: -125.414 flat angles C4'-P-C4' energy: -132.112 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: -188.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -2129.718552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.718552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.718552 (E_RNA) where: Base-Base interactions energy: -1465.440 where: short stacking energy: -627.016 Base-Backbone interact. energy: -2.298 local terms energy: -661.979959 where: bonds (distance) C4'-P energy: -116.950 bonds (distance) P-C4' energy: -112.939 flat angles C4'-P-C4' energy: -142.736 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -197.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1865.551601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.551601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.551601 (E_RNA) where: Base-Base interactions energy: -1252.470 where: short stacking energy: -582.878 Base-Backbone interact. energy: -4.337 local terms energy: -608.743914 where: bonds (distance) C4'-P energy: -104.340 bonds (distance) P-C4' energy: -124.924 flat angles C4'-P-C4' energy: -131.620 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -163.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1673.166755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.166755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.166755 (E_RNA) where: Base-Base interactions energy: -1078.054 where: short stacking energy: -482.733 Base-Backbone interact. energy: -2.956 local terms energy: -592.157087 where: bonds (distance) C4'-P energy: -124.022 bonds (distance) P-C4' energy: -113.645 flat angles C4'-P-C4' energy: -125.455 flat angles P-C4'-P energy: -97.229 tors. eta vs tors. theta energy: -131.806 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1514.644290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.644290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.644290 (E_RNA) where: Base-Base interactions energy: -1017.117 where: short stacking energy: -439.753 Base-Backbone interact. energy: 0.054 local terms energy: -497.580464 where: bonds (distance) C4'-P energy: -114.275 bonds (distance) P-C4' energy: -115.225 flat angles C4'-P-C4' energy: -97.346 flat angles P-C4'-P energy: -68.183 tors. eta vs tors. theta energy: -102.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -1324.435967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.435967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.435967 (E_RNA) where: Base-Base interactions energy: -871.760 where: short stacking energy: -386.000 Base-Backbone interact. energy: 5.530 local terms energy: -458.205777 where: bonds (distance) C4'-P energy: -112.835 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -101.987 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: -94.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -1184.749601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.749601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.749601 (E_RNA) where: Base-Base interactions energy: -751.979 where: short stacking energy: -364.584 Base-Backbone interact. energy: -0.951 local terms energy: -431.819471 where: bonds (distance) C4'-P energy: -90.085 bonds (distance) P-C4' energy: -110.524 flat angles C4'-P-C4' energy: -103.968 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -65.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -2444.509453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.509453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.509453 (E_RNA) where: Base-Base interactions energy: -1684.557 where: short stacking energy: -713.552 Base-Backbone interact. energy: -1.861 local terms energy: -758.090690 where: bonds (distance) C4'-P energy: -139.113 bonds (distance) P-C4' energy: -124.652 flat angles C4'-P-C4' energy: -143.775 flat angles P-C4'-P energy: -121.612 tors. eta vs tors. theta energy: -228.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2400.251852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.251852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.251852 (E_RNA) where: Base-Base interactions energy: -1664.140 where: short stacking energy: -717.956 Base-Backbone interact. energy: -2.306 local terms energy: -733.806404 where: bonds (distance) C4'-P energy: -131.075 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -156.541 flat angles P-C4'-P energy: -105.794 tors. eta vs tors. theta energy: -211.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -2323.426028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.426028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.426028 (E_RNA) where: Base-Base interactions energy: -1601.491 where: short stacking energy: -673.558 Base-Backbone interact. energy: -5.318 local terms energy: -716.616205 where: bonds (distance) C4'-P energy: -128.381 bonds (distance) P-C4' energy: -143.961 flat angles C4'-P-C4' energy: -137.571 flat angles P-C4'-P energy: -102.583 tors. eta vs tors. theta energy: -204.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -2246.787673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.787673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.787673 (E_RNA) where: Base-Base interactions energy: -1562.213 where: short stacking energy: -669.124 Base-Backbone interact. energy: -3.951 local terms energy: -680.622972 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -127.336 flat angles C4'-P-C4' energy: -149.225 flat angles P-C4'-P energy: -94.089 tors. eta vs tors. theta energy: -192.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -2056.999947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.999947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.999947 (E_RNA) where: Base-Base interactions energy: -1403.933 where: short stacking energy: -608.522 Base-Backbone interact. energy: -1.192 local terms energy: -651.874753 where: bonds (distance) C4'-P energy: -104.260 bonds (distance) P-C4' energy: -125.258 flat angles C4'-P-C4' energy: -139.892 flat angles P-C4'-P energy: -109.308 tors. eta vs tors. theta energy: -173.156 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: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1784.897304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.897304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.897304 (E_RNA) where: Base-Base interactions energy: -1198.691 where: short stacking energy: -536.950 Base-Backbone interact. energy: 1.875 local terms energy: -588.081394 where: bonds (distance) C4'-P energy: -124.048 bonds (distance) P-C4' energy: -108.252 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -78.305 tors. eta vs tors. theta energy: -135.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1666.917634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.917634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.917634 (E_RNA) where: Base-Base interactions energy: -1116.784 where: short stacking energy: -490.863 Base-Backbone interact. energy: -2.756 local terms energy: -547.377350 where: bonds (distance) C4'-P energy: -119.537 bonds (distance) P-C4' energy: -112.134 flat angles C4'-P-C4' energy: -132.917 flat angles P-C4'-P energy: -55.186 tors. eta vs tors. theta energy: -127.604 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1507.347545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.347545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.347545 (E_RNA) where: Base-Base interactions energy: -1013.756 where: short stacking energy: -464.447 Base-Backbone interact. energy: -0.410 local terms energy: -493.181751 where: bonds (distance) C4'-P energy: -94.201 bonds (distance) P-C4' energy: -115.051 flat angles C4'-P-C4' energy: -111.339 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -113.558 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: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1356.917295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.917295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.917295 (E_RNA) where: Base-Base interactions energy: -889.853 where: short stacking energy: -393.400 Base-Backbone interact. energy: -1.577 local terms energy: -465.487289 where: bonds (distance) C4'-P energy: -113.876 bonds (distance) P-C4' energy: -101.273 flat angles C4'-P-C4' energy: -104.728 flat angles P-C4'-P energy: -52.001 tors. eta vs tors. theta energy: -93.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1148.521505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.521505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.521505 (E_RNA) where: Base-Base interactions energy: -732.633 where: short stacking energy: -359.419 Base-Backbone interact. energy: -0.947 local terms energy: -414.941243 where: bonds (distance) C4'-P energy: -95.323 bonds (distance) P-C4' energy: -92.302 flat angles C4'-P-C4' energy: -102.530 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -65.581 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: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2455.494773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.494773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.494773 (E_RNA) where: Base-Base interactions energy: -1692.931 where: short stacking energy: -715.897 Base-Backbone interact. energy: -2.139 local terms energy: -760.425516 where: bonds (distance) C4'-P energy: -141.944 bonds (distance) P-C4' energy: -146.384 flat angles C4'-P-C4' energy: -153.245 flat angles P-C4'-P energy: -105.063 tors. eta vs tors. theta energy: -213.790 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -2356.092493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.092493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.092493 (E_RNA) where: Base-Base interactions energy: -1647.095 where: short stacking energy: -718.724 Base-Backbone interact. energy: -3.507 local terms energy: -705.490105 where: bonds (distance) C4'-P energy: -124.971 bonds (distance) P-C4' energy: -119.505 flat angles C4'-P-C4' energy: -140.788 flat angles P-C4'-P energy: -99.827 tors. eta vs tors. theta energy: -220.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -2319.667417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.667417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.667417 (E_RNA) where: Base-Base interactions energy: -1606.426 where: short stacking energy: -668.185 Base-Backbone interact. energy: -1.720 local terms energy: -711.521780 where: bonds (distance) C4'-P energy: -143.422 bonds (distance) P-C4' energy: -140.178 flat angles C4'-P-C4' energy: -145.925 flat angles P-C4'-P energy: -78.916 tors. eta vs tors. theta energy: -203.080 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: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -2223.136514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.136514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.136514 (E_RNA) where: Base-Base interactions energy: -1542.336 where: short stacking energy: -674.006 Base-Backbone interact. energy: -2.279 local terms energy: -678.521619 where: bonds (distance) C4'-P energy: -124.714 bonds (distance) P-C4' energy: -118.047 flat angles C4'-P-C4' energy: -138.780 flat angles P-C4'-P energy: -89.446 tors. eta vs tors. theta energy: -207.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -2067.330726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.330726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.330726 (E_RNA) where: Base-Base interactions energy: -1443.246 where: short stacking energy: -590.119 Base-Backbone interact. energy: -2.770 local terms energy: -621.314783 where: bonds (distance) C4'-P energy: -115.331 bonds (distance) P-C4' energy: -114.886 flat angles C4'-P-C4' energy: -151.918 flat angles P-C4'-P energy: -85.151 tors. eta vs tors. theta energy: -154.029 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: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1830.667220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.667220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.667220 (E_RNA) where: Base-Base interactions energy: -1242.359 where: short stacking energy: -529.815 Base-Backbone interact. energy: -0.594 local terms energy: -587.713853 where: bonds (distance) C4'-P energy: -116.705 bonds (distance) P-C4' energy: -104.294 flat angles C4'-P-C4' energy: -130.368 flat angles P-C4'-P energy: -92.445 tors. eta vs tors. theta energy: -143.901 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: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1669.743006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.743006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.743006 (E_RNA) where: Base-Base interactions energy: -1091.886 where: short stacking energy: -484.348 Base-Backbone interact. energy: -1.150 local terms energy: -576.707259 where: bonds (distance) C4'-P energy: -106.377 bonds (distance) P-C4' energy: -126.204 flat angles C4'-P-C4' energy: -127.985 flat angles P-C4'-P energy: -72.109 tors. eta vs tors. theta energy: -144.032 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: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1548.642292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.642292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.642292 (E_RNA) where: Base-Base interactions energy: -1019.466 where: short stacking energy: -449.329 Base-Backbone interact. energy: -0.872 local terms energy: -528.304067 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -112.774 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -74.199 tors. eta vs tors. theta energy: -91.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1388.108839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.108839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.108839 (E_RNA) where: Base-Base interactions energy: -900.170 where: short stacking energy: -432.495 Base-Backbone interact. energy: -1.629 local terms energy: -486.310150 where: bonds (distance) C4'-P energy: -97.484 bonds (distance) P-C4' energy: -107.103 flat angles C4'-P-C4' energy: -116.419 flat angles P-C4'-P energy: -63.419 tors. eta vs tors. theta energy: -101.886 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: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1127.355114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.355114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.355114 (E_RNA) where: Base-Base interactions energy: -697.479 where: short stacking energy: -323.898 Base-Backbone interact. energy: 3.683 local terms energy: -433.558870 where: bonds (distance) C4'-P energy: -94.926 bonds (distance) P-C4' energy: -102.288 flat angles C4'-P-C4' energy: -115.315 flat angles P-C4'-P energy: -68.767 tors. eta vs tors. theta energy: -52.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2452.099896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.099896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.099896 (E_RNA) where: Base-Base interactions energy: -1712.504 where: short stacking energy: -725.761 Base-Backbone interact. energy: -2.982 local terms energy: -736.614249 where: bonds (distance) C4'-P energy: -128.935 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -147.350 flat angles P-C4'-P energy: -98.457 tors. eta vs tors. theta energy: -226.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2391.637185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.637185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.637185 (E_RNA) where: Base-Base interactions energy: -1660.521 where: short stacking energy: -702.770 Base-Backbone interact. energy: -0.850 local terms energy: -730.266105 where: bonds (distance) C4'-P energy: -137.198 bonds (distance) P-C4' energy: -137.865 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -207.419 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: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -2326.026837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.026837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.026837 (E_RNA) where: Base-Base interactions energy: -1620.764 where: short stacking energy: -697.095 Base-Backbone interact. energy: -0.864 local terms energy: -704.398595 where: bonds (distance) C4'-P energy: -118.624 bonds (distance) P-C4' energy: -129.137 flat angles C4'-P-C4' energy: -147.999 flat angles P-C4'-P energy: -90.006 tors. eta vs tors. theta energy: -218.632 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: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -2199.991823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.991823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.991823 (E_RNA) where: Base-Base interactions energy: -1514.017 where: short stacking energy: -644.105 Base-Backbone interact. energy: -0.810 local terms energy: -685.165029 where: bonds (distance) C4'-P energy: -120.057 bonds (distance) P-C4' energy: -131.824 flat angles C4'-P-C4' energy: -152.988 flat angles P-C4'-P energy: -94.228 tors. eta vs tors. theta energy: -186.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -2073.270341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.270341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.270341 (E_RNA) where: Base-Base interactions energy: -1421.418 where: short stacking energy: -607.771 Base-Backbone interact. energy: -1.830 local terms energy: -650.022331 where: bonds (distance) C4'-P energy: -113.332 bonds (distance) P-C4' energy: -136.299 flat angles C4'-P-C4' energy: -139.031 flat angles P-C4'-P energy: -77.805 tors. eta vs tors. theta energy: -183.555 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: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -2014.540823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.540823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.540823 (E_RNA) where: Base-Base interactions energy: -1366.109 where: short stacking energy: -586.107 Base-Backbone interact. energy: -1.916 local terms energy: -646.516027 where: bonds (distance) C4'-P energy: -127.508 bonds (distance) P-C4' energy: -136.878 flat angles C4'-P-C4' energy: -126.222 flat angles P-C4'-P energy: -85.313 tors. eta vs tors. theta energy: -170.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1705.396143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.396143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.396143 (E_RNA) where: Base-Base interactions energy: -1115.462 where: short stacking energy: -494.326 Base-Backbone interact. energy: -2.988 local terms energy: -586.945414 where: bonds (distance) C4'-P energy: -116.052 bonds (distance) P-C4' energy: -109.385 flat angles C4'-P-C4' energy: -122.457 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -155.224 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: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1563.634914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.634914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.634914 (E_RNA) where: Base-Base interactions energy: -1042.809 where: short stacking energy: -415.665 Base-Backbone interact. energy: -1.554 local terms energy: -519.272141 where: bonds (distance) C4'-P energy: -117.265 bonds (distance) P-C4' energy: -117.208 flat angles C4'-P-C4' energy: -113.634 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -107.162 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: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1420.396926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.396926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.396926 (E_RNA) where: Base-Base interactions energy: -924.552 where: short stacking energy: -390.293 Base-Backbone interact. energy: 0.487 local terms energy: -496.331431 where: bonds (distance) C4'-P energy: -131.726 bonds (distance) P-C4' energy: -99.685 flat angles C4'-P-C4' energy: -121.528 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -85.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1116.193702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.193702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.193702 (E_RNA) where: Base-Base interactions energy: -691.589 where: short stacking energy: -337.541 Base-Backbone interact. energy: -1.845 local terms energy: -422.759872 where: bonds (distance) C4'-P energy: -107.919 bonds (distance) P-C4' energy: -104.462 flat angles C4'-P-C4' energy: -93.779 flat angles P-C4'-P energy: -58.569 tors. eta vs tors. theta energy: -58.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2457.486351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.486351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.486351 (E_RNA) where: Base-Base interactions energy: -1691.965 where: short stacking energy: -751.862 Base-Backbone interact. energy: -0.376 local terms energy: -765.145203 where: bonds (distance) C4'-P energy: -135.515 bonds (distance) P-C4' energy: -147.444 flat angles C4'-P-C4' energy: -156.577 flat angles P-C4'-P energy: -101.888 tors. eta vs tors. theta energy: -223.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -2416.932361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.932361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.932361 (E_RNA) where: Base-Base interactions energy: -1689.023 where: short stacking energy: -736.143 Base-Backbone interact. energy: -0.449 local terms energy: -727.460486 where: bonds (distance) C4'-P energy: -127.173 bonds (distance) P-C4' energy: -120.783 flat angles C4'-P-C4' energy: -156.983 flat angles P-C4'-P energy: -104.337 tors. eta vs tors. theta energy: -218.185 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2322.844087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.844087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.844087 (E_RNA) where: Base-Base interactions energy: -1614.969 where: short stacking energy: -676.493 Base-Backbone interact. energy: -2.385 local terms energy: -705.489929 where: bonds (distance) C4'-P energy: -126.249 bonds (distance) P-C4' energy: -122.185 flat angles C4'-P-C4' energy: -141.076 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -216.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -2252.466485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.466485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.466485 (E_RNA) where: Base-Base interactions energy: -1576.894 where: short stacking energy: -695.177 Base-Backbone interact. energy: -0.728 local terms energy: -674.845136 where: bonds (distance) C4'-P energy: -117.041 bonds (distance) P-C4' energy: -116.904 flat angles C4'-P-C4' energy: -147.570 flat angles P-C4'-P energy: -81.373 tors. eta vs tors. theta energy: -211.957 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: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -2038.393369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.393369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.393369 (E_RNA) where: Base-Base interactions energy: -1413.740 where: short stacking energy: -589.054 Base-Backbone interact. energy: 0.329 local terms energy: -624.982698 where: bonds (distance) C4'-P energy: -109.182 bonds (distance) P-C4' energy: -118.410 flat angles C4'-P-C4' energy: -132.518 flat angles P-C4'-P energy: -89.489 tors. eta vs tors. theta energy: -175.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -2004.365966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.365966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.365966 (E_RNA) where: Base-Base interactions energy: -1408.454 where: short stacking energy: -604.963 Base-Backbone interact. energy: -3.524 local terms energy: -592.388868 where: bonds (distance) C4'-P energy: -113.205 bonds (distance) P-C4' energy: -122.348 flat angles C4'-P-C4' energy: -110.538 flat angles P-C4'-P energy: -79.330 tors. eta vs tors. theta energy: -166.967 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: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1605.006375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.006375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.006375 (E_RNA) where: Base-Base interactions energy: -1071.571 where: short stacking energy: -477.330 Base-Backbone interact. energy: 1.704 local terms energy: -535.139475 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -103.836 flat angles C4'-P-C4' energy: -126.043 flat angles P-C4'-P energy: -65.749 tors. eta vs tors. theta energy: -116.283 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: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1526.592001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.592001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.592001 (E_RNA) where: Base-Base interactions energy: -999.070 where: short stacking energy: -436.146 Base-Backbone interact. energy: -0.011 local terms energy: -527.511867 where: bonds (distance) C4'-P energy: -105.370 bonds (distance) P-C4' energy: -110.038 flat angles C4'-P-C4' energy: -127.930 flat angles P-C4'-P energy: -78.759 tors. eta vs tors. theta energy: -105.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1415.681473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.681473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.681473 (E_RNA) where: Base-Base interactions energy: -940.808 where: short stacking energy: -416.837 Base-Backbone interact. energy: 1.602 local terms energy: -476.475463 where: bonds (distance) C4'-P energy: -97.340 bonds (distance) P-C4' energy: -116.420 flat angles C4'-P-C4' energy: -100.658 flat angles P-C4'-P energy: -71.078 tors. eta vs tors. theta energy: -90.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1196.748022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.748022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.748022 (E_RNA) where: Base-Base interactions energy: -748.518 where: short stacking energy: -336.384 Base-Backbone interact. energy: -2.017 local terms energy: -446.212606 where: bonds (distance) C4'-P energy: -118.661 bonds (distance) P-C4' energy: -91.250 flat angles C4'-P-C4' energy: -112.910 flat angles P-C4'-P energy: -66.747 tors. eta vs tors. theta energy: -56.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2450.770715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.770715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.770715 (E_RNA) where: Base-Base interactions energy: -1691.683 where: short stacking energy: -731.415 Base-Backbone interact. energy: -1.647 local terms energy: -757.441155 where: bonds (distance) C4'-P energy: -128.608 bonds (distance) P-C4' energy: -133.601 flat angles C4'-P-C4' energy: -160.255 flat angles P-C4'-P energy: -109.655 tors. eta vs tors. theta energy: -225.322 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: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2436.352886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.352886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.352886 (E_RNA) where: Base-Base interactions energy: -1719.733 where: short stacking energy: -697.084 Base-Backbone interact. energy: -0.587 local terms energy: -716.032589 where: bonds (distance) C4'-P energy: -132.357 bonds (distance) P-C4' energy: -127.582 flat angles C4'-P-C4' energy: -144.949 flat angles P-C4'-P energy: -97.755 tors. eta vs tors. theta energy: -213.390 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: 15 Temperature: 1.000000 Total energy: -2354.362748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.362748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.362748 (E_RNA) where: Base-Base interactions energy: -1650.199 where: short stacking energy: -717.575 Base-Backbone interact. energy: -2.333 local terms energy: -701.830421 where: bonds (distance) C4'-P energy: -123.815 bonds (distance) P-C4' energy: -129.228 flat angles C4'-P-C4' energy: -139.097 flat angles P-C4'-P energy: -95.784 tors. eta vs tors. theta energy: -213.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -2231.524757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.524757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.524757 (E_RNA) where: Base-Base interactions energy: -1548.252 where: short stacking energy: -672.940 Base-Backbone interact. energy: -2.042 local terms energy: -681.230807 where: bonds (distance) C4'-P energy: -123.042 bonds (distance) P-C4' energy: -109.762 flat angles C4'-P-C4' energy: -143.122 flat angles P-C4'-P energy: -102.080 tors. eta vs tors. theta energy: -203.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1999.842609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.842609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.842609 (E_RNA) where: Base-Base interactions energy: -1390.399 where: short stacking energy: -572.293 Base-Backbone interact. energy: -5.118 local terms energy: -604.325105 where: bonds (distance) C4'-P energy: -94.124 bonds (distance) P-C4' energy: -120.519 flat angles C4'-P-C4' energy: -129.658 flat angles P-C4'-P energy: -100.446 tors. eta vs tors. theta energy: -159.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1975.862873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.862873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.862873 (E_RNA) where: Base-Base interactions energy: -1345.594 where: short stacking energy: -555.658 Base-Backbone interact. energy: -4.023 local terms energy: -626.246567 where: bonds (distance) C4'-P energy: -116.601 bonds (distance) P-C4' energy: -118.880 flat angles C4'-P-C4' energy: -117.482 flat angles P-C4'-P energy: -98.991 tors. eta vs tors. theta energy: -174.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1581.585252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.585252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.585252 (E_RNA) where: Base-Base interactions energy: -1028.338 where: short stacking energy: -478.078 Base-Backbone interact. energy: -1.183 local terms energy: -552.064142 where: bonds (distance) C4'-P energy: -114.678 bonds (distance) P-C4' energy: -117.582 flat angles C4'-P-C4' energy: -115.362 flat angles P-C4'-P energy: -83.342 tors. eta vs tors. theta energy: -121.100 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: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1556.124535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.124535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.124535 (E_RNA) where: Base-Base interactions energy: -1041.203 where: short stacking energy: -449.784 Base-Backbone interact. energy: -2.452 local terms energy: -512.469393 where: bonds (distance) C4'-P energy: -98.214 bonds (distance) P-C4' energy: -112.368 flat angles C4'-P-C4' energy: -126.603 flat angles P-C4'-P energy: -66.621 tors. eta vs tors. theta energy: -108.664 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: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1421.110348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.110348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.110348 (E_RNA) where: Base-Base interactions energy: -912.923 where: short stacking energy: -400.516 Base-Backbone interact. energy: -3.462 local terms energy: -504.724843 where: bonds (distance) C4'-P energy: -104.095 bonds (distance) P-C4' energy: -115.860 flat angles C4'-P-C4' energy: -119.296 flat angles P-C4'-P energy: -75.673 tors. eta vs tors. theta energy: -89.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1220.125387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.125387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.125387 (E_RNA) where: Base-Base interactions energy: -751.599 where: short stacking energy: -338.706 Base-Backbone interact. energy: 1.718 local terms energy: -470.244495 where: bonds (distance) C4'-P energy: -106.803 bonds (distance) P-C4' energy: -96.901 flat angles C4'-P-C4' energy: -128.103 flat angles P-C4'-P energy: -69.233 tors. eta vs tors. theta energy: -69.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2466.958542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.958542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.958542 (E_RNA) where: Base-Base interactions energy: -1705.585 where: short stacking energy: -724.428 Base-Backbone interact. energy: -0.397 local terms energy: -760.976124 where: bonds (distance) C4'-P energy: -133.233 bonds (distance) P-C4' energy: -145.517 flat angles C4'-P-C4' energy: -151.984 flat angles P-C4'-P energy: -107.796 tors. eta vs tors. theta energy: -222.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2429.821637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.821637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.821637 (E_RNA) where: Base-Base interactions energy: -1713.171 where: short stacking energy: -720.139 Base-Backbone interact. energy: -0.715 local terms energy: -715.934993 where: bonds (distance) C4'-P energy: -141.431 bonds (distance) P-C4' energy: -116.198 flat angles C4'-P-C4' energy: -150.662 flat angles P-C4'-P energy: -93.904 tors. eta vs tors. theta energy: -213.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2325.654998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.654998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.654998 (E_RNA) where: Base-Base interactions energy: -1617.329 where: short stacking energy: -681.138 Base-Backbone interact. energy: 1.671 local terms energy: -709.997000 where: bonds (distance) C4'-P energy: -124.963 bonds (distance) P-C4' energy: -125.126 flat angles C4'-P-C4' energy: -148.691 flat angles P-C4'-P energy: -100.630 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: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -2244.626588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.626588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.626588 (E_RNA) where: Base-Base interactions energy: -1515.503 where: short stacking energy: -676.143 Base-Backbone interact. energy: -2.285 local terms energy: -726.838838 where: bonds (distance) C4'-P energy: -130.974 bonds (distance) P-C4' energy: -133.145 flat angles C4'-P-C4' energy: -148.807 flat angles P-C4'-P energy: -99.758 tors. eta vs tors. theta energy: -214.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -2029.550089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.550089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.550089 (E_RNA) where: Base-Base interactions energy: -1403.361 where: short stacking energy: -575.253 Base-Backbone interact. energy: -0.682 local terms energy: -625.506894 where: bonds (distance) C4'-P energy: -117.197 bonds (distance) P-C4' energy: -120.201 flat angles C4'-P-C4' energy: -144.608 flat angles P-C4'-P energy: -85.966 tors. eta vs tors. theta energy: -157.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1957.465003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.465003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.465003 (E_RNA) where: Base-Base interactions energy: -1329.754 where: short stacking energy: -545.853 Base-Backbone interact. energy: -3.385 local terms energy: -624.325763 where: bonds (distance) C4'-P energy: -120.827 bonds (distance) P-C4' energy: -130.692 flat angles C4'-P-C4' energy: -129.986 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: -152.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1578.710846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.710846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.710846 (E_RNA) where: Base-Base interactions energy: -1020.959 where: short stacking energy: -451.671 Base-Backbone interact. energy: -2.633 local terms energy: -555.118641 where: bonds (distance) C4'-P energy: -121.853 bonds (distance) P-C4' energy: -118.554 flat angles C4'-P-C4' energy: -129.373 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -105.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1539.259425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.259425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.259425 (E_RNA) where: Base-Base interactions energy: -1004.058 where: short stacking energy: -470.801 Base-Backbone interact. energy: -0.837 local terms energy: -534.364424 where: bonds (distance) C4'-P energy: -117.988 bonds (distance) P-C4' energy: -107.358 flat angles C4'-P-C4' energy: -119.744 flat angles P-C4'-P energy: -84.828 tors. eta vs tors. theta energy: -104.448 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: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1363.775360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.775360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.775360 (E_RNA) where: Base-Base interactions energy: -868.708 where: short stacking energy: -365.501 Base-Backbone interact. energy: -1.243 local terms energy: -493.824896 where: bonds (distance) C4'-P energy: -104.190 bonds (distance) P-C4' energy: -117.917 flat angles C4'-P-C4' energy: -101.593 flat angles P-C4'-P energy: -81.653 tors. eta vs tors. theta energy: -88.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1206.140850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.140850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.140850 (E_RNA) where: Base-Base interactions energy: -777.805 where: short stacking energy: -357.872 Base-Backbone interact. energy: 1.834 local terms energy: -430.170511 where: bonds (distance) C4'-P energy: -82.356 bonds (distance) P-C4' energy: -108.359 flat angles C4'-P-C4' energy: -97.057 flat angles P-C4'-P energy: -78.022 tors. eta vs tors. theta energy: -64.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2484.884303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.884303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.884303 (E_RNA) where: Base-Base interactions energy: -1734.697 where: short stacking energy: -729.962 Base-Backbone interact. energy: -1.680 local terms energy: -748.507313 where: bonds (distance) C4'-P energy: -136.985 bonds (distance) P-C4' energy: -123.394 flat angles C4'-P-C4' energy: -147.685 flat angles P-C4'-P energy: -115.965 tors. eta vs tors. theta energy: -224.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2404.691429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.691429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.691429 (E_RNA) where: Base-Base interactions energy: -1696.339 where: short stacking energy: -698.728 Base-Backbone interact. energy: -1.111 local terms energy: -707.240788 where: bonds (distance) C4'-P energy: -125.936 bonds (distance) P-C4' energy: -140.136 flat angles C4'-P-C4' energy: -147.950 flat angles P-C4'-P energy: -88.978 tors. eta vs tors. theta energy: -204.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -2326.938243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.938243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.938243 (E_RNA) where: Base-Base interactions energy: -1661.647 where: short stacking energy: -699.655 Base-Backbone interact. energy: -2.657 local terms energy: -662.633687 where: bonds (distance) C4'-P energy: -98.633 bonds (distance) P-C4' energy: -117.223 flat angles C4'-P-C4' energy: -141.476 flat angles P-C4'-P energy: -95.276 tors. eta vs tors. theta energy: -210.025 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: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2238.817080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.817080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.817080 (E_RNA) where: Base-Base interactions energy: -1515.123 where: short stacking energy: -678.816 Base-Backbone interact. energy: 6.264 local terms energy: -729.957574 where: bonds (distance) C4'-P energy: -130.900 bonds (distance) P-C4' energy: -133.963 flat angles C4'-P-C4' energy: -148.118 flat angles P-C4'-P energy: -106.994 tors. eta vs tors. theta energy: -209.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -2031.426234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.426234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.426234 (E_RNA) where: Base-Base interactions energy: -1377.217 where: short stacking energy: -621.441 Base-Backbone interact. energy: -2.284 local terms energy: -651.924558 where: bonds (distance) C4'-P energy: -118.712 bonds (distance) P-C4' energy: -118.368 flat angles C4'-P-C4' energy: -137.375 flat angles P-C4'-P energy: -85.913 tors. eta vs tors. theta energy: -191.556 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: 17 Temperature: 1.150000 Total energy: -1994.230902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.230902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.230902 (E_RNA) where: Base-Base interactions energy: -1384.203 where: short stacking energy: -585.279 Base-Backbone interact. energy: 2.333 local terms energy: -612.361183 where: bonds (distance) C4'-P energy: -124.168 bonds (distance) P-C4' energy: -127.245 flat angles C4'-P-C4' energy: -129.964 flat angles P-C4'-P energy: -79.925 tors. eta vs tors. theta energy: -151.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1576.757206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.757206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.757206 (E_RNA) where: Base-Base interactions energy: -1031.558 where: short stacking energy: -480.666 Base-Backbone interact. energy: 2.698 local terms energy: -547.897090 where: bonds (distance) C4'-P energy: -108.757 bonds (distance) P-C4' energy: -122.830 flat angles C4'-P-C4' energy: -123.012 flat angles P-C4'-P energy: -68.752 tors. eta vs tors. theta energy: -124.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1518.440007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.440007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.440007 (E_RNA) where: Base-Base interactions energy: -979.385 where: short stacking energy: -426.102 Base-Backbone interact. energy: -3.169 local terms energy: -535.886013 where: bonds (distance) C4'-P energy: -118.175 bonds (distance) P-C4' energy: -106.619 flat angles C4'-P-C4' energy: -127.324 flat angles P-C4'-P energy: -82.071 tors. eta vs tors. theta energy: -101.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1393.677374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.677374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.677374 (E_RNA) where: Base-Base interactions energy: -883.332 where: short stacking energy: -387.079 Base-Backbone interact. energy: -0.782 local terms energy: -509.562946 where: bonds (distance) C4'-P energy: -109.885 bonds (distance) P-C4' energy: -118.860 flat angles C4'-P-C4' energy: -109.213 flat angles P-C4'-P energy: -78.883 tors. eta vs tors. theta energy: -92.723 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: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1256.966288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.966288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.966288 (E_RNA) where: Base-Base interactions energy: -806.540 where: short stacking energy: -377.224 Base-Backbone interact. energy: -0.113 local terms energy: -450.313518 where: bonds (distance) C4'-P energy: -105.808 bonds (distance) P-C4' energy: -106.759 flat angles C4'-P-C4' energy: -110.354 flat angles P-C4'-P energy: -44.464 tors. eta vs tors. theta energy: -82.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2478.418132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.418132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.418132 (E_RNA) where: Base-Base interactions energy: -1720.548 where: short stacking energy: -723.459 Base-Backbone interact. energy: -3.515 local terms energy: -754.354822 where: bonds (distance) C4'-P energy: -134.929 bonds (distance) P-C4' energy: -132.322 flat angles C4'-P-C4' energy: -158.859 flat angles P-C4'-P energy: -105.747 tors. eta vs tors. theta energy: -222.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2365.024506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.024506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.024506 (E_RNA) where: Base-Base interactions energy: -1662.190 where: short stacking energy: -693.841 Base-Backbone interact. energy: -1.615 local terms energy: -701.219345 where: bonds (distance) C4'-P energy: -129.447 bonds (distance) P-C4' energy: -141.562 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -81.849 tors. eta vs tors. theta energy: -200.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2316.989939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.989939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.989939 (E_RNA) where: Base-Base interactions energy: -1623.961 where: short stacking energy: -688.293 Base-Backbone interact. energy: -4.022 local terms energy: -689.006353 where: bonds (distance) C4'-P energy: -105.907 bonds (distance) P-C4' energy: -122.511 flat angles C4'-P-C4' energy: -148.555 flat angles P-C4'-P energy: -98.703 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: 4, replica: 6 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -2262.119513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.119513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.119513 (E_RNA) where: Base-Base interactions energy: -1568.111 where: short stacking energy: -688.204 Base-Backbone interact. energy: -0.795 local terms energy: -693.213944 where: bonds (distance) C4'-P energy: -115.503 bonds (distance) P-C4' energy: -116.297 flat angles C4'-P-C4' energy: -154.146 flat angles P-C4'-P energy: -91.961 tors. eta vs tors. theta energy: -215.307 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: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -2003.671229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.671229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.671229 (E_RNA) where: Base-Base interactions energy: -1354.530 where: short stacking energy: -603.288 Base-Backbone interact. energy: -1.078 local terms energy: -648.063912 where: bonds (distance) C4'-P energy: -118.428 bonds (distance) P-C4' energy: -107.881 flat angles C4'-P-C4' energy: -147.790 flat angles P-C4'-P energy: -86.588 tors. eta vs tors. theta energy: -187.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -2033.355452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.355452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.355452 (E_RNA) where: Base-Base interactions energy: -1385.833 where: short stacking energy: -606.024 Base-Backbone interact. energy: -1.765 local terms energy: -645.757548 where: bonds (distance) C4'-P energy: -110.915 bonds (distance) P-C4' energy: -118.678 flat angles C4'-P-C4' energy: -142.012 flat angles P-C4'-P energy: -86.275 tors. eta vs tors. theta energy: -187.877 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: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1615.183641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.183641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.183641 (E_RNA) where: Base-Base interactions energy: -1101.339 where: short stacking energy: -492.997 Base-Backbone interact. energy: 2.840 local terms energy: -516.684524 where: bonds (distance) C4'-P energy: -91.866 bonds (distance) P-C4' energy: -107.398 flat angles C4'-P-C4' energy: -122.986 flat angles P-C4'-P energy: -76.946 tors. eta vs tors. theta energy: -117.489 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: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1497.461015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.461015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.461015 (E_RNA) where: Base-Base interactions energy: -953.260 where: short stacking energy: -443.078 Base-Backbone interact. energy: -0.671 local terms energy: -543.530483 where: bonds (distance) C4'-P energy: -109.586 bonds (distance) P-C4' energy: -100.157 flat angles C4'-P-C4' energy: -132.795 flat angles P-C4'-P energy: -89.063 tors. eta vs tors. theta energy: -111.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1378.430083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.430083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.430083 (E_RNA) where: Base-Base interactions energy: -907.817 where: short stacking energy: -396.921 Base-Backbone interact. energy: 0.953 local terms energy: -471.565749 where: bonds (distance) C4'-P energy: -99.464 bonds (distance) P-C4' energy: -121.781 flat angles C4'-P-C4' energy: -105.730 flat angles P-C4'-P energy: -71.797 tors. eta vs tors. theta energy: -72.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1185.872741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.872741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.872741 (E_RNA) where: Base-Base interactions energy: -773.261 where: short stacking energy: -332.248 Base-Backbone interact. energy: 10.050 local terms energy: -422.661572 where: bonds (distance) C4'-P energy: -114.230 bonds (distance) P-C4' energy: -94.373 flat angles C4'-P-C4' energy: -93.760 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -49.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2477.894993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.894993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.894993 (E_RNA) where: Base-Base interactions energy: -1716.330 where: short stacking energy: -737.194 Base-Backbone interact. energy: -2.573 local terms energy: -758.991529 where: bonds (distance) C4'-P energy: -140.750 bonds (distance) P-C4' energy: -138.140 flat angles C4'-P-C4' energy: -158.334 flat angles P-C4'-P energy: -102.759 tors. eta vs tors. theta energy: -219.009 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: 19 Temperature: 0.950000 Total energy: -2400.443727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.443727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.443727 (E_RNA) where: Base-Base interactions energy: -1693.774 where: short stacking energy: -728.572 Base-Backbone interact. energy: 5.002 local terms energy: -711.672047 where: bonds (distance) C4'-P energy: -125.602 bonds (distance) P-C4' energy: -132.735 flat angles C4'-P-C4' energy: -143.005 flat angles P-C4'-P energy: -98.860 tors. eta vs tors. theta energy: -211.470 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: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -2337.345636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.345636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.345636 (E_RNA) where: Base-Base interactions energy: -1632.229 where: short stacking energy: -679.004 Base-Backbone interact. energy: -1.254 local terms energy: -703.862519 where: bonds (distance) C4'-P energy: -139.928 bonds (distance) P-C4' energy: -114.741 flat angles C4'-P-C4' energy: -146.215 flat angles P-C4'-P energy: -92.549 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: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2256.243471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.243471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.243471 (E_RNA) where: Base-Base interactions energy: -1571.700 where: short stacking energy: -680.727 Base-Backbone interact. energy: -2.726 local terms energy: -681.816809 where: bonds (distance) C4'-P energy: -111.455 bonds (distance) P-C4' energy: -115.968 flat angles C4'-P-C4' energy: -151.648 flat angles P-C4'-P energy: -92.600 tors. eta vs tors. theta energy: -210.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1979.442292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.442292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.442292 (E_RNA) where: Base-Base interactions energy: -1359.314 where: short stacking energy: -582.273 Base-Backbone interact. energy: -1.716 local terms energy: -618.411922 where: bonds (distance) C4'-P energy: -125.589 bonds (distance) P-C4' energy: -120.358 flat angles C4'-P-C4' energy: -124.479 flat angles P-C4'-P energy: -90.180 tors. eta vs tors. theta energy: -157.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1965.029298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.029298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.029298 (E_RNA) where: Base-Base interactions energy: -1354.154 where: short stacking energy: -575.044 Base-Backbone interact. energy: -3.741 local terms energy: -607.133950 where: bonds (distance) C4'-P energy: -111.584 bonds (distance) P-C4' energy: -96.075 flat angles C4'-P-C4' energy: -149.335 flat angles P-C4'-P energy: -82.638 tors. eta vs tors. theta energy: -167.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1598.778332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.778332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.778332 (E_RNA) where: Base-Base interactions energy: -1015.346 where: short stacking energy: -469.715 Base-Backbone interact. energy: -0.220 local terms energy: -583.212836 where: bonds (distance) C4'-P energy: -118.912 bonds (distance) P-C4' energy: -124.143 flat angles C4'-P-C4' energy: -135.189 flat angles P-C4'-P energy: -73.165 tors. eta vs tors. theta energy: -131.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1565.308698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.308698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.308698 (E_RNA) where: Base-Base interactions energy: -1039.925 where: short stacking energy: -480.051 Base-Backbone interact. energy: -1.318 local terms energy: -524.066388 where: bonds (distance) C4'-P energy: -121.147 bonds (distance) P-C4' energy: -118.896 flat angles C4'-P-C4' energy: -111.403 flat angles P-C4'-P energy: -59.448 tors. eta vs tors. theta energy: -113.172 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: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1273.507325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.507325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.507325 (E_RNA) where: Base-Base interactions energy: -824.989 where: short stacking energy: -372.063 Base-Backbone interact. energy: 0.024 local terms energy: -448.542018 where: bonds (distance) C4'-P energy: -106.846 bonds (distance) P-C4' energy: -121.669 flat angles C4'-P-C4' energy: -101.081 flat angles P-C4'-P energy: -62.997 tors. eta vs tors. theta energy: -55.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1135.841338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.841338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.841338 (E_RNA) where: Base-Base interactions energy: -722.477 where: short stacking energy: -319.067 Base-Backbone interact. energy: 4.065 local terms energy: -417.429590 where: bonds (distance) C4'-P energy: -102.431 bonds (distance) P-C4' energy: -106.929 flat angles C4'-P-C4' energy: -93.349 flat angles P-C4'-P energy: -76.784 tors. eta vs tors. theta energy: -37.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2456.171371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.171371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.171371 (E_RNA) where: Base-Base interactions energy: -1701.832 where: short stacking energy: -741.904 Base-Backbone interact. energy: -3.378 local terms energy: -750.961231 where: bonds (distance) C4'-P energy: -131.729 bonds (distance) P-C4' energy: -133.451 flat angles C4'-P-C4' energy: -151.115 flat angles P-C4'-P energy: -108.490 tors. eta vs tors. theta energy: -226.177 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: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2396.475389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.475389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.475389 (E_RNA) where: Base-Base interactions energy: -1647.901 where: short stacking energy: -704.214 Base-Backbone interact. energy: 0.309 local terms energy: -748.883070 where: bonds (distance) C4'-P energy: -137.842 bonds (distance) P-C4' energy: -139.661 flat angles C4'-P-C4' energy: -155.255 flat angles P-C4'-P energy: -103.455 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: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2286.408839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.408839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.408839 (E_RNA) where: Base-Base interactions energy: -1583.640 where: short stacking energy: -660.850 Base-Backbone interact. energy: 1.123 local terms energy: -703.891110 where: bonds (distance) C4'-P energy: -129.139 bonds (distance) P-C4' energy: -114.094 flat angles C4'-P-C4' energy: -147.706 flat angles P-C4'-P energy: -109.899 tors. eta vs tors. theta energy: -203.053 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: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2289.361734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.361734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.361734 (E_RNA) where: Base-Base interactions energy: -1603.878 where: short stacking energy: -692.519 Base-Backbone interact. energy: -2.416 local terms energy: -683.068120 where: bonds (distance) C4'-P energy: -123.003 bonds (distance) P-C4' energy: -121.752 flat angles C4'-P-C4' energy: -148.542 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -203.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -2119.686725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.686725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.686725 (E_RNA) where: Base-Base interactions energy: -1457.867 where: short stacking energy: -612.292 Base-Backbone interact. energy: -2.983 local terms energy: -658.837280 where: bonds (distance) C4'-P energy: -117.640 bonds (distance) P-C4' energy: -120.454 flat angles C4'-P-C4' energy: -144.858 flat angles P-C4'-P energy: -93.109 tors. eta vs tors. theta energy: -182.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1955.285572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.285572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.285572 (E_RNA) where: Base-Base interactions energy: -1335.579 where: short stacking energy: -564.352 Base-Backbone interact. energy: -3.794 local terms energy: -615.912999 where: bonds (distance) C4'-P energy: -109.807 bonds (distance) P-C4' energy: -120.486 flat angles C4'-P-C4' energy: -136.300 flat angles P-C4'-P energy: -88.004 tors. eta vs tors. theta energy: -161.316 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: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1672.515812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.515812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.515812 (E_RNA) where: Base-Base interactions energy: -1115.103 where: short stacking energy: -533.418 Base-Backbone interact. energy: 1.021 local terms energy: -558.433620 where: bonds (distance) C4'-P energy: -112.798 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -133.592 flat angles P-C4'-P energy: -82.031 tors. eta vs tors. theta energy: -128.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1574.221709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.221709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.221709 (E_RNA) where: Base-Base interactions energy: -1038.203 where: short stacking energy: -453.942 Base-Backbone interact. energy: -1.762 local terms energy: -534.256751 where: bonds (distance) C4'-P energy: -101.597 bonds (distance) P-C4' energy: -90.545 flat angles C4'-P-C4' energy: -121.550 flat angles P-C4'-P energy: -90.659 tors. eta vs tors. theta energy: -129.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1369.280154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.280154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.280154 (E_RNA) where: Base-Base interactions energy: -881.751 where: short stacking energy: -359.525 Base-Backbone interact. energy: -3.133 local terms energy: -484.395896 where: bonds (distance) C4'-P energy: -110.870 bonds (distance) P-C4' energy: -110.158 flat angles C4'-P-C4' energy: -125.520 flat angles P-C4'-P energy: -62.081 tors. eta vs tors. theta energy: -75.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1078.041514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.041514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.041514 (E_RNA) where: Base-Base interactions energy: -653.450 where: short stacking energy: -294.443 Base-Backbone interact. energy: 4.962 local terms energy: -429.553285 where: bonds (distance) C4'-P energy: -121.947 bonds (distance) P-C4' energy: -106.655 flat angles C4'-P-C4' energy: -101.299 flat angles P-C4'-P energy: -51.753 tors. eta vs tors. theta energy: -47.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2466.048112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.048112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.048112 (E_RNA) where: Base-Base interactions energy: -1726.260 where: short stacking energy: -740.462 Base-Backbone interact. energy: 3.713 local terms energy: -743.500289 where: bonds (distance) C4'-P energy: -137.995 bonds (distance) P-C4' energy: -132.581 flat angles C4'-P-C4' energy: -141.471 flat angles P-C4'-P energy: -116.342 tors. eta vs tors. theta energy: -215.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2418.845263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.845263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.845263 (E_RNA) where: Base-Base interactions energy: -1677.811 where: short stacking energy: -711.344 Base-Backbone interact. energy: -2.833 local terms energy: -738.200715 where: bonds (distance) C4'-P energy: -127.338 bonds (distance) P-C4' energy: -133.412 flat angles C4'-P-C4' energy: -151.788 flat angles P-C4'-P energy: -108.423 tors. eta vs tors. theta energy: -217.239 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: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2310.136458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.136458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.136458 (E_RNA) where: Base-Base interactions energy: -1613.809 where: short stacking energy: -671.405 Base-Backbone interact. energy: -0.938 local terms energy: -695.389561 where: bonds (distance) C4'-P energy: -130.123 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -143.305 flat angles P-C4'-P energy: -97.969 tors. eta vs tors. theta energy: -189.936 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: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2280.564641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.564641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.564641 (E_RNA) where: Base-Base interactions energy: -1588.713 where: short stacking energy: -681.025 Base-Backbone interact. energy: -0.990 local terms energy: -690.861145 where: bonds (distance) C4'-P energy: -124.183 bonds (distance) P-C4' energy: -132.640 flat angles C4'-P-C4' energy: -153.788 flat angles P-C4'-P energy: -80.514 tors. eta vs tors. theta energy: -199.735 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: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -2137.206439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.206439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.206439 (E_RNA) where: Base-Base interactions energy: -1488.296 where: short stacking energy: -606.482 Base-Backbone interact. energy: -3.569 local terms energy: -645.342182 where: bonds (distance) C4'-P energy: -128.084 bonds (distance) P-C4' energy: -117.557 flat angles C4'-P-C4' energy: -138.640 flat angles P-C4'-P energy: -97.068 tors. eta vs tors. theta energy: -163.994 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: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1988.982241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.982241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.982241 (E_RNA) where: Base-Base interactions energy: -1382.696 where: short stacking energy: -591.023 Base-Backbone interact. energy: -2.458 local terms energy: -603.828783 where: bonds (distance) C4'-P energy: -107.226 bonds (distance) P-C4' energy: -121.942 flat angles C4'-P-C4' energy: -118.977 flat angles P-C4'-P energy: -78.513 tors. eta vs tors. theta energy: -177.171 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: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1597.311717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.311717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.311717 (E_RNA) where: Base-Base interactions energy: -1060.582 where: short stacking energy: -474.585 Base-Backbone interact. energy: 0.306 local terms energy: -537.036059 where: bonds (distance) C4'-P energy: -121.060 bonds (distance) P-C4' energy: -107.564 flat angles C4'-P-C4' energy: -104.925 flat angles P-C4'-P energy: -77.574 tors. eta vs tors. theta energy: -125.913 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: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1557.037946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.037946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.037946 (E_RNA) where: Base-Base interactions energy: -1039.471 where: short stacking energy: -481.219 Base-Backbone interact. energy: 4.613 local terms energy: -522.180415 where: bonds (distance) C4'-P energy: -102.842 bonds (distance) P-C4' energy: -108.660 flat angles C4'-P-C4' energy: -117.544 flat angles P-C4'-P energy: -68.957 tors. eta vs tors. theta energy: -124.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1381.304388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.304388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.304388 (E_RNA) where: Base-Base interactions energy: -919.480 where: short stacking energy: -409.774 Base-Backbone interact. energy: -0.240 local terms energy: -461.584365 where: bonds (distance) C4'-P energy: -103.833 bonds (distance) P-C4' energy: -92.850 flat angles C4'-P-C4' energy: -105.020 flat angles P-C4'-P energy: -67.795 tors. eta vs tors. theta energy: -92.088 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: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1074.351370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.351370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.351370 (E_RNA) where: Base-Base interactions energy: -664.613 where: short stacking energy: -307.170 Base-Backbone interact. energy: -1.713 local terms energy: -408.025288 where: bonds (distance) C4'-P energy: -90.992 bonds (distance) P-C4' energy: -99.780 flat angles C4'-P-C4' energy: -116.257 flat angles P-C4'-P energy: -57.763 tors. eta vs tors. theta energy: -43.233 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: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2460.578498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.578498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.578498 (E_RNA) where: Base-Base interactions energy: -1719.486 where: short stacking energy: -743.916 Base-Backbone interact. energy: 1.158 local terms energy: -742.249794 where: bonds (distance) C4'-P energy: -122.663 bonds (distance) P-C4' energy: -148.207 flat angles C4'-P-C4' energy: -151.213 flat angles P-C4'-P energy: -98.355 tors. eta vs tors. theta energy: -221.812 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: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2398.569378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.569378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.569378 (E_RNA) where: Base-Base interactions energy: -1662.397 where: short stacking energy: -709.126 Base-Backbone interact. energy: 3.331 local terms energy: -739.503109 where: bonds (distance) C4'-P energy: -124.661 bonds (distance) P-C4' energy: -134.827 flat angles C4'-P-C4' energy: -157.251 flat angles P-C4'-P energy: -104.673 tors. eta vs tors. theta energy: -218.091 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: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2304.278201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.278201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.278201 (E_RNA) where: Base-Base interactions energy: -1603.765 where: short stacking energy: -683.533 Base-Backbone interact. energy: -2.725 local terms energy: -697.787960 where: bonds (distance) C4'-P energy: -114.626 bonds (distance) P-C4' energy: -129.426 flat angles C4'-P-C4' energy: -153.395 flat angles P-C4'-P energy: -95.997 tors. eta vs tors. theta energy: -204.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2253.229196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.229196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.229196 (E_RNA) where: Base-Base interactions energy: -1547.358 where: short stacking energy: -673.764 Base-Backbone interact. energy: -0.584 local terms energy: -705.287053 where: bonds (distance) C4'-P energy: -115.496 bonds (distance) P-C4' energy: -136.145 flat angles C4'-P-C4' energy: -147.030 flat angles P-C4'-P energy: -95.900 tors. eta vs tors. theta energy: -210.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -2112.320516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.320516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.320516 (E_RNA) where: Base-Base interactions energy: -1444.896 where: short stacking energy: -619.966 Base-Backbone interact. energy: -0.591 local terms energy: -666.834261 where: bonds (distance) C4'-P energy: -127.235 bonds (distance) P-C4' energy: -125.890 flat angles C4'-P-C4' energy: -150.402 flat angles P-C4'-P energy: -81.000 tors. eta vs tors. theta energy: -182.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1968.160989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.160989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.160989 (E_RNA) where: Base-Base interactions energy: -1351.047 where: short stacking energy: -577.936 Base-Backbone interact. energy: -1.653 local terms energy: -615.460770 where: bonds (distance) C4'-P energy: -107.624 bonds (distance) P-C4' energy: -110.370 flat angles C4'-P-C4' energy: -126.962 flat angles P-C4'-P energy: -98.553 tors. eta vs tors. theta energy: -171.952 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: 7, replica: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1603.810302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.810302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.810302 (E_RNA) where: Base-Base interactions energy: -1040.914 where: short stacking energy: -474.655 Base-Backbone interact. energy: -0.971 local terms energy: -561.925431 where: bonds (distance) C4'-P energy: -103.730 bonds (distance) P-C4' energy: -127.649 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -66.634 tors. eta vs tors. theta energy: -133.790 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: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1547.972813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.972813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.972813 (E_RNA) where: Base-Base interactions energy: -981.427 where: short stacking energy: -463.986 Base-Backbone interact. energy: 1.580 local terms energy: -568.126147 where: bonds (distance) C4'-P energy: -110.402 bonds (distance) P-C4' energy: -110.090 flat angles C4'-P-C4' energy: -133.134 flat angles P-C4'-P energy: -88.008 tors. eta vs tors. theta energy: -126.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1509.770713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.770713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.770713 (E_RNA) where: Base-Base interactions energy: -995.960 where: short stacking energy: -413.437 Base-Backbone interact. energy: 5.543 local terms energy: -519.353497 where: bonds (distance) C4'-P energy: -108.509 bonds (distance) P-C4' energy: -114.880 flat angles C4'-P-C4' energy: -126.271 flat angles P-C4'-P energy: -68.113 tors. eta vs tors. theta energy: -101.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1107.375172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.375172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.375172 (E_RNA) where: Base-Base interactions energy: -731.748 where: short stacking energy: -341.578 Base-Backbone interact. energy: 3.748 local terms energy: -379.375308 where: bonds (distance) C4'-P energy: -87.145 bonds (distance) P-C4' energy: -88.759 flat angles C4'-P-C4' energy: -113.919 flat angles P-C4'-P energy: -41.380 tors. eta vs tors. theta energy: -48.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2463.164164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.164164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.164164 (E_RNA) where: Base-Base interactions energy: -1728.168 where: short stacking energy: -733.374 Base-Backbone interact. energy: -2.282 local terms energy: -732.714597 where: bonds (distance) C4'-P energy: -123.357 bonds (distance) P-C4' energy: -135.264 flat angles C4'-P-C4' energy: -147.914 flat angles P-C4'-P energy: -106.691 tors. eta vs tors. theta energy: -219.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2404.986524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.986524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.986524 (E_RNA) where: Base-Base interactions energy: -1701.281 where: short stacking energy: -705.757 Base-Backbone interact. energy: -4.591 local terms energy: -699.114140 where: bonds (distance) C4'-P energy: -134.365 bonds (distance) P-C4' energy: -124.275 flat angles C4'-P-C4' energy: -133.794 flat angles P-C4'-P energy: -93.968 tors. eta vs tors. theta energy: -212.712 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: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2337.070457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.070457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.070457 (E_RNA) where: Base-Base interactions energy: -1637.777 where: short stacking energy: -671.777 Base-Backbone interact. energy: -2.523 local terms energy: -696.770681 where: bonds (distance) C4'-P energy: -120.919 bonds (distance) P-C4' energy: -128.831 flat angles C4'-P-C4' energy: -144.779 flat angles P-C4'-P energy: -98.396 tors. eta vs tors. theta energy: -203.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2232.692084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.692084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.692084 (E_RNA) where: Base-Base interactions energy: -1528.418 where: short stacking energy: -660.872 Base-Backbone interact. energy: -1.350 local terms energy: -702.924579 where: bonds (distance) C4'-P energy: -111.497 bonds (distance) P-C4' energy: -137.426 flat angles C4'-P-C4' energy: -156.527 flat angles P-C4'-P energy: -91.834 tors. eta vs tors. theta energy: -205.641 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: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2077.926037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.926037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.926037 (E_RNA) where: Base-Base interactions energy: -1433.365 where: short stacking energy: -613.233 Base-Backbone interact. energy: -0.222 local terms energy: -644.338697 where: bonds (distance) C4'-P energy: -105.497 bonds (distance) P-C4' energy: -123.955 flat angles C4'-P-C4' energy: -140.702 flat angles P-C4'-P energy: -97.690 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: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1979.603424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.603424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.603424 (E_RNA) where: Base-Base interactions energy: -1335.590 where: short stacking energy: -580.913 Base-Backbone interact. energy: -0.189 local terms energy: -643.824514 where: bonds (distance) C4'-P energy: -115.843 bonds (distance) P-C4' energy: -124.016 flat angles C4'-P-C4' energy: -142.729 flat angles P-C4'-P energy: -97.746 tors. eta vs tors. theta energy: -163.490 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: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1628.887883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.887883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.887883 (E_RNA) where: Base-Base interactions energy: -1017.735 where: short stacking energy: -451.217 Base-Backbone interact. energy: 4.595 local terms energy: -615.748246 where: bonds (distance) C4'-P energy: -130.872 bonds (distance) P-C4' energy: -126.557 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -105.441 tors. eta vs tors. theta energy: -139.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1540.271539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.271539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.271539 (E_RNA) where: Base-Base interactions energy: -1006.295 where: short stacking energy: -443.674 Base-Backbone interact. energy: -1.754 local terms energy: -532.222904 where: bonds (distance) C4'-P energy: -109.664 bonds (distance) P-C4' energy: -123.176 flat angles C4'-P-C4' energy: -112.090 flat angles P-C4'-P energy: -79.229 tors. eta vs tors. theta energy: -108.064 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: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1479.488464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.488464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.488464 (E_RNA) where: Base-Base interactions energy: -971.388 where: short stacking energy: -423.385 Base-Backbone interact. energy: -2.050 local terms energy: -506.051134 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -110.399 flat angles C4'-P-C4' energy: -111.041 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: -92.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1144.341554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.341554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.341554 (E_RNA) where: Base-Base interactions energy: -735.171 where: short stacking energy: -331.362 Base-Backbone interact. energy: 3.245 local terms energy: -412.415779 where: bonds (distance) C4'-P energy: -96.988 bonds (distance) P-C4' energy: -120.744 flat angles C4'-P-C4' energy: -94.165 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -48.471 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: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2456.339612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.339612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.339612 (E_RNA) where: Base-Base interactions energy: -1728.523 where: short stacking energy: -739.618 Base-Backbone interact. energy: 1.939 local terms energy: -729.754779 where: bonds (distance) C4'-P energy: -129.744 bonds (distance) P-C4' energy: -141.007 flat angles C4'-P-C4' energy: -143.152 flat angles P-C4'-P energy: -94.040 tors. eta vs tors. theta energy: -221.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2433.403548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.403548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.403548 (E_RNA) where: Base-Base interactions energy: -1699.512 where: short stacking energy: -742.086 Base-Backbone interact. energy: 1.126 local terms energy: -735.017406 where: bonds (distance) C4'-P energy: -146.567 bonds (distance) P-C4' energy: -130.553 flat angles C4'-P-C4' energy: -155.740 flat angles P-C4'-P energy: -92.123 tors. eta vs tors. theta energy: -210.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2287.180105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.180105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.180105 (E_RNA) where: Base-Base interactions energy: -1599.726 where: short stacking energy: -665.695 Base-Backbone interact. energy: -4.773 local terms energy: -682.681119 where: bonds (distance) C4'-P energy: -124.937 bonds (distance) P-C4' energy: -121.730 flat angles C4'-P-C4' energy: -134.046 flat angles P-C4'-P energy: -92.622 tors. eta vs tors. theta energy: -209.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2295.376057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.376057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.376057 (E_RNA) where: Base-Base interactions energy: -1608.258 where: short stacking energy: -698.392 Base-Backbone interact. energy: -1.568 local terms energy: -685.549628 where: bonds (distance) C4'-P energy: -131.580 bonds (distance) P-C4' energy: -122.326 flat angles C4'-P-C4' energy: -135.753 flat angles P-C4'-P energy: -92.350 tors. eta vs tors. theta energy: -203.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2131.730323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.730323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.730323 (E_RNA) where: Base-Base interactions energy: -1480.503 where: short stacking energy: -648.894 Base-Backbone interact. energy: -3.881 local terms energy: -647.346232 where: bonds (distance) C4'-P energy: -104.464 bonds (distance) P-C4' energy: -129.796 flat angles C4'-P-C4' energy: -152.721 flat angles P-C4'-P energy: -82.379 tors. eta vs tors. theta energy: -177.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1916.171198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.171198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.171198 (E_RNA) where: Base-Base interactions energy: -1276.681 where: short stacking energy: -556.761 Base-Backbone interact. energy: -1.464 local terms energy: -638.026145 where: bonds (distance) C4'-P energy: -122.545 bonds (distance) P-C4' energy: -130.059 flat angles C4'-P-C4' energy: -137.772 flat angles P-C4'-P energy: -86.815 tors. eta vs tors. theta energy: -160.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1624.129972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.129972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.129972 (E_RNA) where: Base-Base interactions energy: -1073.049 where: short stacking energy: -494.014 Base-Backbone interact. energy: -1.540 local terms energy: -549.540931 where: bonds (distance) C4'-P energy: -122.022 bonds (distance) P-C4' energy: -95.022 flat angles C4'-P-C4' energy: -126.118 flat angles P-C4'-P energy: -80.787 tors. eta vs tors. theta energy: -125.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1487.660287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.660287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.660287 (E_RNA) where: Base-Base interactions energy: -986.787 where: short stacking energy: -371.833 Base-Backbone interact. energy: -2.032 local terms energy: -498.841185 where: bonds (distance) C4'-P energy: -109.731 bonds (distance) P-C4' energy: -116.718 flat angles C4'-P-C4' energy: -105.940 flat angles P-C4'-P energy: -79.194 tors. eta vs tors. theta energy: -87.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1477.459688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.459688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.459688 (E_RNA) where: Base-Base interactions energy: -960.882 where: short stacking energy: -425.502 Base-Backbone interact. energy: -5.359 local terms energy: -511.218487 where: bonds (distance) C4'-P energy: -112.099 bonds (distance) P-C4' energy: -105.421 flat angles C4'-P-C4' energy: -112.444 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -110.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -1056.207455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.207455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.207455 (E_RNA) where: Base-Base interactions energy: -613.106 where: short stacking energy: -287.051 Base-Backbone interact. energy: -1.912 local terms energy: -441.189956 where: bonds (distance) C4'-P energy: -111.890 bonds (distance) P-C4' energy: -137.664 flat angles C4'-P-C4' energy: -105.063 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -36.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2472.821479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.821479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.821479 (E_RNA) where: Base-Base interactions energy: -1701.048 where: short stacking energy: -737.711 Base-Backbone interact. energy: -3.469 local terms energy: -768.304555 where: bonds (distance) C4'-P energy: -143.707 bonds (distance) P-C4' energy: -145.559 flat angles C4'-P-C4' energy: -155.366 flat angles P-C4'-P energy: -100.728 tors. eta vs tors. theta energy: -222.945 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: 25 Temperature: 0.950000 Total energy: -2363.185395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.185395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.185395 (E_RNA) where: Base-Base interactions energy: -1646.286 where: short stacking energy: -702.725 Base-Backbone interact. energy: -1.941 local terms energy: -714.958351 where: bonds (distance) C4'-P energy: -125.581 bonds (distance) P-C4' energy: -127.752 flat angles C4'-P-C4' energy: -158.791 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -207.005 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2381.325415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.325415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.325415 (E_RNA) where: Base-Base interactions energy: -1665.766 where: short stacking energy: -713.859 Base-Backbone interact. energy: 3.817 local terms energy: -719.375960 where: bonds (distance) C4'-P energy: -137.896 bonds (distance) P-C4' energy: -128.282 flat angles C4'-P-C4' energy: -151.561 flat angles P-C4'-P energy: -94.034 tors. eta vs tors. theta energy: -207.602 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: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2310.300326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.300326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.300326 (E_RNA) where: Base-Base interactions energy: -1616.754 where: short stacking energy: -679.357 Base-Backbone interact. energy: -1.823 local terms energy: -691.723544 where: bonds (distance) C4'-P energy: -128.106 bonds (distance) P-C4' energy: -111.074 flat angles C4'-P-C4' energy: -152.690 flat angles P-C4'-P energy: -86.949 tors. eta vs tors. theta energy: -212.904 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: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2114.226706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.226706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.226706 (E_RNA) where: Base-Base interactions energy: -1468.966 where: short stacking energy: -648.688 Base-Backbone interact. energy: -5.020 local terms energy: -640.239936 where: bonds (distance) C4'-P energy: -115.480 bonds (distance) P-C4' energy: -111.975 flat angles C4'-P-C4' energy: -138.305 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -183.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1978.388033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.388033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.388033 (E_RNA) where: Base-Base interactions energy: -1361.608 where: short stacking energy: -595.984 Base-Backbone interact. energy: -2.709 local terms energy: -614.071584 where: bonds (distance) C4'-P energy: -95.988 bonds (distance) P-C4' energy: -121.180 flat angles C4'-P-C4' energy: -130.646 flat angles P-C4'-P energy: -90.266 tors. eta vs tors. theta energy: -175.992 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: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1574.370455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.370455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.370455 (E_RNA) where: Base-Base interactions energy: -1016.792 where: short stacking energy: -470.857 Base-Backbone interact. energy: -1.886 local terms energy: -555.692373 where: bonds (distance) C4'-P energy: -119.047 bonds (distance) P-C4' energy: -116.755 flat angles C4'-P-C4' energy: -117.707 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -114.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1529.497336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.497336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.497336 (E_RNA) where: Base-Base interactions energy: -1008.644 where: short stacking energy: -456.231 Base-Backbone interact. energy: -2.196 local terms energy: -518.656919 where: bonds (distance) C4'-P energy: -96.628 bonds (distance) P-C4' energy: -118.893 flat angles C4'-P-C4' energy: -121.226 flat angles P-C4'-P energy: -70.669 tors. eta vs tors. theta energy: -111.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1370.586862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.586862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.586862 (E_RNA) where: Base-Base interactions energy: -879.471 where: short stacking energy: -368.186 Base-Backbone interact. energy: 1.688 local terms energy: -492.804098 where: bonds (distance) C4'-P energy: -106.496 bonds (distance) P-C4' energy: -127.775 flat angles C4'-P-C4' energy: -117.948 flat angles P-C4'-P energy: -65.455 tors. eta vs tors. theta energy: -75.130 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: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -1100.677837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.677837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.677837 (E_RNA) where: Base-Base interactions energy: -645.334 where: short stacking energy: -292.342 Base-Backbone interact. energy: -1.093 local terms energy: -454.251038 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -119.458 flat angles C4'-P-C4' energy: -108.071 flat angles P-C4'-P energy: -75.321 tors. eta vs tors. theta energy: -28.135 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2467.667288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.667288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.667288 (E_RNA) where: Base-Base interactions energy: -1697.561 where: short stacking energy: -704.119 Base-Backbone interact. energy: -0.224 local terms energy: -769.881768 where: bonds (distance) C4'-P energy: -143.225 bonds (distance) P-C4' energy: -146.358 flat angles C4'-P-C4' energy: -155.905 flat angles P-C4'-P energy: -103.735 tors. eta vs tors. theta energy: -220.660 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: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2355.341322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.341322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.341322 (E_RNA) where: Base-Base interactions energy: -1628.674 where: short stacking energy: -701.249 Base-Backbone interact. energy: -4.964 local terms energy: -721.703902 where: bonds (distance) C4'-P energy: -124.943 bonds (distance) P-C4' energy: -131.346 flat angles C4'-P-C4' energy: -139.038 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -217.717 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: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2354.998313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.998313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.998313 (E_RNA) where: Base-Base interactions energy: -1638.281 where: short stacking energy: -690.105 Base-Backbone interact. energy: 1.309 local terms energy: -718.026824 where: bonds (distance) C4'-P energy: -124.466 bonds (distance) P-C4' energy: -130.141 flat angles C4'-P-C4' energy: -148.745 flat angles P-C4'-P energy: -109.235 tors. eta vs tors. theta energy: -205.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2306.236147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.236147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.236147 (E_RNA) where: Base-Base interactions energy: -1605.292 where: short stacking energy: -693.459 Base-Backbone interact. energy: -0.793 local terms energy: -700.150431 where: bonds (distance) C4'-P energy: -124.908 bonds (distance) P-C4' energy: -116.367 flat angles C4'-P-C4' energy: -141.936 flat angles P-C4'-P energy: -95.887 tors. eta vs tors. theta energy: -221.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2071.410360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.410360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.410360 (E_RNA) where: Base-Base interactions energy: -1417.114 where: short stacking energy: -612.705 Base-Backbone interact. energy: -1.986 local terms energy: -652.310904 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -108.703 flat angles C4'-P-C4' energy: -139.685 flat angles P-C4'-P energy: -90.495 tors. eta vs tors. theta energy: -189.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -2015.037491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.037491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.037491 (E_RNA) where: Base-Base interactions energy: -1413.329 where: short stacking energy: -622.288 Base-Backbone interact. energy: -3.796 local terms energy: -597.913276 where: bonds (distance) C4'-P energy: -106.436 bonds (distance) P-C4' energy: -116.658 flat angles C4'-P-C4' energy: -134.447 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -165.384 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: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1592.203467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.203467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.203467 (E_RNA) where: Base-Base interactions energy: -1030.400 where: short stacking energy: -483.913 Base-Backbone interact. energy: -2.337 local terms energy: -559.466308 where: bonds (distance) C4'-P energy: -100.335 bonds (distance) P-C4' energy: -118.890 flat angles C4'-P-C4' energy: -122.095 flat angles P-C4'-P energy: -85.431 tors. eta vs tors. theta energy: -132.716 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: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1565.352288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.352288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.352288 (E_RNA) where: Base-Base interactions energy: -1033.249 where: short stacking energy: -472.731 Base-Backbone interact. energy: -2.335 local terms energy: -529.767304 where: bonds (distance) C4'-P energy: -110.321 bonds (distance) P-C4' energy: -116.814 flat angles C4'-P-C4' energy: -117.971 flat angles P-C4'-P energy: -71.801 tors. eta vs tors. theta energy: -112.861 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: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1260.059516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.059516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.059516 (E_RNA) where: Base-Base interactions energy: -823.700 where: short stacking energy: -352.649 Base-Backbone interact. energy: -0.852 local terms energy: -435.507620 where: bonds (distance) C4'-P energy: -94.400 bonds (distance) P-C4' energy: -106.498 flat angles C4'-P-C4' energy: -109.336 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -82.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1059.207075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.207075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.207075 (E_RNA) where: Base-Base interactions energy: -643.420 where: short stacking energy: -287.875 Base-Backbone interact. energy: 0.712 local terms energy: -416.498386 where: bonds (distance) C4'-P energy: -116.688 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -85.204 flat angles P-C4'-P energy: -79.630 tors. eta vs tors. theta energy: -45.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2457.978520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.978520 (E_RNA) where: Base-Base interactions energy: -1711.076 where: short stacking energy: -725.442 Base-Backbone interact. energy: -1.669 local terms energy: -745.233071 where: bonds (distance) C4'-P energy: -125.769 bonds (distance) P-C4' energy: -141.825 flat angles C4'-P-C4' energy: -150.821 flat angles P-C4'-P energy: -106.423 tors. eta vs tors. theta energy: -220.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2376.619629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.619629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.619629 (E_RNA) where: Base-Base interactions energy: -1645.959 where: short stacking energy: -697.333 Base-Backbone interact. energy: -2.187 local terms energy: -728.472970 where: bonds (distance) C4'-P energy: -129.695 bonds (distance) P-C4' energy: -140.985 flat angles C4'-P-C4' energy: -148.783 flat angles P-C4'-P energy: -98.744 tors. eta vs tors. theta energy: -210.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2331.113184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.113184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.113184 (E_RNA) where: Base-Base interactions energy: -1621.017 where: short stacking energy: -663.273 Base-Backbone interact. energy: -2.587 local terms energy: -707.509291 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -133.105 flat angles C4'-P-C4' energy: -140.449 flat angles P-C4'-P energy: -100.199 tors. eta vs tors. theta energy: -202.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2332.124081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.124081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.124081 (E_RNA) where: Base-Base interactions energy: -1608.510 where: short stacking energy: -688.502 Base-Backbone interact. energy: -0.832 local terms energy: -722.782774 where: bonds (distance) C4'-P energy: -133.432 bonds (distance) P-C4' energy: -115.121 flat angles C4'-P-C4' energy: -155.869 flat angles P-C4'-P energy: -103.797 tors. eta vs tors. theta energy: -214.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2075.922572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.922572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.922572 (E_RNA) where: Base-Base interactions energy: -1423.435 where: short stacking energy: -631.990 Base-Backbone interact. energy: -2.780 local terms energy: -649.707075 where: bonds (distance) C4'-P energy: -114.439 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -128.556 flat angles P-C4'-P energy: -92.838 tors. eta vs tors. theta energy: -193.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -2009.042252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.042252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.042252 (E_RNA) where: Base-Base interactions energy: -1379.616 where: short stacking energy: -586.883 Base-Backbone interact. energy: 1.202 local terms energy: -630.627989 where: bonds (distance) C4'-P energy: -131.098 bonds (distance) P-C4' energy: -114.768 flat angles C4'-P-C4' energy: -127.050 flat angles P-C4'-P energy: -82.220 tors. eta vs tors. theta energy: -175.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1580.347160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.347160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.347160 (E_RNA) where: Base-Base interactions energy: -1013.481 where: short stacking energy: -466.415 Base-Backbone interact. energy: -0.342 local terms energy: -566.524399 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -107.538 flat angles C4'-P-C4' energy: -135.776 flat angles P-C4'-P energy: -75.479 tors. eta vs tors. theta energy: -126.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1684.436892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.436892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.436892 (E_RNA) where: Base-Base interactions energy: -1150.048 where: short stacking energy: -502.641 Base-Backbone interact. energy: -4.475 local terms energy: -529.913987 where: bonds (distance) C4'-P energy: -108.563 bonds (distance) P-C4' energy: -96.436 flat angles C4'-P-C4' energy: -113.771 flat angles P-C4'-P energy: -79.545 tors. eta vs tors. theta energy: -131.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1316.544498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.544498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.544498 (E_RNA) where: Base-Base interactions energy: -834.062 where: short stacking energy: -388.577 Base-Backbone interact. energy: 0.032 local terms energy: -482.514363 where: bonds (distance) C4'-P energy: -100.553 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -119.088 flat angles P-C4'-P energy: -51.669 tors. eta vs tors. theta energy: -93.044 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: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -1012.408122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.408122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.408122 (E_RNA) where: Base-Base interactions energy: -592.891 where: short stacking energy: -273.673 Base-Backbone interact. energy: -1.768 local terms energy: -417.748189 where: bonds (distance) C4'-P energy: -112.042 bonds (distance) P-C4' energy: -117.314 flat angles C4'-P-C4' energy: -83.472 flat angles P-C4'-P energy: -71.792 tors. eta vs tors. theta energy: -33.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2490.476297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.476297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.476297 (E_RNA) where: Base-Base interactions energy: -1751.725 where: short stacking energy: -714.928 Base-Backbone interact. energy: -3.315 local terms energy: -735.436185 where: bonds (distance) C4'-P energy: -128.604 bonds (distance) P-C4' energy: -128.700 flat angles C4'-P-C4' energy: -155.407 flat angles P-C4'-P energy: -110.923 tors. eta vs tors. theta energy: -211.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2383.173226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.173226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.173226 (E_RNA) where: Base-Base interactions energy: -1677.384 where: short stacking energy: -703.489 Base-Backbone interact. energy: -1.705 local terms energy: -704.083947 where: bonds (distance) C4'-P energy: -115.684 bonds (distance) P-C4' energy: -129.169 flat angles C4'-P-C4' energy: -147.498 flat angles P-C4'-P energy: -99.101 tors. eta vs tors. theta energy: -212.633 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: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2337.093443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.093443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.093443 (E_RNA) where: Base-Base interactions energy: -1640.879 where: short stacking energy: -705.282 Base-Backbone interact. energy: -5.020 local terms energy: -691.194864 where: bonds (distance) C4'-P energy: -124.342 bonds (distance) P-C4' energy: -120.358 flat angles C4'-P-C4' energy: -142.483 flat angles P-C4'-P energy: -95.349 tors. eta vs tors. theta energy: -208.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2300.892291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.892291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.892291 (E_RNA) where: Base-Base interactions energy: -1591.524 where: short stacking energy: -679.861 Base-Backbone interact. energy: -3.966 local terms energy: -705.403088 where: bonds (distance) C4'-P energy: -124.099 bonds (distance) P-C4' energy: -137.552 flat angles C4'-P-C4' energy: -146.332 flat angles P-C4'-P energy: -93.551 tors. eta vs tors. theta energy: -203.868 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: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -2134.229587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.229587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.229587 (E_RNA) where: Base-Base interactions energy: -1443.103 where: short stacking energy: -630.963 Base-Backbone interact. energy: -0.772 local terms energy: -690.355188 where: bonds (distance) C4'-P energy: -127.599 bonds (distance) P-C4' energy: -129.398 flat angles C4'-P-C4' energy: -146.642 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -189.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -2013.945040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.945040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.945040 (E_RNA) where: Base-Base interactions energy: -1382.846 where: short stacking energy: -591.223 Base-Backbone interact. energy: -3.473 local terms energy: -627.626349 where: bonds (distance) C4'-P energy: -111.383 bonds (distance) P-C4' energy: -121.123 flat angles C4'-P-C4' energy: -138.443 flat angles P-C4'-P energy: -87.686 tors. eta vs tors. theta energy: -168.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1659.301267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.301267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.301267 (E_RNA) where: Base-Base interactions energy: -1110.803 where: short stacking energy: -472.541 Base-Backbone interact. energy: -2.101 local terms energy: -546.396789 where: bonds (distance) C4'-P energy: -105.331 bonds (distance) P-C4' energy: -123.941 flat angles C4'-P-C4' energy: -121.830 flat angles P-C4'-P energy: -78.182 tors. eta vs tors. theta energy: -117.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1582.056561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.056561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.056561 (E_RNA) where: Base-Base interactions energy: -1058.890 where: short stacking energy: -455.740 Base-Backbone interact. energy: -0.163 local terms energy: -523.003749 where: bonds (distance) C4'-P energy: -97.895 bonds (distance) P-C4' energy: -114.374 flat angles C4'-P-C4' energy: -121.932 flat angles P-C4'-P energy: -70.074 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: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1304.780713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.780713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.780713 (E_RNA) where: Base-Base interactions energy: -799.642 where: short stacking energy: -392.984 Base-Backbone interact. energy: -2.143 local terms energy: -502.995984 where: bonds (distance) C4'-P energy: -105.795 bonds (distance) P-C4' energy: -120.545 flat angles C4'-P-C4' energy: -112.176 flat angles P-C4'-P energy: -75.324 tors. eta vs tors. theta energy: -89.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -954.637512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.637512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.637512 (E_RNA) where: Base-Base interactions energy: -560.309 where: short stacking energy: -260.245 Base-Backbone interact. energy: -3.674 local terms energy: -390.654393 where: bonds (distance) C4'-P energy: -86.921 bonds (distance) P-C4' energy: -114.399 flat angles C4'-P-C4' energy: -97.503 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: -24.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2482.343420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.343420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.343420 (E_RNA) where: Base-Base interactions energy: -1716.187 where: short stacking energy: -719.583 Base-Backbone interact. energy: -2.580 local terms energy: -763.576162 where: bonds (distance) C4'-P energy: -138.497 bonds (distance) P-C4' energy: -136.177 flat angles C4'-P-C4' energy: -159.496 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -223.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2480.015416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.015416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.015416 (E_RNA) where: Base-Base interactions energy: -1730.611 where: short stacking energy: -729.189 Base-Backbone interact. energy: -1.438 local terms energy: -747.965999 where: bonds (distance) C4'-P energy: -137.439 bonds (distance) P-C4' energy: -141.065 flat angles C4'-P-C4' energy: -146.215 flat angles P-C4'-P energy: -106.610 tors. eta vs tors. theta energy: -216.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2335.930693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.930693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.930693 (E_RNA) where: Base-Base interactions energy: -1622.539 where: short stacking energy: -699.434 Base-Backbone interact. energy: -2.055 local terms energy: -711.337182 where: bonds (distance) C4'-P energy: -131.058 bonds (distance) P-C4' energy: -128.204 flat angles C4'-P-C4' energy: -150.642 flat angles P-C4'-P energy: -99.675 tors. eta vs tors. theta energy: -201.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2331.825990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.825990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.825990 (E_RNA) where: Base-Base interactions energy: -1634.819 where: short stacking energy: -674.178 Base-Backbone interact. energy: -3.023 local terms energy: -693.984521 where: bonds (distance) C4'-P energy: -111.576 bonds (distance) P-C4' energy: -128.680 flat angles C4'-P-C4' energy: -147.622 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -212.404 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: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -2122.994135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.994135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.994135 (E_RNA) where: Base-Base interactions energy: -1448.138 where: short stacking energy: -632.028 Base-Backbone interact. energy: 1.274 local terms energy: -676.131009 where: bonds (distance) C4'-P energy: -126.134 bonds (distance) P-C4' energy: -119.222 flat angles C4'-P-C4' energy: -150.106 flat angles P-C4'-P energy: -92.081 tors. eta vs tors. theta energy: -188.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -2058.928050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.928050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.928050 (E_RNA) where: Base-Base interactions energy: -1431.656 where: short stacking energy: -618.491 Base-Backbone interact. energy: 2.494 local terms energy: -629.766046 where: bonds (distance) C4'-P energy: -119.640 bonds (distance) P-C4' energy: -109.299 flat angles C4'-P-C4' energy: -140.158 flat angles P-C4'-P energy: -94.939 tors. eta vs tors. theta energy: -165.730 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: 29 Temperature: 1.200000 Total energy: -1679.001829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.001829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.001829 (E_RNA) where: Base-Base interactions energy: -1132.786 where: short stacking energy: -484.268 Base-Backbone interact. energy: -1.719 local terms energy: -544.496773 where: bonds (distance) C4'-P energy: -112.204 bonds (distance) P-C4' energy: -118.826 flat angles C4'-P-C4' energy: -125.092 flat angles P-C4'-P energy: -70.888 tors. eta vs tors. theta energy: -117.487 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: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1553.824721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.824721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.824721 (E_RNA) where: Base-Base interactions energy: -1039.084 where: short stacking energy: -464.471 Base-Backbone interact. energy: 1.434 local terms energy: -516.174185 where: bonds (distance) C4'-P energy: -103.636 bonds (distance) P-C4' energy: -98.044 flat angles C4'-P-C4' energy: -122.948 flat angles P-C4'-P energy: -76.133 tors. eta vs tors. theta energy: -115.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1310.367060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.367060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.367060 (E_RNA) where: Base-Base interactions energy: -844.446 where: short stacking energy: -388.000 Base-Backbone interact. energy: 1.768 local terms energy: -467.689130 where: bonds (distance) C4'-P energy: -93.239 bonds (distance) P-C4' energy: -115.519 flat angles C4'-P-C4' energy: -103.256 flat angles P-C4'-P energy: -65.538 tors. eta vs tors. theta energy: -90.137 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: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -928.607534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.607534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.607534 (E_RNA) where: Base-Base interactions energy: -551.968 where: short stacking energy: -273.552 Base-Backbone interact. energy: 8.649 local terms energy: -385.288769 where: bonds (distance) C4'-P energy: -94.273 bonds (distance) P-C4' energy: -117.766 flat angles C4'-P-C4' energy: -91.661 flat angles P-C4'-P energy: -58.479 tors. eta vs tors. theta energy: -23.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2496.405491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.405491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.405491 (E_RNA) where: Base-Base interactions energy: -1749.073 where: short stacking energy: -753.690 Base-Backbone interact. energy: -4.855 local terms energy: -742.477381 where: bonds (distance) C4'-P energy: -135.766 bonds (distance) P-C4' energy: -140.509 flat angles C4'-P-C4' energy: -152.243 flat angles P-C4'-P energy: -91.417 tors. eta vs tors. theta energy: -222.543 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: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2429.845894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.845894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.845894 (E_RNA) where: Base-Base interactions energy: -1683.493 where: short stacking energy: -700.922 Base-Backbone interact. energy: -3.172 local terms energy: -743.181351 where: bonds (distance) C4'-P energy: -127.098 bonds (distance) P-C4' energy: -136.454 flat angles C4'-P-C4' energy: -155.947 flat angles P-C4'-P energy: -104.156 tors. eta vs tors. theta energy: -219.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2352.777984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.777984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.777984 (E_RNA) where: Base-Base interactions energy: -1647.684 where: short stacking energy: -695.105 Base-Backbone interact. energy: -2.233 local terms energy: -702.860998 where: bonds (distance) C4'-P energy: -119.183 bonds (distance) P-C4' energy: -126.246 flat angles C4'-P-C4' energy: -143.086 flat angles P-C4'-P energy: -98.200 tors. eta vs tors. theta energy: -216.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2211.627394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.627394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.627394 (E_RNA) where: Base-Base interactions energy: -1518.404 where: short stacking energy: -646.328 Base-Backbone interact. energy: -3.170 local terms energy: -690.053301 where: bonds (distance) C4'-P energy: -133.425 bonds (distance) P-C4' energy: -132.689 flat angles C4'-P-C4' energy: -142.417 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -188.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -2083.815651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.815651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.815651 (E_RNA) where: Base-Base interactions energy: -1441.622 where: short stacking energy: -616.871 Base-Backbone interact. energy: 0.265 local terms energy: -642.458829 where: bonds (distance) C4'-P energy: -117.922 bonds (distance) P-C4' energy: -119.933 flat angles C4'-P-C4' energy: -128.616 flat angles P-C4'-P energy: -92.058 tors. eta vs tors. theta energy: -183.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -2025.718675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.718675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.718675 (E_RNA) where: Base-Base interactions energy: -1399.625 where: short stacking energy: -599.988 Base-Backbone interact. energy: -0.430 local terms energy: -625.663654 where: bonds (distance) C4'-P energy: -101.055 bonds (distance) P-C4' energy: -111.121 flat angles C4'-P-C4' energy: -138.652 flat angles P-C4'-P energy: -98.829 tors. eta vs tors. theta energy: -176.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1702.633273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.633273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.633273 (E_RNA) where: Base-Base interactions energy: -1148.711 where: short stacking energy: -513.945 Base-Backbone interact. energy: 1.061 local terms energy: -554.982814 where: bonds (distance) C4'-P energy: -98.433 bonds (distance) P-C4' energy: -117.164 flat angles C4'-P-C4' energy: -125.458 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -135.640 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: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1613.008043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.008043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.008043 (E_RNA) where: Base-Base interactions energy: -1087.119 where: short stacking energy: -487.888 Base-Backbone interact. energy: -3.234 local terms energy: -522.655799 where: bonds (distance) C4'-P energy: -98.239 bonds (distance) P-C4' energy: -108.864 flat angles C4'-P-C4' energy: -117.873 flat angles P-C4'-P energy: -73.188 tors. eta vs tors. theta energy: -124.491 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: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1352.523304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.523304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.523304 (E_RNA) where: Base-Base interactions energy: -851.504 where: short stacking energy: -385.285 Base-Backbone interact. energy: -0.826 local terms energy: -500.193261 where: bonds (distance) C4'-P energy: -99.142 bonds (distance) P-C4' energy: -118.906 flat angles C4'-P-C4' energy: -124.166 flat angles P-C4'-P energy: -83.488 tors. eta vs tors. theta energy: -74.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -887.796421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.796421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.796421 (E_RNA) where: Base-Base interactions energy: -496.224 where: short stacking energy: -255.498 Base-Backbone interact. energy: 5.045 local terms energy: -396.617561 where: bonds (distance) C4'-P energy: -106.346 bonds (distance) P-C4' energy: -112.632 flat angles C4'-P-C4' energy: -90.630 flat angles P-C4'-P energy: -73.352 tors. eta vs tors. theta energy: -13.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2489.350586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.350586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.350586 (E_RNA) where: Base-Base interactions energy: -1724.595 where: short stacking energy: -708.646 Base-Backbone interact. energy: -1.411 local terms energy: -763.344581 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -135.915 flat angles C4'-P-C4' energy: -152.760 flat angles P-C4'-P energy: -122.589 tors. eta vs tors. theta energy: -215.738 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: 31 Temperature: 0.950000 Total energy: -2412.250931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.250931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.250931 (E_RNA) where: Base-Base interactions energy: -1708.341 where: short stacking energy: -706.864 Base-Backbone interact. energy: -3.277 local terms energy: -700.632648 where: bonds (distance) C4'-P energy: -122.798 bonds (distance) P-C4' energy: -114.619 flat angles C4'-P-C4' energy: -148.683 flat angles P-C4'-P energy: -104.921 tors. eta vs tors. theta energy: -209.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2370.251468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.251468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.251468 (E_RNA) where: Base-Base interactions energy: -1637.911 where: short stacking energy: -730.473 Base-Backbone interact. energy: -1.292 local terms energy: -731.048890 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -124.595 flat angles C4'-P-C4' energy: -138.563 flat angles P-C4'-P energy: -106.539 tors. eta vs tors. theta energy: -226.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2225.907399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.907399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.907399 (E_RNA) where: Base-Base interactions energy: -1524.688 where: short stacking energy: -652.287 Base-Backbone interact. energy: -0.375 local terms energy: -700.844693 where: bonds (distance) C4'-P energy: -115.186 bonds (distance) P-C4' energy: -122.565 flat angles C4'-P-C4' energy: -152.594 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -208.195 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: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2084.608454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.608454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.608454 (E_RNA) where: Base-Base interactions energy: -1448.146 where: short stacking energy: -615.186 Base-Backbone interact. energy: -0.577 local terms energy: -635.884980 where: bonds (distance) C4'-P energy: -125.263 bonds (distance) P-C4' energy: -111.140 flat angles C4'-P-C4' energy: -138.460 flat angles P-C4'-P energy: -86.239 tors. eta vs tors. theta energy: -174.781 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: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -2041.550116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.550116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.550116 (E_RNA) where: Base-Base interactions energy: -1390.041 where: short stacking energy: -599.117 Base-Backbone interact. energy: -0.970 local terms energy: -650.539548 where: bonds (distance) C4'-P energy: -118.706 bonds (distance) P-C4' energy: -117.825 flat angles C4'-P-C4' energy: -134.951 flat angles P-C4'-P energy: -96.051 tors. eta vs tors. theta energy: -183.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1690.059020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.059020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.059020 (E_RNA) where: Base-Base interactions energy: -1146.695 where: short stacking energy: -492.526 Base-Backbone interact. energy: -1.594 local terms energy: -541.770426 where: bonds (distance) C4'-P energy: -110.342 bonds (distance) P-C4' energy: -98.411 flat angles C4'-P-C4' energy: -138.848 flat angles P-C4'-P energy: -77.436 tors. eta vs tors. theta energy: -116.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1621.081218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.081218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.081218 (E_RNA) where: Base-Base interactions energy: -1081.002 where: short stacking energy: -473.304 Base-Backbone interact. energy: -0.851 local terms energy: -539.228512 where: bonds (distance) C4'-P energy: -102.502 bonds (distance) P-C4' energy: -113.037 flat angles C4'-P-C4' energy: -112.260 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -131.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1354.390343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.390343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.390343 (E_RNA) where: Base-Base interactions energy: -883.771 where: short stacking energy: -399.232 Base-Backbone interact. energy: -2.084 local terms energy: -468.534403 where: bonds (distance) C4'-P energy: -108.329 bonds (distance) P-C4' energy: -104.438 flat angles C4'-P-C4' energy: -101.403 flat angles P-C4'-P energy: -62.788 tors. eta vs tors. theta energy: -91.577 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: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -819.255875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.255875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.255875 (E_RNA) where: Base-Base interactions energy: -440.332 where: short stacking energy: -209.078 Base-Backbone interact. energy: 3.788 local terms energy: -382.711854 where: bonds (distance) C4'-P energy: -124.684 bonds (distance) P-C4' energy: -106.998 flat angles C4'-P-C4' energy: -102.885 flat angles P-C4'-P energy: -57.398 tors. eta vs tors. theta energy: 9.253 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: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2494.736955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.736955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.736955 (E_RNA) where: Base-Base interactions energy: -1729.892 where: short stacking energy: -736.596 Base-Backbone interact. energy: -2.268 local terms energy: -762.576713 where: bonds (distance) C4'-P energy: -139.292 bonds (distance) P-C4' energy: -135.314 flat angles C4'-P-C4' energy: -153.188 flat angles P-C4'-P energy: -115.336 tors. eta vs tors. theta energy: -219.447 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: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2420.227230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.227230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.227230 (E_RNA) where: Base-Base interactions energy: -1725.725 where: short stacking energy: -720.722 Base-Backbone interact. energy: 5.716 local terms energy: -700.219001 where: bonds (distance) C4'-P energy: -129.740 bonds (distance) P-C4' energy: -118.920 flat angles C4'-P-C4' energy: -146.697 flat angles P-C4'-P energy: -92.772 tors. eta vs tors. theta energy: -212.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2360.424378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.424378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.424378 (E_RNA) where: Base-Base interactions energy: -1635.751 where: short stacking energy: -699.583 Base-Backbone interact. energy: -2.543 local terms energy: -722.130566 where: bonds (distance) C4'-P energy: -112.344 bonds (distance) P-C4' energy: -137.366 flat angles C4'-P-C4' energy: -151.959 flat angles P-C4'-P energy: -96.444 tors. eta vs tors. theta energy: -224.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2216.221813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.221813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.221813 (E_RNA) where: Base-Base interactions energy: -1531.055 where: short stacking energy: -670.288 Base-Backbone interact. energy: -1.218 local terms energy: -683.948550 where: bonds (distance) C4'-P energy: -129.827 bonds (distance) P-C4' energy: -124.195 flat angles C4'-P-C4' energy: -133.267 flat angles P-C4'-P energy: -86.894 tors. eta vs tors. theta energy: -209.765 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: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2073.916721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.916721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.916721 (E_RNA) where: Base-Base interactions energy: -1441.186 where: short stacking energy: -628.762 Base-Backbone interact. energy: -0.043 local terms energy: -632.688120 where: bonds (distance) C4'-P energy: -116.063 bonds (distance) P-C4' energy: -108.282 flat angles C4'-P-C4' energy: -127.937 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -195.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -2016.019749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.019749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.019749 (E_RNA) where: Base-Base interactions energy: -1386.943 where: short stacking energy: -574.368 Base-Backbone interact. energy: -4.418 local terms energy: -624.658250 where: bonds (distance) C4'-P energy: -114.202 bonds (distance) P-C4' energy: -122.349 flat angles C4'-P-C4' energy: -131.055 flat angles P-C4'-P energy: -83.092 tors. eta vs tors. theta energy: -173.960 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: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1731.986485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.986485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.986485 (E_RNA) where: Base-Base interactions energy: -1170.604 where: short stacking energy: -500.178 Base-Backbone interact. energy: 2.440 local terms energy: -563.822321 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -126.868 flat angles C4'-P-C4' energy: -124.507 flat angles P-C4'-P energy: -65.214 tors. eta vs tors. theta energy: -131.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1589.185751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.185751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.185751 (E_RNA) where: Base-Base interactions energy: -1033.703 where: short stacking energy: -456.189 Base-Backbone interact. energy: -1.776 local terms energy: -553.706346 where: bonds (distance) C4'-P energy: -99.398 bonds (distance) P-C4' energy: -118.871 flat angles C4'-P-C4' energy: -112.293 flat angles P-C4'-P energy: -93.368 tors. eta vs tors. theta energy: -129.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1345.845294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.845294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.845294 (E_RNA) where: Base-Base interactions energy: -855.745 where: short stacking energy: -390.681 Base-Backbone interact. energy: -0.813 local terms energy: -489.287207 where: bonds (distance) C4'-P energy: -109.905 bonds (distance) P-C4' energy: -110.984 flat angles C4'-P-C4' energy: -123.033 flat angles P-C4'-P energy: -59.484 tors. eta vs tors. theta energy: -85.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -844.943155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.943155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.943155 (E_RNA) where: Base-Base interactions energy: -453.744 where: short stacking energy: -235.798 Base-Backbone interact. energy: 4.146 local terms energy: -395.345357 where: bonds (distance) C4'-P energy: -97.444 bonds (distance) P-C4' energy: -104.430 flat angles C4'-P-C4' energy: -108.243 flat angles P-C4'-P energy: -79.179 tors. eta vs tors. theta energy: -6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2494.722285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.722285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.722285 (E_RNA) where: Base-Base interactions energy: -1716.790 where: short stacking energy: -737.638 Base-Backbone interact. energy: -3.333 local terms energy: -774.598978 where: bonds (distance) C4'-P energy: -137.046 bonds (distance) P-C4' energy: -144.103 flat angles C4'-P-C4' energy: -156.520 flat angles P-C4'-P energy: -116.818 tors. eta vs tors. theta energy: -220.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2470.643237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.643237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.643237 (E_RNA) where: Base-Base interactions energy: -1730.840 where: short stacking energy: -741.843 Base-Backbone interact. energy: -1.613 local terms energy: -738.190213 where: bonds (distance) C4'-P energy: -135.264 bonds (distance) P-C4' energy: -129.680 flat angles C4'-P-C4' energy: -152.885 flat angles P-C4'-P energy: -105.739 tors. eta vs tors. theta energy: -214.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2359.684411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.684411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.684411 (E_RNA) where: Base-Base interactions energy: -1614.907 where: short stacking energy: -709.778 Base-Backbone interact. energy: -1.756 local terms energy: -743.021428 where: bonds (distance) C4'-P energy: -131.515 bonds (distance) P-C4' energy: -119.059 flat angles C4'-P-C4' energy: -158.847 flat angles P-C4'-P energy: -105.126 tors. eta vs tors. theta energy: -228.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2184.100064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.100064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.100064 (E_RNA) where: Base-Base interactions energy: -1507.335 where: short stacking energy: -649.137 Base-Backbone interact. energy: 2.262 local terms energy: -679.026617 where: bonds (distance) C4'-P energy: -119.021 bonds (distance) P-C4' energy: -130.126 flat angles C4'-P-C4' energy: -136.347 flat angles P-C4'-P energy: -95.422 tors. eta vs tors. theta energy: -198.111 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: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2044.628954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.628954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.628954 (E_RNA) where: Base-Base interactions energy: -1395.932 where: short stacking energy: -624.732 Base-Backbone interact. energy: -2.030 local terms energy: -646.667197 where: bonds (distance) C4'-P energy: -118.047 bonds (distance) P-C4' energy: -122.830 flat angles C4'-P-C4' energy: -132.440 flat angles P-C4'-P energy: -92.126 tors. eta vs tors. theta energy: -181.225 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: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -2060.013014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.013014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.013014 (E_RNA) where: Base-Base interactions energy: -1408.476 where: short stacking energy: -582.004 Base-Backbone interact. energy: -1.624 local terms energy: -649.912930 where: bonds (distance) C4'-P energy: -111.019 bonds (distance) P-C4' energy: -123.215 flat angles C4'-P-C4' energy: -149.776 flat angles P-C4'-P energy: -87.855 tors. eta vs tors. theta energy: -178.047 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: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1750.216874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.216874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.216874 (E_RNA) where: Base-Base interactions energy: -1208.767 where: short stacking energy: -523.975 Base-Backbone interact. energy: -0.853 local terms energy: -540.596709 where: bonds (distance) C4'-P energy: -105.069 bonds (distance) P-C4' energy: -123.947 flat angles C4'-P-C4' energy: -114.258 flat angles P-C4'-P energy: -66.608 tors. eta vs tors. theta energy: -130.715 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: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1564.225296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.225296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.225296 (E_RNA) where: Base-Base interactions energy: -1084.764 where: short stacking energy: -480.561 Base-Backbone interact. energy: 2.573 local terms energy: -482.034373 where: bonds (distance) C4'-P energy: -83.406 bonds (distance) P-C4' energy: -100.766 flat angles C4'-P-C4' energy: -115.518 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: -121.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1336.703667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.703667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.703667 (E_RNA) where: Base-Base interactions energy: -847.523 where: short stacking energy: -384.296 Base-Backbone interact. energy: 3.412 local terms energy: -492.592087 where: bonds (distance) C4'-P energy: -112.293 bonds (distance) P-C4' energy: -110.854 flat angles C4'-P-C4' energy: -130.308 flat angles P-C4'-P energy: -58.876 tors. eta vs tors. theta energy: -80.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -821.373768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.373768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.373768 (E_RNA) where: Base-Base interactions energy: -435.677 where: short stacking energy: -242.018 Base-Backbone interact. energy: 5.518 local terms energy: -391.214737 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -117.885 flat angles C4'-P-C4' energy: -103.682 flat angles P-C4'-P energy: -55.096 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2471.603917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.603917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.603917 (E_RNA) where: Base-Base interactions energy: -1724.990 where: short stacking energy: -726.830 Base-Backbone interact. energy: -3.757 local terms energy: -742.856235 where: bonds (distance) C4'-P energy: -130.539 bonds (distance) P-C4' energy: -129.932 flat angles C4'-P-C4' energy: -160.780 flat angles P-C4'-P energy: -94.943 tors. eta vs tors. theta energy: -226.663 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: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2432.984615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.984615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.984615 (E_RNA) where: Base-Base interactions energy: -1673.998 where: short stacking energy: -704.619 Base-Backbone interact. energy: -2.532 local terms energy: -756.454372 where: bonds (distance) C4'-P energy: -134.537 bonds (distance) P-C4' energy: -135.965 flat angles C4'-P-C4' energy: -158.929 flat angles P-C4'-P energy: -107.646 tors. eta vs tors. theta energy: -219.376 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: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2350.268152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.268152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.268152 (E_RNA) where: Base-Base interactions energy: -1627.255 where: short stacking energy: -721.471 Base-Backbone interact. energy: -3.977 local terms energy: -719.036469 where: bonds (distance) C4'-P energy: -107.749 bonds (distance) P-C4' energy: -126.362 flat angles C4'-P-C4' energy: -145.880 flat angles P-C4'-P energy: -108.227 tors. eta vs tors. theta energy: -230.819 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: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2173.152521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.152521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.152521 (E_RNA) where: Base-Base interactions energy: -1454.478 where: short stacking energy: -623.044 Base-Backbone interact. energy: -1.339 local terms energy: -717.335228 where: bonds (distance) C4'-P energy: -124.635 bonds (distance) P-C4' energy: -134.648 flat angles C4'-P-C4' energy: -152.676 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -205.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2063.150182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.150182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.150182 (E_RNA) where: Base-Base interactions energy: -1437.674 where: short stacking energy: -630.232 Base-Backbone interact. energy: 3.980 local terms energy: -629.455374 where: bonds (distance) C4'-P energy: -99.599 bonds (distance) P-C4' energy: -130.831 flat angles C4'-P-C4' energy: -132.039 flat angles P-C4'-P energy: -87.939 tors. eta vs tors. theta energy: -179.048 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: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -2045.509516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.509516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.509516 (E_RNA) where: Base-Base interactions energy: -1406.699 where: short stacking energy: -594.101 Base-Backbone interact. energy: 0.500 local terms energy: -639.310624 where: bonds (distance) C4'-P energy: -121.511 bonds (distance) P-C4' energy: -119.263 flat angles C4'-P-C4' energy: -146.848 flat angles P-C4'-P energy: -84.286 tors. eta vs tors. theta energy: -167.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1736.760604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.760604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.760604 (E_RNA) where: Base-Base interactions energy: -1180.625 where: short stacking energy: -527.620 Base-Backbone interact. energy: -2.673 local terms energy: -553.462685 where: bonds (distance) C4'-P energy: -108.881 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -125.401 flat angles P-C4'-P energy: -89.958 tors. eta vs tors. theta energy: -139.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1570.665594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.665594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.665594 (E_RNA) where: Base-Base interactions energy: -1057.622 where: short stacking energy: -446.775 Base-Backbone interact. energy: 5.983 local terms energy: -519.027093 where: bonds (distance) C4'-P energy: -111.027 bonds (distance) P-C4' energy: -112.102 flat angles C4'-P-C4' energy: -112.961 flat angles P-C4'-P energy: -68.141 tors. eta vs tors. theta energy: -114.797 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: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1330.981838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.981838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.981838 (E_RNA) where: Base-Base interactions energy: -857.472 where: short stacking energy: -370.068 Base-Backbone interact. energy: -1.845 local terms energy: -471.664831 where: bonds (distance) C4'-P energy: -116.214 bonds (distance) P-C4' energy: -123.429 flat angles C4'-P-C4' energy: -85.048 flat angles P-C4'-P energy: -82.892 tors. eta vs tors. theta energy: -64.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -848.273122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.273122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.273122 (E_RNA) where: Base-Base interactions energy: -456.104 where: short stacking energy: -248.187 Base-Backbone interact. energy: 5.911 local terms energy: -398.079684 where: bonds (distance) C4'-P energy: -117.600 bonds (distance) P-C4' energy: -107.408 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -79.899 tors. eta vs tors. theta energy: -13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2481.063035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.063035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.063035 (E_RNA) where: Base-Base interactions energy: -1735.770 where: short stacking energy: -744.160 Base-Backbone interact. energy: -0.925 local terms energy: -744.367897 where: bonds (distance) C4'-P energy: -135.300 bonds (distance) P-C4' energy: -126.950 flat angles C4'-P-C4' energy: -153.642 flat angles P-C4'-P energy: -104.232 tors. eta vs tors. theta energy: -224.244 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: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2435.045262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.045262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.045262 (E_RNA) where: Base-Base interactions energy: -1708.357 where: short stacking energy: -698.896 Base-Backbone interact. energy: -4.051 local terms energy: -722.637136 where: bonds (distance) C4'-P energy: -128.892 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -153.422 flat angles P-C4'-P energy: -113.053 tors. eta vs tors. theta energy: -196.690 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: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2379.357914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.357914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.357914 (E_RNA) where: Base-Base interactions energy: -1637.513 where: short stacking energy: -722.208 Base-Backbone interact. energy: -0.334 local terms energy: -741.510701 where: bonds (distance) C4'-P energy: -127.040 bonds (distance) P-C4' energy: -136.073 flat angles C4'-P-C4' energy: -151.411 flat angles P-C4'-P energy: -103.879 tors. eta vs tors. theta energy: -223.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2182.022696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.022696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.022696 (E_RNA) where: Base-Base interactions energy: -1502.353 where: short stacking energy: -679.167 Base-Backbone interact. energy: 3.334 local terms energy: -683.003382 where: bonds (distance) C4'-P energy: -123.796 bonds (distance) P-C4' energy: -123.818 flat angles C4'-P-C4' energy: -140.612 flat angles P-C4'-P energy: -90.760 tors. eta vs tors. theta energy: -204.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2105.407681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.407681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.407681 (E_RNA) where: Base-Base interactions energy: -1437.273 where: short stacking energy: -633.521 Base-Backbone interact. energy: -2.818 local terms energy: -665.316714 where: bonds (distance) C4'-P energy: -118.947 bonds (distance) P-C4' energy: -125.776 flat angles C4'-P-C4' energy: -150.530 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -188.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2004.425491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.425491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.425491 (E_RNA) where: Base-Base interactions energy: -1404.938 where: short stacking energy: -586.768 Base-Backbone interact. energy: 0.572 local terms energy: -600.059053 where: bonds (distance) C4'-P energy: -104.192 bonds (distance) P-C4' energy: -116.591 flat angles C4'-P-C4' energy: -124.124 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -157.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1714.333845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.333845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.333845 (E_RNA) where: Base-Base interactions energy: -1170.721 where: short stacking energy: -503.809 Base-Backbone interact. energy: -2.130 local terms energy: -541.482006 where: bonds (distance) C4'-P energy: -108.416 bonds (distance) P-C4' energy: -113.450 flat angles C4'-P-C4' energy: -113.571 flat angles P-C4'-P energy: -73.622 tors. eta vs tors. theta energy: -132.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1581.201064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.201064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.201064 (E_RNA) where: Base-Base interactions energy: -1052.353 where: short stacking energy: -470.439 Base-Backbone interact. energy: 1.885 local terms energy: -530.733158 where: bonds (distance) C4'-P energy: -126.152 bonds (distance) P-C4' energy: -101.801 flat angles C4'-P-C4' energy: -126.332 flat angles P-C4'-P energy: -69.596 tors. eta vs tors. theta energy: -106.852 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1314.846237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.846237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.846237 (E_RNA) where: Base-Base interactions energy: -844.928 where: short stacking energy: -371.376 Base-Backbone interact. energy: -3.397 local terms energy: -466.521873 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -123.719 flat angles C4'-P-C4' energy: -118.270 flat angles P-C4'-P energy: -58.325 tors. eta vs tors. theta energy: -77.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -825.237020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.237020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.237020 (E_RNA) where: Base-Base interactions energy: -409.284 where: short stacking energy: -221.386 Base-Backbone interact. energy: -1.151 local terms energy: -414.802867 where: bonds (distance) C4'-P energy: -107.163 bonds (distance) P-C4' energy: -119.339 flat angles C4'-P-C4' energy: -111.206 flat angles P-C4'-P energy: -60.577 tors. eta vs tors. theta energy: -16.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2487.805211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.805211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.805211 (E_RNA) where: Base-Base interactions energy: -1767.391 where: short stacking energy: -743.292 Base-Backbone interact. energy: -2.315 local terms energy: -718.098814 where: bonds (distance) C4'-P energy: -124.214 bonds (distance) P-C4' energy: -133.378 flat angles C4'-P-C4' energy: -146.624 flat angles P-C4'-P energy: -89.726 tors. eta vs tors. theta energy: -224.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2425.392570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.392570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.392570 (E_RNA) where: Base-Base interactions energy: -1721.481 where: short stacking energy: -708.343 Base-Backbone interact. energy: 5.180 local terms energy: -709.091696 where: bonds (distance) C4'-P energy: -137.241 bonds (distance) P-C4' energy: -122.903 flat angles C4'-P-C4' energy: -139.374 flat angles P-C4'-P energy: -102.275 tors. eta vs tors. theta energy: -207.298 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: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2377.926619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.926619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.926619 (E_RNA) where: Base-Base interactions energy: -1624.511 where: short stacking energy: -710.642 Base-Backbone interact. energy: -2.937 local terms energy: -750.478723 where: bonds (distance) C4'-P energy: -132.508 bonds (distance) P-C4' energy: -133.390 flat angles C4'-P-C4' energy: -153.896 flat angles P-C4'-P energy: -106.530 tors. eta vs tors. theta energy: -224.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2185.488291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.488291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.488291 (E_RNA) where: Base-Base interactions energy: -1491.857 where: short stacking energy: -638.461 Base-Backbone interact. energy: -2.814 local terms energy: -690.817521 where: bonds (distance) C4'-P energy: -127.973 bonds (distance) P-C4' energy: -110.782 flat angles C4'-P-C4' energy: -143.689 flat angles P-C4'-P energy: -109.193 tors. eta vs tors. theta energy: -199.181 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: 36 Temperature: 1.100000 Total energy: -2066.288892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.288892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.288892 (E_RNA) where: Base-Base interactions energy: -1437.167 where: short stacking energy: -608.880 Base-Backbone interact. energy: -3.085 local terms energy: -626.036869 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -98.629 flat angles C4'-P-C4' energy: -143.181 flat angles P-C4'-P energy: -101.993 tors. eta vs tors. theta energy: -167.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1969.437583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.437583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.437583 (E_RNA) where: Base-Base interactions energy: -1342.699 where: short stacking energy: -568.161 Base-Backbone interact. energy: -2.394 local terms energy: -624.344430 where: bonds (distance) C4'-P energy: -121.827 bonds (distance) P-C4' energy: -118.396 flat angles C4'-P-C4' energy: -120.838 flat angles P-C4'-P energy: -96.050 tors. eta vs tors. theta energy: -167.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1709.700381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.700381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.700381 (E_RNA) where: Base-Base interactions energy: -1132.411 where: short stacking energy: -490.551 Base-Backbone interact. energy: 0.000 local terms energy: -577.289758 where: bonds (distance) C4'-P energy: -114.899 bonds (distance) P-C4' energy: -116.823 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -72.609 tors. eta vs tors. theta energy: -139.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1544.379457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.379457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.379457 (E_RNA) where: Base-Base interactions energy: -1060.745 where: short stacking energy: -460.348 Base-Backbone interact. energy: 0.818 local terms energy: -484.453433 where: bonds (distance) C4'-P energy: -103.898 bonds (distance) P-C4' energy: -106.171 flat angles C4'-P-C4' energy: -104.882 flat angles P-C4'-P energy: -65.265 tors. eta vs tors. theta energy: -104.238 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: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1424.859068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.859068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.859068 (E_RNA) where: Base-Base interactions energy: -913.331 where: short stacking energy: -392.299 Base-Backbone interact. energy: -2.604 local terms energy: -508.924085 where: bonds (distance) C4'-P energy: -99.802 bonds (distance) P-C4' energy: -122.840 flat angles C4'-P-C4' energy: -124.000 flat angles P-C4'-P energy: -84.061 tors. eta vs tors. theta energy: -78.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -849.387780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.387780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.387780 (E_RNA) where: Base-Base interactions energy: -461.766 where: short stacking energy: -251.194 Base-Backbone interact. energy: 2.835 local terms energy: -390.456526 where: bonds (distance) C4'-P energy: -86.415 bonds (distance) P-C4' energy: -123.112 flat angles C4'-P-C4' energy: -107.437 flat angles P-C4'-P energy: -67.473 tors. eta vs tors. theta energy: -6.019 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: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2483.115655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.115655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.115655 (E_RNA) where: Base-Base interactions energy: -1728.424 where: short stacking energy: -728.702 Base-Backbone interact. energy: -1.535 local terms energy: -753.157119 where: bonds (distance) C4'-P energy: -128.343 bonds (distance) P-C4' energy: -141.723 flat angles C4'-P-C4' energy: -158.308 flat angles P-C4'-P energy: -103.650 tors. eta vs tors. theta energy: -221.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2434.484547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.484547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.484547 (E_RNA) where: Base-Base interactions energy: -1664.599 where: short stacking energy: -723.959 Base-Backbone interact. energy: -3.150 local terms energy: -766.736029 where: bonds (distance) C4'-P energy: -127.644 bonds (distance) P-C4' energy: -129.731 flat angles C4'-P-C4' energy: -162.326 flat angles P-C4'-P energy: -117.557 tors. eta vs tors. theta energy: -229.479 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: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2378.950400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.950400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.950400 (E_RNA) where: Base-Base interactions energy: -1677.699 where: short stacking energy: -692.066 Base-Backbone interact. energy: 9.956 local terms energy: -711.206911 where: bonds (distance) C4'-P energy: -123.876 bonds (distance) P-C4' energy: -130.935 flat angles C4'-P-C4' energy: -153.662 flat angles P-C4'-P energy: -93.559 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: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2207.477307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.477307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.477307 (E_RNA) where: Base-Base interactions energy: -1515.917 where: short stacking energy: -663.580 Base-Backbone interact. energy: -1.656 local terms energy: -689.904019 where: bonds (distance) C4'-P energy: -128.293 bonds (distance) P-C4' energy: -118.365 flat angles C4'-P-C4' energy: -152.026 flat angles P-C4'-P energy: -92.371 tors. eta vs tors. theta energy: -198.848 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: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2091.186445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.186445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.186445 (E_RNA) where: Base-Base interactions energy: -1438.978 where: short stacking energy: -613.402 Base-Backbone interact. energy: -0.288 local terms energy: -651.920681 where: bonds (distance) C4'-P energy: -113.168 bonds (distance) P-C4' energy: -131.925 flat angles C4'-P-C4' energy: -127.933 flat angles P-C4'-P energy: -96.949 tors. eta vs tors. theta energy: -181.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1941.622210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.622210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.622210 (E_RNA) where: Base-Base interactions energy: -1344.297 where: short stacking energy: -575.674 Base-Backbone interact. energy: -2.124 local terms energy: -595.201612 where: bonds (distance) C4'-P energy: -108.749 bonds (distance) P-C4' energy: -115.160 flat angles C4'-P-C4' energy: -133.461 flat angles P-C4'-P energy: -80.388 tors. eta vs tors. theta energy: -157.444 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: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1683.222348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.222348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.222348 (E_RNA) where: Base-Base interactions energy: -1093.249 where: short stacking energy: -468.163 Base-Backbone interact. energy: 1.296 local terms energy: -591.269474 where: bonds (distance) C4'-P energy: -121.077 bonds (distance) P-C4' energy: -121.001 flat angles C4'-P-C4' energy: -135.294 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -137.854 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: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1433.823561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.823561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.823561 (E_RNA) where: Base-Base interactions energy: -919.421 where: short stacking energy: -415.983 Base-Backbone interact. energy: -2.504 local terms energy: -511.898055 where: bonds (distance) C4'-P energy: -115.489 bonds (distance) P-C4' energy: -114.966 flat angles C4'-P-C4' energy: -111.615 flat angles P-C4'-P energy: -90.956 tors. eta vs tors. theta energy: -78.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1462.134912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.134912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.134912 (E_RNA) where: Base-Base interactions energy: -955.440 where: short stacking energy: -416.640 Base-Backbone interact. energy: 3.304 local terms energy: -509.999113 where: bonds (distance) C4'-P energy: -91.978 bonds (distance) P-C4' energy: -107.746 flat angles C4'-P-C4' energy: -119.103 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: -119.339 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: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -897.541789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.541789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.541789 (E_RNA) where: Base-Base interactions energy: -509.355 where: short stacking energy: -240.218 Base-Backbone interact. energy: 1.237 local terms energy: -389.423860 where: bonds (distance) C4'-P energy: -112.635 bonds (distance) P-C4' energy: -88.227 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -57.935 tors. eta vs tors. theta energy: -29.168 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: 38 Temperature: 0.900000 Total energy: -2457.004491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.004491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.004491 (E_RNA) where: Base-Base interactions energy: -1723.272 where: short stacking energy: -710.092 Base-Backbone interact. energy: -1.781 local terms energy: -731.951069 where: bonds (distance) C4'-P energy: -125.586 bonds (distance) P-C4' energy: -139.616 flat angles C4'-P-C4' energy: -152.996 flat angles P-C4'-P energy: -102.378 tors. eta vs tors. theta energy: -211.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2417.742988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.742988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.742988 (E_RNA) where: Base-Base interactions energy: -1674.444 where: short stacking energy: -731.166 Base-Backbone interact. energy: 0.096 local terms energy: -743.395711 where: bonds (distance) C4'-P energy: -126.357 bonds (distance) P-C4' energy: -140.668 flat angles C4'-P-C4' energy: -140.278 flat angles P-C4'-P energy: -105.721 tors. eta vs tors. theta energy: -230.372 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: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2348.321937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.321937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.321937 (E_RNA) where: Base-Base interactions energy: -1653.035 where: short stacking energy: -698.829 Base-Backbone interact. energy: 4.434 local terms energy: -699.721302 where: bonds (distance) C4'-P energy: -128.798 bonds (distance) P-C4' energy: -123.116 flat angles C4'-P-C4' energy: -152.861 flat angles P-C4'-P energy: -88.366 tors. eta vs tors. theta energy: -206.581 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: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2209.014303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.014303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.014303 (E_RNA) where: Base-Base interactions energy: -1539.826 where: short stacking energy: -664.459 Base-Backbone interact. energy: -1.706 local terms energy: -667.483043 where: bonds (distance) C4'-P energy: -122.634 bonds (distance) P-C4' energy: -107.706 flat angles C4'-P-C4' energy: -152.422 flat angles P-C4'-P energy: -85.516 tors. eta vs tors. theta energy: -199.204 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: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2138.830525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.830525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.830525 (E_RNA) where: Base-Base interactions energy: -1465.307 where: short stacking energy: -619.558 Base-Backbone interact. energy: -1.716 local terms energy: -671.806932 where: bonds (distance) C4'-P energy: -134.010 bonds (distance) P-C4' energy: -126.319 flat angles C4'-P-C4' energy: -129.956 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -186.680 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: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -2045.453459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.453459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.453459 (E_RNA) where: Base-Base interactions energy: -1408.047 where: short stacking energy: -617.404 Base-Backbone interact. energy: -1.748 local terms energy: -635.658402 where: bonds (distance) C4'-P energy: -106.119 bonds (distance) P-C4' energy: -125.259 flat angles C4'-P-C4' energy: -140.286 flat angles P-C4'-P energy: -84.000 tors. eta vs tors. theta energy: -179.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1700.280798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.280798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.280798 (E_RNA) where: Base-Base interactions energy: -1150.748 where: short stacking energy: -511.213 Base-Backbone interact. energy: -0.945 local terms energy: -548.587862 where: bonds (distance) C4'-P energy: -109.790 bonds (distance) P-C4' energy: -118.865 flat angles C4'-P-C4' energy: -108.981 flat angles P-C4'-P energy: -82.272 tors. eta vs tors. theta energy: -128.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1391.199442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.199442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.199442 (E_RNA) where: Base-Base interactions energy: -903.368 where: short stacking energy: -408.155 Base-Backbone interact. energy: -0.330 local terms energy: -487.501795 where: bonds (distance) C4'-P energy: -104.256 bonds (distance) P-C4' energy: -125.613 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -64.004 tors. eta vs tors. theta energy: -87.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1397.068566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.068566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.068566 (E_RNA) where: Base-Base interactions energy: -942.055 where: short stacking energy: -400.064 Base-Backbone interact. energy: -1.257 local terms energy: -453.755891 where: bonds (distance) C4'-P energy: -106.444 bonds (distance) P-C4' energy: -90.646 flat angles C4'-P-C4' energy: -94.001 flat angles P-C4'-P energy: -66.601 tors. eta vs tors. theta energy: -96.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -928.044409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.044409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.044409 (E_RNA) where: Base-Base interactions energy: -544.043 where: short stacking energy: -275.328 Base-Backbone interact. energy: -1.561 local terms energy: -382.441298 where: bonds (distance) C4'-P energy: -86.123 bonds (distance) P-C4' energy: -111.851 flat angles C4'-P-C4' energy: -89.043 flat angles P-C4'-P energy: -72.078 tors. eta vs tors. theta energy: -23.346 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: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2484.364518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.364518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.364518 (E_RNA) where: Base-Base interactions energy: -1758.511 where: short stacking energy: -729.467 Base-Backbone interact. energy: 0.323 local terms energy: -726.176016 where: bonds (distance) C4'-P energy: -131.419 bonds (distance) P-C4' energy: -126.307 flat angles C4'-P-C4' energy: -138.746 flat angles P-C4'-P energy: -106.613 tors. eta vs tors. theta energy: -223.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2434.794671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.794671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.794671 (E_RNA) where: Base-Base interactions energy: -1678.278 where: short stacking energy: -733.545 Base-Backbone interact. energy: -1.952 local terms energy: -754.564320 where: bonds (distance) C4'-P energy: -142.181 bonds (distance) P-C4' energy: -126.415 flat angles C4'-P-C4' energy: -155.166 flat angles P-C4'-P energy: -100.895 tors. eta vs tors. theta energy: -229.907 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: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2326.847861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.847861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.847861 (E_RNA) where: Base-Base interactions energy: -1634.076 where: short stacking energy: -697.547 Base-Backbone interact. energy: -1.236 local terms energy: -691.535502 where: bonds (distance) C4'-P energy: -120.784 bonds (distance) P-C4' energy: -119.399 flat angles C4'-P-C4' energy: -143.328 flat angles P-C4'-P energy: -99.059 tors. eta vs tors. theta energy: -208.966 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: 39 Temperature: 1.050000 Total energy: -2197.553160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.553160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.553160 (E_RNA) where: Base-Base interactions energy: -1525.681 where: short stacking energy: -628.175 Base-Backbone interact. energy: -4.231 local terms energy: -667.641022 where: bonds (distance) C4'-P energy: -126.044 bonds (distance) P-C4' energy: -127.280 flat angles C4'-P-C4' energy: -130.395 flat angles P-C4'-P energy: -92.978 tors. eta vs tors. theta energy: -190.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2127.744852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.744852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.744852 (E_RNA) where: Base-Base interactions energy: -1464.846 where: short stacking energy: -640.295 Base-Backbone interact. energy: -1.541 local terms energy: -661.358033 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -114.931 flat angles C4'-P-C4' energy: -132.123 flat angles P-C4'-P energy: -101.220 tors. eta vs tors. theta energy: -193.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -2056.480860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.480860 (E_RNA) where: Base-Base interactions energy: -1426.979 where: short stacking energy: -621.815 Base-Backbone interact. energy: -1.553 local terms energy: -627.949132 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -110.600 flat angles C4'-P-C4' energy: -133.074 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -180.474 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: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1723.905412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.905412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.905412 (E_RNA) where: Base-Base interactions energy: -1177.105 where: short stacking energy: -530.387 Base-Backbone interact. energy: 6.042 local terms energy: -552.842807 where: bonds (distance) C4'-P energy: -123.265 bonds (distance) P-C4' energy: -102.792 flat angles C4'-P-C4' energy: -116.331 flat angles P-C4'-P energy: -84.310 tors. eta vs tors. theta energy: -126.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1381.914409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.914409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.914409 (E_RNA) where: Base-Base interactions energy: -857.107 where: short stacking energy: -422.311 Base-Backbone interact. energy: -1.907 local terms energy: -522.900771 where: bonds (distance) C4'-P energy: -110.085 bonds (distance) P-C4' energy: -117.094 flat angles C4'-P-C4' energy: -122.022 flat angles P-C4'-P energy: -86.684 tors. eta vs tors. theta energy: -87.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1289.993265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.993265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.993265 (E_RNA) where: Base-Base interactions energy: -841.778 where: short stacking energy: -391.803 Base-Backbone interact. energy: -3.600 local terms energy: -444.615442 where: bonds (distance) C4'-P energy: -100.089 bonds (distance) P-C4' energy: -111.731 flat angles C4'-P-C4' energy: -98.672 flat angles P-C4'-P energy: -63.237 tors. eta vs tors. theta energy: -70.886 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: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -839.631217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.631217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.631217 (E_RNA) where: Base-Base interactions energy: -409.845 where: short stacking energy: -198.806 Base-Backbone interact. energy: 1.805 local terms energy: -431.591188 where: bonds (distance) C4'-P energy: -108.199 bonds (distance) P-C4' energy: -125.652 flat angles C4'-P-C4' energy: -111.505 flat angles P-C4'-P energy: -69.616 tors. eta vs tors. theta energy: -16.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2468.122621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.122621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.122621 (E_RNA) where: Base-Base interactions energy: -1714.987 where: short stacking energy: -709.429 Base-Backbone interact. energy: -1.333 local terms energy: -751.801972 where: bonds (distance) C4'-P energy: -136.200 bonds (distance) P-C4' energy: -135.180 flat angles C4'-P-C4' energy: -143.355 flat angles P-C4'-P energy: -122.585 tors. eta vs tors. theta energy: -214.482 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: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2462.048211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.048211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.048211 (E_RNA) where: Base-Base interactions energy: -1713.198 where: short stacking energy: -750.170 Base-Backbone interact. energy: -2.168 local terms energy: -746.682430 where: bonds (distance) C4'-P energy: -119.766 bonds (distance) P-C4' energy: -128.679 flat angles C4'-P-C4' energy: -148.058 flat angles P-C4'-P energy: -114.478 tors. eta vs tors. theta energy: -235.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2352.143231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.143231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.143231 (E_RNA) where: Base-Base interactions energy: -1625.627 where: short stacking energy: -690.728 Base-Backbone interact. energy: -2.940 local terms energy: -723.576528 where: bonds (distance) C4'-P energy: -127.283 bonds (distance) P-C4' energy: -132.561 flat angles C4'-P-C4' energy: -151.773 flat angles P-C4'-P energy: -102.772 tors. eta vs tors. theta energy: -209.187 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: 40 Temperature: 1.050000 Total energy: -2216.319695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.319695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.319695 (E_RNA) where: Base-Base interactions energy: -1525.111 where: short stacking energy: -632.710 Base-Backbone interact. energy: -0.048 local terms energy: -691.160347 where: bonds (distance) C4'-P energy: -124.219 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -143.992 flat angles P-C4'-P energy: -96.726 tors. eta vs tors. theta energy: -195.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2101.852733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.852733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.852733 (E_RNA) where: Base-Base interactions energy: -1473.537 where: short stacking energy: -637.858 Base-Backbone interact. energy: 1.025 local terms energy: -629.340208 where: bonds (distance) C4'-P energy: -104.457 bonds (distance) P-C4' energy: -132.193 flat angles C4'-P-C4' energy: -134.700 flat angles P-C4'-P energy: -76.099 tors. eta vs tors. theta energy: -181.892 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: 40 Temperature: 1.150000 Total energy: -2020.232322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.232322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.232322 (E_RNA) where: Base-Base interactions energy: -1408.181 where: short stacking energy: -610.666 Base-Backbone interact. energy: 2.163 local terms energy: -614.214755 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -105.201 flat angles C4'-P-C4' energy: -139.351 flat angles P-C4'-P energy: -78.812 tors. eta vs tors. theta energy: -176.242 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: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1715.127110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.127110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.127110 (E_RNA) where: Base-Base interactions energy: -1200.497 where: short stacking energy: -510.212 Base-Backbone interact. energy: -0.066 local terms energy: -514.563620 where: bonds (distance) C4'-P energy: -101.888 bonds (distance) P-C4' energy: -113.496 flat angles C4'-P-C4' energy: -119.888 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -132.514 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: 40 Temperature: 1.250000 Total energy: -1389.516610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.516610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.516610 (E_RNA) where: Base-Base interactions energy: -860.061 where: short stacking energy: -420.335 Base-Backbone interact. energy: -0.819 local terms energy: -528.637403 where: bonds (distance) C4'-P energy: -123.413 bonds (distance) P-C4' energy: -115.397 flat angles C4'-P-C4' energy: -122.878 flat angles P-C4'-P energy: -69.670 tors. eta vs tors. theta energy: -97.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1312.057172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.057172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.057172 (E_RNA) where: Base-Base interactions energy: -859.776 where: short stacking energy: -355.164 Base-Backbone interact. energy: 1.173 local terms energy: -453.454653 where: bonds (distance) C4'-P energy: -104.534 bonds (distance) P-C4' energy: -102.855 flat angles C4'-P-C4' energy: -107.975 flat angles P-C4'-P energy: -67.952 tors. eta vs tors. theta energy: -70.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -833.309921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.309921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.309921 (E_RNA) where: Base-Base interactions energy: -442.477 where: short stacking energy: -219.843 Base-Backbone interact. energy: 1.805 local terms energy: -392.638323 where: bonds (distance) C4'-P energy: -103.826 bonds (distance) P-C4' energy: -113.360 flat angles C4'-P-C4' energy: -119.378 flat angles P-C4'-P energy: -58.078 tors. eta vs tors. theta energy: 2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2481.296134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.296134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.296134 (E_RNA) where: Base-Base interactions energy: -1739.219 where: short stacking energy: -723.077 Base-Backbone interact. energy: -2.602 local terms energy: -739.475434 where: bonds (distance) C4'-P energy: -126.832 bonds (distance) P-C4' energy: -136.586 flat angles C4'-P-C4' energy: -154.978 flat angles P-C4'-P energy: -104.928 tors. eta vs tors. theta energy: -216.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2455.753047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.753047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.753047 (E_RNA) where: Base-Base interactions energy: -1712.409 where: short stacking energy: -745.229 Base-Backbone interact. energy: -3.514 local terms energy: -739.830729 where: bonds (distance) C4'-P energy: -116.482 bonds (distance) P-C4' energy: -125.954 flat angles C4'-P-C4' energy: -158.249 flat angles P-C4'-P energy: -112.113 tors. eta vs tors. theta energy: -227.034 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: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2381.458110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.458110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.458110 (E_RNA) where: Base-Base interactions energy: -1653.160 where: short stacking energy: -722.786 Base-Backbone interact. energy: -3.373 local terms energy: -724.924879 where: bonds (distance) C4'-P energy: -117.610 bonds (distance) P-C4' energy: -134.025 flat angles C4'-P-C4' energy: -151.909 flat angles P-C4'-P energy: -101.364 tors. eta vs tors. theta energy: -220.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2235.070635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.070635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.070635 (E_RNA) where: Base-Base interactions energy: -1535.205 where: short stacking energy: -635.097 Base-Backbone interact. energy: -1.733 local terms energy: -698.133145 where: bonds (distance) C4'-P energy: -137.958 bonds (distance) P-C4' energy: -132.903 flat angles C4'-P-C4' energy: -145.587 flat angles P-C4'-P energy: -93.573 tors. eta vs tors. theta energy: -188.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2051.309055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.309055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.309055 (E_RNA) where: Base-Base interactions energy: -1403.185 where: short stacking energy: -625.671 Base-Backbone interact. energy: 2.377 local terms energy: -650.501322 where: bonds (distance) C4'-P energy: -115.538 bonds (distance) P-C4' energy: -105.559 flat angles C4'-P-C4' energy: -149.104 flat angles P-C4'-P energy: -100.170 tors. eta vs tors. theta energy: -180.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2011.719862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.719862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.719862 (E_RNA) where: Base-Base interactions energy: -1381.052 where: short stacking energy: -610.737 Base-Backbone interact. energy: -1.772 local terms energy: -628.896132 where: bonds (distance) C4'-P energy: -108.838 bonds (distance) P-C4' energy: -106.921 flat angles C4'-P-C4' energy: -143.226 flat angles P-C4'-P energy: -86.832 tors. eta vs tors. theta energy: -183.078 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: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1725.992887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.992887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.992887 (E_RNA) where: Base-Base interactions energy: -1148.893 where: short stacking energy: -507.927 Base-Backbone interact. energy: -0.781 local terms energy: -576.318618 where: bonds (distance) C4'-P energy: -112.321 bonds (distance) P-C4' energy: -108.148 flat angles C4'-P-C4' energy: -123.357 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: -146.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1420.675570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.675570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.675570 (E_RNA) where: Base-Base interactions energy: -909.349 where: short stacking energy: -423.150 Base-Backbone interact. energy: -3.011 local terms energy: -508.315577 where: bonds (distance) C4'-P energy: -102.069 bonds (distance) P-C4' energy: -107.457 flat angles C4'-P-C4' energy: -130.024 flat angles P-C4'-P energy: -78.307 tors. eta vs tors. theta energy: -90.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1292.201047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.201047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.201047 (E_RNA) where: Base-Base interactions energy: -828.869 where: short stacking energy: -379.230 Base-Backbone interact. energy: 1.903 local terms energy: -465.234903 where: bonds (distance) C4'-P energy: -100.303 bonds (distance) P-C4' energy: -101.266 flat angles C4'-P-C4' energy: -110.660 flat angles P-C4'-P energy: -62.588 tors. eta vs tors. theta energy: -90.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -837.254334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.254334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.254334 (E_RNA) where: Base-Base interactions energy: -463.106 where: short stacking energy: -265.961 Base-Backbone interact. energy: -2.003 local terms energy: -372.145715 where: bonds (distance) C4'-P energy: -75.793 bonds (distance) P-C4' energy: -106.085 flat angles C4'-P-C4' energy: -93.936 flat angles P-C4'-P energy: -67.719 tors. eta vs tors. theta energy: -28.613 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: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2476.703928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.703928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.703928 (E_RNA) where: Base-Base interactions energy: -1714.081 where: short stacking energy: -723.321 Base-Backbone interact. energy: -0.992 local terms energy: -761.631071 where: bonds (distance) C4'-P energy: -141.288 bonds (distance) P-C4' energy: -140.304 flat angles C4'-P-C4' energy: -156.223 flat angles P-C4'-P energy: -110.588 tors. eta vs tors. theta energy: -213.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2448.018112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.018112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.018112 (E_RNA) where: Base-Base interactions energy: -1672.821 where: short stacking energy: -736.882 Base-Backbone interact. energy: -2.288 local terms energy: -772.909533 where: bonds (distance) C4'-P energy: -143.923 bonds (distance) P-C4' energy: -138.389 flat angles C4'-P-C4' energy: -154.574 flat angles P-C4'-P energy: -109.510 tors. eta vs tors. theta energy: -226.514 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: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2338.610609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.610609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.610609 (E_RNA) where: Base-Base interactions energy: -1614.381 where: short stacking energy: -676.503 Base-Backbone interact. energy: -3.665 local terms energy: -720.564949 where: bonds (distance) C4'-P energy: -129.724 bonds (distance) P-C4' energy: -124.955 flat angles C4'-P-C4' energy: -144.725 flat angles P-C4'-P energy: -106.231 tors. eta vs tors. theta energy: -214.929 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: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2208.209558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.209558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.209558 (E_RNA) where: Base-Base interactions energy: -1527.874 where: short stacking energy: -653.266 Base-Backbone interact. energy: -2.434 local terms energy: -677.900895 where: bonds (distance) C4'-P energy: -127.771 bonds (distance) P-C4' energy: -115.753 flat angles C4'-P-C4' energy: -151.023 flat angles P-C4'-P energy: -92.167 tors. eta vs tors. theta energy: -191.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2047.513086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.513086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.513086 (E_RNA) where: Base-Base interactions energy: -1407.902 where: short stacking energy: -617.187 Base-Backbone interact. energy: -3.500 local terms energy: -636.111155 where: bonds (distance) C4'-P energy: -106.543 bonds (distance) P-C4' energy: -109.994 flat angles C4'-P-C4' energy: -140.958 flat angles P-C4'-P energy: -101.618 tors. eta vs tors. theta energy: -176.997 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: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2034.533052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.533052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.533052 (E_RNA) where: Base-Base interactions energy: -1384.564 where: short stacking energy: -604.406 Base-Backbone interact. energy: -2.922 local terms energy: -647.046559 where: bonds (distance) C4'-P energy: -113.128 bonds (distance) P-C4' energy: -98.387 flat angles C4'-P-C4' energy: -160.577 flat angles P-C4'-P energy: -83.508 tors. eta vs tors. theta energy: -191.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1646.496029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.496029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.496029 (E_RNA) where: Base-Base interactions energy: -1123.700 where: short stacking energy: -489.069 Base-Backbone interact. energy: 0.188 local terms energy: -522.983561 where: bonds (distance) C4'-P energy: -109.907 bonds (distance) P-C4' energy: -105.906 flat angles C4'-P-C4' energy: -100.999 flat angles P-C4'-P energy: -78.108 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: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1457.714407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.714407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.714407 (E_RNA) where: Base-Base interactions energy: -954.271 where: short stacking energy: -434.601 Base-Backbone interact. energy: -1.416 local terms energy: -502.027341 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -123.301 flat angles C4'-P-C4' energy: -126.042 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -99.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1271.512166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.512166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.512166 (E_RNA) where: Base-Base interactions energy: -826.052 where: short stacking energy: -359.557 Base-Backbone interact. energy: -1.860 local terms energy: -443.599664 where: bonds (distance) C4'-P energy: -96.639 bonds (distance) P-C4' energy: -114.043 flat angles C4'-P-C4' energy: -108.393 flat angles P-C4'-P energy: -63.080 tors. eta vs tors. theta energy: -61.445 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: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -811.215746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.215746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.215746 (E_RNA) where: Base-Base interactions energy: -411.071 where: short stacking energy: -198.351 Base-Backbone interact. energy: 4.249 local terms energy: -404.394418 where: bonds (distance) C4'-P energy: -104.029 bonds (distance) P-C4' energy: -113.990 flat angles C4'-P-C4' energy: -105.155 flat angles P-C4'-P energy: -67.614 tors. eta vs tors. theta energy: -13.607 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: 43 Temperature: 0.900000 Total energy: -2473.587199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.587199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.587199 (E_RNA) where: Base-Base interactions energy: -1729.066 where: short stacking energy: -716.789 Base-Backbone interact. energy: -2.008 local terms energy: -742.512734 where: bonds (distance) C4'-P energy: -136.387 bonds (distance) P-C4' energy: -131.412 flat angles C4'-P-C4' energy: -154.457 flat angles P-C4'-P energy: -106.648 tors. eta vs tors. theta energy: -213.609 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: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2426.686783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.686783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.686783 (E_RNA) where: Base-Base interactions energy: -1687.166 where: short stacking energy: -737.947 Base-Backbone interact. energy: -1.869 local terms energy: -737.651703 where: bonds (distance) C4'-P energy: -117.517 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -155.927 flat angles P-C4'-P energy: -113.534 tors. eta vs tors. theta energy: -222.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2323.867253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.867253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.867253 (E_RNA) where: Base-Base interactions energy: -1617.515 where: short stacking energy: -700.175 Base-Backbone interact. energy: -5.084 local terms energy: -701.268291 where: bonds (distance) C4'-P energy: -113.902 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -148.697 flat angles P-C4'-P energy: -92.025 tors. eta vs tors. theta energy: -216.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2168.446743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.446743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.446743 (E_RNA) where: Base-Base interactions energy: -1506.515 where: short stacking energy: -658.552 Base-Backbone interact. energy: -0.803 local terms energy: -661.129080 where: bonds (distance) C4'-P energy: -109.021 bonds (distance) P-C4' energy: -113.043 flat angles C4'-P-C4' energy: -139.206 flat angles P-C4'-P energy: -108.782 tors. eta vs tors. theta energy: -191.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2159.683493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.683493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.683493 (E_RNA) where: Base-Base interactions energy: -1508.158 where: short stacking energy: -615.307 Base-Backbone interact. energy: 1.638 local terms energy: -653.162851 where: bonds (distance) C4'-P energy: -119.244 bonds (distance) P-C4' energy: -128.917 flat angles C4'-P-C4' energy: -136.257 flat angles P-C4'-P energy: -91.128 tors. eta vs tors. theta energy: -177.618 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: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1995.455235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.455235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.455235 (E_RNA) where: Base-Base interactions energy: -1356.046 where: short stacking energy: -603.735 Base-Backbone interact. energy: -1.228 local terms energy: -638.181312 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -128.330 flat angles C4'-P-C4' energy: -137.722 flat angles P-C4'-P energy: -87.428 tors. eta vs tors. theta energy: -173.746 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: 43 Temperature: 1.200000 Total energy: -1689.545261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.545261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.545261 (E_RNA) where: Base-Base interactions energy: -1154.695 where: short stacking energy: -479.458 Base-Backbone interact. energy: -0.850 local terms energy: -533.999470 where: bonds (distance) C4'-P energy: -101.521 bonds (distance) P-C4' energy: -111.735 flat angles C4'-P-C4' energy: -131.804 flat angles P-C4'-P energy: -67.756 tors. eta vs tors. theta energy: -121.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1415.496625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.496625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.496625 (E_RNA) where: Base-Base interactions energy: -929.457 where: short stacking energy: -415.357 Base-Backbone interact. energy: -2.784 local terms energy: -483.255009 where: bonds (distance) C4'-P energy: -104.897 bonds (distance) P-C4' energy: -97.473 flat angles C4'-P-C4' energy: -103.822 flat angles P-C4'-P energy: -88.058 tors. eta vs tors. theta energy: -89.004 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: 43 Temperature: 1.300000 Total energy: -1293.228338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.228338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.228338 (E_RNA) where: Base-Base interactions energy: -827.150 where: short stacking energy: -369.539 Base-Backbone interact. energy: -2.861 local terms energy: -463.217222 where: bonds (distance) C4'-P energy: -95.275 bonds (distance) P-C4' energy: -118.528 flat angles C4'-P-C4' energy: -118.403 flat angles P-C4'-P energy: -53.404 tors. eta vs tors. theta energy: -77.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -763.333171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.333171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.333171 (E_RNA) where: Base-Base interactions energy: -389.021 where: short stacking energy: -229.068 Base-Backbone interact. energy: 3.907 local terms energy: -378.218427 where: bonds (distance) C4'-P energy: -111.272 bonds (distance) P-C4' energy: -101.880 flat angles C4'-P-C4' energy: -100.714 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2451.227261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.227261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.227261 (E_RNA) where: Base-Base interactions energy: -1715.399 where: short stacking energy: -710.531 Base-Backbone interact. energy: -0.714 local terms energy: -735.114646 where: bonds (distance) C4'-P energy: -142.979 bonds (distance) P-C4' energy: -120.446 flat angles C4'-P-C4' energy: -151.630 flat angles P-C4'-P energy: -111.907 tors. eta vs tors. theta energy: -208.153 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: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2407.935561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.935561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.935561 (E_RNA) where: Base-Base interactions energy: -1668.191 where: short stacking energy: -729.376 Base-Backbone interact. energy: -1.233 local terms energy: -738.511227 where: bonds (distance) C4'-P energy: -116.834 bonds (distance) P-C4' energy: -137.821 flat angles C4'-P-C4' energy: -145.735 flat angles P-C4'-P energy: -108.537 tors. eta vs tors. theta energy: -229.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2338.368025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.368025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.368025 (E_RNA) where: Base-Base interactions energy: -1631.531 where: short stacking energy: -683.811 Base-Backbone interact. energy: -2.494 local terms energy: -704.343831 where: bonds (distance) C4'-P energy: -120.458 bonds (distance) P-C4' energy: -128.342 flat angles C4'-P-C4' energy: -140.220 flat angles P-C4'-P energy: -103.434 tors. eta vs tors. theta energy: -211.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2199.010029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.010029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.010029 (E_RNA) where: Base-Base interactions energy: -1516.361 where: short stacking energy: -644.983 Base-Backbone interact. energy: -2.964 local terms energy: -679.684932 where: bonds (distance) C4'-P energy: -124.581 bonds (distance) P-C4' energy: -122.204 flat angles C4'-P-C4' energy: -145.650 flat angles P-C4'-P energy: -96.263 tors. eta vs tors. theta energy: -190.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2193.320401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.320401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.320401 (E_RNA) where: Base-Base interactions energy: -1518.868 where: short stacking energy: -645.460 Base-Backbone interact. energy: -2.080 local terms energy: -672.372306 where: bonds (distance) C4'-P energy: -117.903 bonds (distance) P-C4' energy: -111.201 flat angles C4'-P-C4' energy: -151.690 flat angles P-C4'-P energy: -99.219 tors. eta vs tors. theta energy: -192.360 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: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2002.637204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.637204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.637204 (E_RNA) where: Base-Base interactions energy: -1376.399 where: short stacking energy: -597.598 Base-Backbone interact. energy: -0.200 local terms energy: -626.037858 where: bonds (distance) C4'-P energy: -101.726 bonds (distance) P-C4' energy: -119.296 flat angles C4'-P-C4' energy: -134.496 flat angles P-C4'-P energy: -87.802 tors. eta vs tors. theta energy: -182.718 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: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1636.963584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.963584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.963584 (E_RNA) where: Base-Base interactions energy: -1085.848 where: short stacking energy: -522.177 Base-Backbone interact. energy: -0.603 local terms energy: -550.512152 where: bonds (distance) C4'-P energy: -100.362 bonds (distance) P-C4' energy: -115.196 flat angles C4'-P-C4' energy: -122.222 flat angles P-C4'-P energy: -79.961 tors. eta vs tors. theta energy: -132.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1468.267328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.267328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.267328 (E_RNA) where: Base-Base interactions energy: -947.444 where: short stacking energy: -414.914 Base-Backbone interact. energy: -3.217 local terms energy: -517.606487 where: bonds (distance) C4'-P energy: -106.471 bonds (distance) P-C4' energy: -119.074 flat angles C4'-P-C4' energy: -124.917 flat angles P-C4'-P energy: -72.435 tors. eta vs tors. theta energy: -94.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1242.552641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.552641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.552641 (E_RNA) where: Base-Base interactions energy: -816.915 where: short stacking energy: -367.517 Base-Backbone interact. energy: -0.377 local terms energy: -425.260354 where: bonds (distance) C4'-P energy: -106.735 bonds (distance) P-C4' energy: -97.001 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -63.695 tors. eta vs tors. theta energy: -68.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -755.136122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.136122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.136122 (E_RNA) where: Base-Base interactions energy: -402.090 where: short stacking energy: -248.242 Base-Backbone interact. energy: -1.323 local terms energy: -351.723380 where: bonds (distance) C4'-P energy: -105.414 bonds (distance) P-C4' energy: -98.805 flat angles C4'-P-C4' energy: -85.079 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: -14.992 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: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2464.776421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.776421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.776421 (E_RNA) where: Base-Base interactions energy: -1741.303 where: short stacking energy: -715.337 Base-Backbone interact. energy: -1.952 local terms energy: -721.521477 where: bonds (distance) C4'-P energy: -129.417 bonds (distance) P-C4' energy: -130.511 flat angles C4'-P-C4' energy: -145.190 flat angles P-C4'-P energy: -99.095 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: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2388.193325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.193325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.193325 (E_RNA) where: Base-Base interactions energy: -1634.541 where: short stacking energy: -699.150 Base-Backbone interact. energy: -0.763 local terms energy: -752.889596 where: bonds (distance) C4'-P energy: -140.504 bonds (distance) P-C4' energy: -142.360 flat angles C4'-P-C4' energy: -155.604 flat angles P-C4'-P energy: -112.826 tors. eta vs tors. theta energy: -201.595 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: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2385.029103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.029103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.029103 (E_RNA) where: Base-Base interactions energy: -1661.904 where: short stacking energy: -731.195 Base-Backbone interact. energy: -3.690 local terms energy: -719.434367 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -132.990 flat angles C4'-P-C4' energy: -148.687 flat angles P-C4'-P energy: -91.092 tors. eta vs tors. theta energy: -230.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2218.951395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.951395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.951395 (E_RNA) where: Base-Base interactions energy: -1542.291 where: short stacking energy: -647.260 Base-Backbone interact. energy: -2.354 local terms energy: -674.306427 where: bonds (distance) C4'-P energy: -126.274 bonds (distance) P-C4' energy: -119.689 flat angles C4'-P-C4' energy: -149.015 flat angles P-C4'-P energy: -88.304 tors. eta vs tors. theta energy: -191.024 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: 45 Temperature: 1.100000 Total energy: -2155.586688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.586688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.586688 (E_RNA) where: Base-Base interactions energy: -1501.423 where: short stacking energy: -639.044 Base-Backbone interact. energy: -3.010 local terms energy: -651.154004 where: bonds (distance) C4'-P energy: -131.465 bonds (distance) P-C4' energy: -103.739 flat angles C4'-P-C4' energy: -147.101 flat angles P-C4'-P energy: -80.379 tors. eta vs tors. theta energy: -188.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1988.038664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.038664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.038664 (E_RNA) where: Base-Base interactions energy: -1370.701 where: short stacking energy: -603.968 Base-Backbone interact. energy: -1.406 local terms energy: -615.931944 where: bonds (distance) C4'-P energy: -107.898 bonds (distance) P-C4' energy: -124.030 flat angles C4'-P-C4' energy: -137.204 flat angles P-C4'-P energy: -77.065 tors. eta vs tors. theta energy: -169.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1684.817628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.817628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.817628 (E_RNA) where: Base-Base interactions energy: -1080.784 where: short stacking energy: -481.847 Base-Backbone interact. energy: -2.155 local terms energy: -601.878201 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -115.223 flat angles C4'-P-C4' energy: -136.999 flat angles P-C4'-P energy: -92.408 tors. eta vs tors. theta energy: -134.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1471.345957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.345957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.345957 (E_RNA) where: Base-Base interactions energy: -950.645 where: short stacking energy: -426.392 Base-Backbone interact. energy: -0.318 local terms energy: -520.382689 where: bonds (distance) C4'-P energy: -120.041 bonds (distance) P-C4' energy: -101.108 flat angles C4'-P-C4' energy: -123.577 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -94.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1383.875768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.875768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.875768 (E_RNA) where: Base-Base interactions energy: -874.834 where: short stacking energy: -395.370 Base-Backbone interact. energy: 3.667 local terms energy: -512.709089 where: bonds (distance) C4'-P energy: -92.869 bonds (distance) P-C4' energy: -134.674 flat angles C4'-P-C4' energy: -120.687 flat angles P-C4'-P energy: -70.590 tors. eta vs tors. theta energy: -93.890 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: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -757.605896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.605896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.605896 (E_RNA) where: Base-Base interactions energy: -382.985 where: short stacking energy: -221.855 Base-Backbone interact. energy: -0.699 local terms energy: -373.921122 where: bonds (distance) C4'-P energy: -118.440 bonds (distance) P-C4' energy: -96.591 flat angles C4'-P-C4' energy: -107.143 flat angles P-C4'-P energy: -51.108 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2442.205962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.205962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.205962 (E_RNA) where: Base-Base interactions energy: -1712.954 where: short stacking energy: -712.045 Base-Backbone interact. energy: 2.140 local terms energy: -731.391656 where: bonds (distance) C4'-P energy: -131.130 bonds (distance) P-C4' energy: -133.689 flat angles C4'-P-C4' energy: -151.528 flat angles P-C4'-P energy: -98.632 tors. eta vs tors. theta energy: -216.413 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: 46 Temperature: 0.950000 Total energy: -2382.969881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.969881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.969881 (E_RNA) where: Base-Base interactions energy: -1651.527 where: short stacking energy: -714.070 Base-Backbone interact. energy: -3.178 local terms energy: -728.264355 where: bonds (distance) C4'-P energy: -124.656 bonds (distance) P-C4' energy: -128.047 flat angles C4'-P-C4' energy: -154.201 flat angles P-C4'-P energy: -100.008 tors. eta vs tors. theta energy: -221.352 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: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2402.707894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.707894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.707894 (E_RNA) where: Base-Base interactions energy: -1675.090 where: short stacking energy: -731.841 Base-Backbone interact. energy: -2.567 local terms energy: -725.051054 where: bonds (distance) C4'-P energy: -112.553 bonds (distance) P-C4' energy: -126.165 flat angles C4'-P-C4' energy: -156.629 flat angles P-C4'-P energy: -109.248 tors. eta vs tors. theta energy: -220.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2213.628384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.628384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.628384 (E_RNA) where: Base-Base interactions energy: -1562.747 where: short stacking energy: -657.431 Base-Backbone interact. energy: -2.828 local terms energy: -648.052782 where: bonds (distance) C4'-P energy: -118.305 bonds (distance) P-C4' energy: -96.660 flat angles C4'-P-C4' energy: -137.013 flat angles P-C4'-P energy: -105.266 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: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2115.596116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.596116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.596116 (E_RNA) where: Base-Base interactions energy: -1471.132 where: short stacking energy: -644.409 Base-Backbone interact. energy: 1.322 local terms energy: -645.786552 where: bonds (distance) C4'-P energy: -128.453 bonds (distance) P-C4' energy: -99.907 flat angles C4'-P-C4' energy: -142.789 flat angles P-C4'-P energy: -89.244 tors. eta vs tors. theta energy: -185.393 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: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1986.942625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.942625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.942625 (E_RNA) where: Base-Base interactions energy: -1362.565 where: short stacking energy: -574.319 Base-Backbone interact. energy: -0.296 local terms energy: -624.081608 where: bonds (distance) C4'-P energy: -97.008 bonds (distance) P-C4' energy: -121.257 flat angles C4'-P-C4' energy: -143.772 flat angles P-C4'-P energy: -90.615 tors. eta vs tors. theta energy: -171.429 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: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1696.801965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.801965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.801965 (E_RNA) where: Base-Base interactions energy: -1105.799 where: short stacking energy: -504.326 Base-Backbone interact. energy: -1.217 local terms energy: -589.786408 where: bonds (distance) C4'-P energy: -123.116 bonds (distance) P-C4' energy: -128.273 flat angles C4'-P-C4' energy: -119.120 flat angles P-C4'-P energy: -82.048 tors. eta vs tors. theta energy: -137.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1387.522046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.522046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.522046 (E_RNA) where: Base-Base interactions energy: -899.210 where: short stacking energy: -385.452 Base-Backbone interact. energy: -3.449 local terms energy: -484.863260 where: bonds (distance) C4'-P energy: -92.748 bonds (distance) P-C4' energy: -119.365 flat angles C4'-P-C4' energy: -107.234 flat angles P-C4'-P energy: -75.286 tors. eta vs tors. theta energy: -90.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1391.692399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.692399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.692399 (E_RNA) where: Base-Base interactions energy: -886.398 where: short stacking energy: -372.455 Base-Backbone interact. energy: -1.767 local terms energy: -503.527506 where: bonds (distance) C4'-P energy: -93.262 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -128.939 flat angles P-C4'-P energy: -87.188 tors. eta vs tors. theta energy: -73.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -727.705209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.705209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.705209 (E_RNA) where: Base-Base interactions energy: -389.171 where: short stacking energy: -225.692 Base-Backbone interact. energy: -1.939 local terms energy: -336.595291 where: bonds (distance) C4'-P energy: -92.439 bonds (distance) P-C4' energy: -104.918 flat angles C4'-P-C4' energy: -91.437 flat angles P-C4'-P energy: -56.382 tors. eta vs tors. theta energy: 8.580 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: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2442.595609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.595609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.595609 (E_RNA) where: Base-Base interactions energy: -1708.172 where: short stacking energy: -700.269 Base-Backbone interact. energy: 1.586 local terms energy: -736.009638 where: bonds (distance) C4'-P energy: -133.783 bonds (distance) P-C4' energy: -131.385 flat angles C4'-P-C4' energy: -159.139 flat angles P-C4'-P energy: -95.280 tors. eta vs tors. theta energy: -216.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2425.780843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.780843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.780843 (E_RNA) where: Base-Base interactions energy: -1669.584 where: short stacking energy: -727.916 Base-Backbone interact. energy: -1.145 local terms energy: -755.052180 where: bonds (distance) C4'-P energy: -125.380 bonds (distance) P-C4' energy: -142.682 flat angles C4'-P-C4' energy: -154.382 flat angles P-C4'-P energy: -103.303 tors. eta vs tors. theta energy: -229.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2345.154783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.154783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.154783 (E_RNA) where: Base-Base interactions energy: -1640.695 where: short stacking energy: -694.578 Base-Backbone interact. energy: -1.100 local terms energy: -703.359489 where: bonds (distance) C4'-P energy: -119.459 bonds (distance) P-C4' energy: -120.820 flat angles C4'-P-C4' energy: -155.047 flat angles P-C4'-P energy: -97.486 tors. eta vs tors. theta energy: -210.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2204.818530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.818530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.818530 (E_RNA) where: Base-Base interactions energy: -1531.872 where: short stacking energy: -678.451 Base-Backbone interact. energy: -0.773 local terms energy: -672.173378 where: bonds (distance) C4'-P energy: -123.169 bonds (distance) P-C4' energy: -118.631 flat angles C4'-P-C4' energy: -136.190 flat angles P-C4'-P energy: -94.750 tors. eta vs tors. theta energy: -199.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2053.326577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.326577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.326577 (E_RNA) where: Base-Base interactions energy: -1438.491 where: short stacking energy: -605.417 Base-Backbone interact. energy: 0.137 local terms energy: -614.973151 where: bonds (distance) C4'-P energy: -114.292 bonds (distance) P-C4' energy: -123.369 flat angles C4'-P-C4' energy: -126.871 flat angles P-C4'-P energy: -80.005 tors. eta vs tors. theta energy: -170.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2055.239569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.239569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.239569 (E_RNA) where: Base-Base interactions energy: -1419.869 where: short stacking energy: -629.613 Base-Backbone interact. energy: 0.594 local terms energy: -635.964786 where: bonds (distance) C4'-P energy: -117.945 bonds (distance) P-C4' energy: -113.353 flat angles C4'-P-C4' energy: -130.137 flat angles P-C4'-P energy: -87.648 tors. eta vs tors. theta energy: -186.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1692.007905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.007905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.007905 (E_RNA) where: Base-Base interactions energy: -1164.032 where: short stacking energy: -493.293 Base-Backbone interact. energy: -2.510 local terms energy: -525.466021 where: bonds (distance) C4'-P energy: -104.883 bonds (distance) P-C4' energy: -104.831 flat angles C4'-P-C4' energy: -130.009 flat angles P-C4'-P energy: -72.139 tors. eta vs tors. theta energy: -113.605 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: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1410.806341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.806341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.806341 (E_RNA) where: Base-Base interactions energy: -889.204 where: short stacking energy: -368.230 Base-Backbone interact. energy: -1.279 local terms energy: -520.323564 where: bonds (distance) C4'-P energy: -122.318 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -117.395 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: -80.096 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: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1395.060857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.060857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.060857 (E_RNA) where: Base-Base interactions energy: -914.892 where: short stacking energy: -407.177 Base-Backbone interact. energy: 0.548 local terms energy: -480.716899 where: bonds (distance) C4'-P energy: -93.801 bonds (distance) P-C4' energy: -118.381 flat angles C4'-P-C4' energy: -114.370 flat angles P-C4'-P energy: -77.135 tors. eta vs tors. theta energy: -77.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -744.521102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.521102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.521102 (E_RNA) where: Base-Base interactions energy: -407.195 where: short stacking energy: -222.241 Base-Backbone interact. energy: -0.484 local terms energy: -336.841490 where: bonds (distance) C4'-P energy: -83.534 bonds (distance) P-C4' energy: -112.701 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -42.874 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2499.843203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.843203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.843203 (E_RNA) where: Base-Base interactions energy: -1744.875 where: short stacking energy: -774.355 Base-Backbone interact. energy: -3.616 local terms energy: -751.352235 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -129.355 flat angles C4'-P-C4' energy: -159.022 flat angles P-C4'-P energy: -97.280 tors. eta vs tors. theta energy: -236.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2407.474197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.474197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.474197 (E_RNA) where: Base-Base interactions energy: -1695.761 where: short stacking energy: -683.654 Base-Backbone interact. energy: -1.944 local terms energy: -709.769063 where: bonds (distance) C4'-P energy: -129.331 bonds (distance) P-C4' energy: -134.837 flat angles C4'-P-C4' energy: -144.230 flat angles P-C4'-P energy: -94.520 tors. eta vs tors. theta energy: -206.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2369.776371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.776371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.776371 (E_RNA) where: Base-Base interactions energy: -1668.390 where: short stacking energy: -710.764 Base-Backbone interact. energy: -3.658 local terms energy: -697.728736 where: bonds (distance) C4'-P energy: -119.237 bonds (distance) P-C4' energy: -129.091 flat angles C4'-P-C4' energy: -148.788 flat angles P-C4'-P energy: -93.953 tors. eta vs tors. theta energy: -206.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2196.555454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.555454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.555454 (E_RNA) where: Base-Base interactions energy: -1522.005 where: short stacking energy: -656.259 Base-Backbone interact. energy: -2.189 local terms energy: -672.360560 where: bonds (distance) C4'-P energy: -113.967 bonds (distance) P-C4' energy: -124.472 flat angles C4'-P-C4' energy: -145.990 flat angles P-C4'-P energy: -93.335 tors. eta vs tors. theta energy: -194.596 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: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2111.231561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.231561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.231561 (E_RNA) where: Base-Base interactions energy: -1447.959 where: short stacking energy: -635.253 Base-Backbone interact. energy: 0.255 local terms energy: -663.527350 where: bonds (distance) C4'-P energy: -108.812 bonds (distance) P-C4' energy: -127.569 flat angles C4'-P-C4' energy: -139.550 flat angles P-C4'-P energy: -98.582 tors. eta vs tors. theta energy: -189.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2009.238259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.238259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.238259 (E_RNA) where: Base-Base interactions energy: -1399.616 where: short stacking energy: -597.925 Base-Backbone interact. energy: 0.750 local terms energy: -610.372270 where: bonds (distance) C4'-P energy: -113.841 bonds (distance) P-C4' energy: -120.998 flat angles C4'-P-C4' energy: -133.489 flat angles P-C4'-P energy: -65.802 tors. eta vs tors. theta energy: -176.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1695.721767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.721767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.721767 (E_RNA) where: Base-Base interactions energy: -1153.872 where: short stacking energy: -503.714 Base-Backbone interact. energy: 0.339 local terms energy: -542.188832 where: bonds (distance) C4'-P energy: -106.859 bonds (distance) P-C4' energy: -121.192 flat angles C4'-P-C4' energy: -106.869 flat angles P-C4'-P energy: -83.547 tors. eta vs tors. theta energy: -123.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1469.082964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.082964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.082964 (E_RNA) where: Base-Base interactions energy: -986.694 where: short stacking energy: -421.282 Base-Backbone interact. energy: 0.708 local terms energy: -483.097069 where: bonds (distance) C4'-P energy: -108.541 bonds (distance) P-C4' energy: -114.526 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -63.105 tors. eta vs tors. theta energy: -97.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1383.348528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.348528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.348528 (E_RNA) where: Base-Base interactions energy: -892.808 where: short stacking energy: -393.240 Base-Backbone interact. energy: -1.279 local terms energy: -489.261632 where: bonds (distance) C4'-P energy: -94.362 bonds (distance) P-C4' energy: -109.645 flat angles C4'-P-C4' energy: -117.236 flat angles P-C4'-P energy: -74.039 tors. eta vs tors. theta energy: -93.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -780.187337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.187337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.187337 (E_RNA) where: Base-Base interactions energy: -399.286 where: short stacking energy: -212.570 Base-Backbone interact. energy: -1.948 local terms energy: -378.952418 where: bonds (distance) C4'-P energy: -104.064 bonds (distance) P-C4' energy: -119.635 flat angles C4'-P-C4' energy: -94.498 flat angles P-C4'-P energy: -62.040 tors. eta vs tors. theta energy: 1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2499.027199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.027199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.027199 (E_RNA) where: Base-Base interactions energy: -1729.354 where: short stacking energy: -747.954 Base-Backbone interact. energy: -1.443 local terms energy: -768.230034 where: bonds (distance) C4'-P energy: -138.355 bonds (distance) P-C4' energy: -146.429 flat angles C4'-P-C4' energy: -149.701 flat angles P-C4'-P energy: -105.311 tors. eta vs tors. theta energy: -228.435 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: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2396.966376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.966376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.966376 (E_RNA) where: Base-Base interactions energy: -1680.850 where: short stacking energy: -695.711 Base-Backbone interact. energy: 1.261 local terms energy: -717.377778 where: bonds (distance) C4'-P energy: -128.481 bonds (distance) P-C4' energy: -136.245 flat angles C4'-P-C4' energy: -152.013 flat angles P-C4'-P energy: -90.633 tors. eta vs tors. theta energy: -210.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2379.166677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.166677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.166677 (E_RNA) where: Base-Base interactions energy: -1679.364 where: short stacking energy: -705.447 Base-Backbone interact. energy: 2.885 local terms energy: -702.687267 where: bonds (distance) C4'-P energy: -131.059 bonds (distance) P-C4' energy: -125.348 flat angles C4'-P-C4' energy: -139.852 flat angles P-C4'-P energy: -97.455 tors. eta vs tors. theta energy: -208.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2208.257212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.257212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.257212 (E_RNA) where: Base-Base interactions energy: -1546.633 where: short stacking energy: -662.500 Base-Backbone interact. energy: -1.475 local terms energy: -660.149477 where: bonds (distance) C4'-P energy: -122.199 bonds (distance) P-C4' energy: -121.024 flat angles C4'-P-C4' energy: -132.281 flat angles P-C4'-P energy: -92.019 tors. eta vs tors. theta energy: -192.626 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: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2065.851145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.851145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.851145 (E_RNA) where: Base-Base interactions energy: -1410.094 where: short stacking energy: -612.076 Base-Backbone interact. energy: -1.227 local terms energy: -654.529915 where: bonds (distance) C4'-P energy: -115.044 bonds (distance) P-C4' energy: -123.893 flat angles C4'-P-C4' energy: -142.418 flat angles P-C4'-P energy: -86.208 tors. eta vs tors. theta energy: -186.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2052.225240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.225240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.225240 (E_RNA) where: Base-Base interactions energy: -1407.589 where: short stacking energy: -597.483 Base-Backbone interact. energy: 1.154 local terms energy: -645.790656 where: bonds (distance) C4'-P energy: -111.657 bonds (distance) P-C4' energy: -117.362 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -89.697 tors. eta vs tors. theta energy: -179.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1755.622322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.622322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.622322 (E_RNA) where: Base-Base interactions energy: -1185.550 where: short stacking energy: -482.551 Base-Backbone interact. energy: -1.150 local terms energy: -568.922098 where: bonds (distance) C4'-P energy: -107.682 bonds (distance) P-C4' energy: -111.726 flat angles C4'-P-C4' energy: -118.733 flat angles P-C4'-P energy: -91.644 tors. eta vs tors. theta energy: -139.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1474.871187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.871187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.871187 (E_RNA) where: Base-Base interactions energy: -942.496 where: short stacking energy: -408.465 Base-Backbone interact. energy: -3.323 local terms energy: -529.051742 where: bonds (distance) C4'-P energy: -111.289 bonds (distance) P-C4' energy: -100.896 flat angles C4'-P-C4' energy: -126.148 flat angles P-C4'-P energy: -82.581 tors. eta vs tors. theta energy: -108.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1367.964783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.964783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.964783 (E_RNA) where: Base-Base interactions energy: -899.732 where: short stacking energy: -412.575 Base-Backbone interact. energy: 5.105 local terms energy: -473.337774 where: bonds (distance) C4'-P energy: -92.222 bonds (distance) P-C4' energy: -115.222 flat angles C4'-P-C4' energy: -115.162 flat angles P-C4'-P energy: -67.461 tors. eta vs tors. theta energy: -83.270 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: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -784.393590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.393590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.393590 (E_RNA) where: Base-Base interactions energy: -427.414 where: short stacking energy: -218.314 Base-Backbone interact. energy: 1.577 local terms energy: -358.556529 where: bonds (distance) C4'-P energy: -100.699 bonds (distance) P-C4' energy: -112.857 flat angles C4'-P-C4' energy: -92.145 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -4.620 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: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2487.737580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.737580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.737580 (E_RNA) where: Base-Base interactions energy: -1726.320 where: short stacking energy: -766.876 Base-Backbone interact. energy: -1.779 local terms energy: -759.637978 where: bonds (distance) C4'-P energy: -127.975 bonds (distance) P-C4' energy: -136.983 flat angles C4'-P-C4' energy: -149.999 flat angles P-C4'-P energy: -114.279 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: 2, replica: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2406.052466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.052466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.052466 (E_RNA) where: Base-Base interactions energy: -1707.824 where: short stacking energy: -697.673 Base-Backbone interact. energy: 1.432 local terms energy: -699.659856 where: bonds (distance) C4'-P energy: -132.678 bonds (distance) P-C4' energy: -127.214 flat angles C4'-P-C4' energy: -140.294 flat angles P-C4'-P energy: -92.389 tors. eta vs tors. theta energy: -207.085 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: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2377.577673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.577673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.577673 (E_RNA) where: Base-Base interactions energy: -1658.529 where: short stacking energy: -714.076 Base-Backbone interact. energy: -0.859 local terms energy: -718.189035 where: bonds (distance) C4'-P energy: -119.477 bonds (distance) P-C4' energy: -114.274 flat angles C4'-P-C4' energy: -143.339 flat angles P-C4'-P energy: -117.702 tors. eta vs tors. theta energy: -223.398 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: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2255.028088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.028088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.028088 (E_RNA) where: Base-Base interactions energy: -1568.891 where: short stacking energy: -654.385 Base-Backbone interact. energy: -0.860 local terms energy: -685.277156 where: bonds (distance) C4'-P energy: -136.520 bonds (distance) P-C4' energy: -128.071 flat angles C4'-P-C4' energy: -134.305 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -195.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2063.936232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.936232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.936232 (E_RNA) where: Base-Base interactions energy: -1432.598 where: short stacking energy: -614.851 Base-Backbone interact. energy: -0.770 local terms energy: -630.568291 where: bonds (distance) C4'-P energy: -111.867 bonds (distance) P-C4' energy: -105.164 flat angles C4'-P-C4' energy: -140.672 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -182.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2011.144970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.144970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.144970 (E_RNA) where: Base-Base interactions energy: -1385.816 where: short stacking energy: -617.537 Base-Backbone interact. energy: -1.872 local terms energy: -623.456924 where: bonds (distance) C4'-P energy: -110.248 bonds (distance) P-C4' energy: -129.131 flat angles C4'-P-C4' energy: -129.938 flat angles P-C4'-P energy: -70.665 tors. eta vs tors. theta energy: -183.475 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: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1787.505610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.505610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.505610 (E_RNA) where: Base-Base interactions energy: -1220.226 where: short stacking energy: -525.197 Base-Backbone interact. energy: -1.615 local terms energy: -565.664186 where: bonds (distance) C4'-P energy: -116.564 bonds (distance) P-C4' energy: -110.332 flat angles C4'-P-C4' energy: -124.699 flat angles P-C4'-P energy: -82.736 tors. eta vs tors. theta energy: -131.334 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: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1396.139637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.139637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.139637 (E_RNA) where: Base-Base interactions energy: -909.213 where: short stacking energy: -421.417 Base-Backbone interact. energy: -2.528 local terms energy: -484.398524 where: bonds (distance) C4'-P energy: -107.569 bonds (distance) P-C4' energy: -112.686 flat angles C4'-P-C4' energy: -109.292 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -86.605 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: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1330.953769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.953769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.953769 (E_RNA) where: Base-Base interactions energy: -881.248 where: short stacking energy: -376.427 Base-Backbone interact. energy: -0.213 local terms energy: -449.493547 where: bonds (distance) C4'-P energy: -100.045 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -111.767 flat angles P-C4'-P energy: -56.491 tors. eta vs tors. theta energy: -65.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -764.974932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.974932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.974932 (E_RNA) where: Base-Base interactions energy: -396.732 where: short stacking energy: -214.761 Base-Backbone interact. energy: 3.276 local terms energy: -371.518501 where: bonds (distance) C4'-P energy: -92.111 bonds (distance) P-C4' energy: -117.734 flat angles C4'-P-C4' energy: -96.307 flat angles P-C4'-P energy: -63.540 tors. eta vs tors. theta energy: -1.826 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: 6 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2495.998321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.998321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.998321 (E_RNA) where: Base-Base interactions energy: -1738.028 where: short stacking energy: -753.927 Base-Backbone interact. energy: -1.168 local terms energy: -756.802301 where: bonds (distance) C4'-P energy: -138.741 bonds (distance) P-C4' energy: -139.003 flat angles C4'-P-C4' energy: -152.248 flat angles P-C4'-P energy: -102.199 tors. eta vs tors. theta energy: -224.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2413.727041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.727041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.727041 (E_RNA) where: Base-Base interactions energy: -1694.713 where: short stacking energy: -715.170 Base-Backbone interact. energy: -2.864 local terms energy: -716.150259 where: bonds (distance) C4'-P energy: -129.319 bonds (distance) P-C4' energy: -131.432 flat angles C4'-P-C4' energy: -146.147 flat angles P-C4'-P energy: -93.021 tors. eta vs tors. theta energy: -216.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2359.344735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.344735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.344735 (E_RNA) where: Base-Base interactions energy: -1670.314 where: short stacking energy: -691.619 Base-Backbone interact. energy: 3.444 local terms energy: -692.474952 where: bonds (distance) C4'-P energy: -106.490 bonds (distance) P-C4' energy: -135.555 flat angles C4'-P-C4' energy: -136.101 flat angles P-C4'-P energy: -108.290 tors. eta vs tors. theta energy: -206.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2215.946108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.946108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.946108 (E_RNA) where: Base-Base interactions energy: -1546.301 where: short stacking energy: -669.258 Base-Backbone interact. energy: -0.372 local terms energy: -669.273067 where: bonds (distance) C4'-P energy: -125.648 bonds (distance) P-C4' energy: -125.136 flat angles C4'-P-C4' energy: -140.659 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -188.272 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: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2078.908321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.908321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.908321 (E_RNA) where: Base-Base interactions energy: -1432.165 where: short stacking energy: -608.565 Base-Backbone interact. energy: -1.337 local terms energy: -645.405951 where: bonds (distance) C4'-P energy: -114.950 bonds (distance) P-C4' energy: -109.486 flat angles C4'-P-C4' energy: -149.247 flat angles P-C4'-P energy: -90.330 tors. eta vs tors. theta energy: -181.393 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: 6, replica: 1 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2045.472498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.472498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.472498 (E_RNA) where: Base-Base interactions energy: -1435.460 where: short stacking energy: -597.739 Base-Backbone interact. energy: -4.221 local terms energy: -605.791093 where: bonds (distance) C4'-P energy: -100.953 bonds (distance) P-C4' energy: -115.319 flat angles C4'-P-C4' energy: -137.652 flat angles P-C4'-P energy: -77.100 tors. eta vs tors. theta energy: -174.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1752.658979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.658979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.658979 (E_RNA) where: Base-Base interactions energy: -1174.931 where: short stacking energy: -513.386 Base-Backbone interact. energy: -2.717 local terms energy: -575.011292 where: bonds (distance) C4'-P energy: -115.911 bonds (distance) P-C4' energy: -123.658 flat angles C4'-P-C4' energy: -116.491 flat angles P-C4'-P energy: -80.191 tors. eta vs tors. theta energy: -138.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1392.215248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.215248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.215248 (E_RNA) where: Base-Base interactions energy: -919.335 where: short stacking energy: -382.055 Base-Backbone interact. energy: -1.186 local terms energy: -471.694418 where: bonds (distance) C4'-P energy: -91.527 bonds (distance) P-C4' energy: -111.770 flat angles C4'-P-C4' energy: -119.365 flat angles P-C4'-P energy: -70.766 tors. eta vs tors. theta energy: -78.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1369.955280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.955280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.955280 (E_RNA) where: Base-Base interactions energy: -858.704 where: short stacking energy: -397.920 Base-Backbone interact. energy: -3.059 local terms energy: -508.192262 where: bonds (distance) C4'-P energy: -124.604 bonds (distance) P-C4' energy: -107.823 flat angles C4'-P-C4' energy: -116.710 flat angles P-C4'-P energy: -64.438 tors. eta vs tors. theta energy: -94.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -732.717893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.717893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.717893 (E_RNA) where: Base-Base interactions energy: -352.211 where: short stacking energy: -190.168 Base-Backbone interact. energy: -2.695 local terms energy: -377.811385 where: bonds (distance) C4'-P energy: -114.187 bonds (distance) P-C4' energy: -111.882 flat angles C4'-P-C4' energy: -95.377 flat angles P-C4'-P energy: -65.548 tors. eta vs tors. theta energy: 9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2484.503551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.503551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.503551 (E_RNA) where: Base-Base interactions energy: -1727.835 where: short stacking energy: -734.531 Base-Backbone interact. energy: -2.535 local terms energy: -754.132958 where: bonds (distance) C4'-P energy: -141.253 bonds (distance) P-C4' energy: -136.058 flat angles C4'-P-C4' energy: -154.152 flat angles P-C4'-P energy: -93.227 tors. eta vs tors. theta energy: -229.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2428.066505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.066505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.066505 (E_RNA) where: Base-Base interactions energy: -1694.314 where: short stacking energy: -720.395 Base-Backbone interact. energy: -1.185 local terms energy: -732.567506 where: bonds (distance) C4'-P energy: -122.723 bonds (distance) P-C4' energy: -139.625 flat angles C4'-P-C4' energy: -145.849 flat angles P-C4'-P energy: -110.163 tors. eta vs tors. theta energy: -214.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2361.186278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.186278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.186278 (E_RNA) where: Base-Base interactions energy: -1654.236 where: short stacking energy: -684.907 Base-Backbone interact. energy: -1.094 local terms energy: -705.856411 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -124.908 flat angles C4'-P-C4' energy: -144.559 flat angles P-C4'-P energy: -92.724 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: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2203.855144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.855144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.855144 (E_RNA) where: Base-Base interactions energy: -1553.917 where: short stacking energy: -662.663 Base-Backbone interact. energy: -2.499 local terms energy: -647.439341 where: bonds (distance) C4'-P energy: -113.223 bonds (distance) P-C4' energy: -123.367 flat angles C4'-P-C4' energy: -141.515 flat angles P-C4'-P energy: -80.313 tors. eta vs tors. theta energy: -189.021 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: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2107.583213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.583213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.583213 (E_RNA) where: Base-Base interactions energy: -1450.635 where: short stacking energy: -652.822 Base-Backbone interact. energy: 1.748 local terms energy: -658.696340 where: bonds (distance) C4'-P energy: -111.356 bonds (distance) P-C4' energy: -117.968 flat angles C4'-P-C4' energy: -143.423 flat angles P-C4'-P energy: -94.161 tors. eta vs tors. theta energy: -191.787 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: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2032.005495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.005495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.005495 (E_RNA) where: Base-Base interactions energy: -1430.443 where: short stacking energy: -596.372 Base-Backbone interact. energy: 1.291 local terms energy: -602.853593 where: bonds (distance) C4'-P energy: -109.564 bonds (distance) P-C4' energy: -116.934 flat angles C4'-P-C4' energy: -144.489 flat angles P-C4'-P energy: -70.789 tors. eta vs tors. theta energy: -161.078 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: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1818.002515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.002515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.002515 (E_RNA) where: Base-Base interactions energy: -1229.956 where: short stacking energy: -518.607 Base-Backbone interact. energy: -3.603 local terms energy: -584.443708 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -90.548 flat angles C4'-P-C4' energy: -139.057 flat angles P-C4'-P energy: -88.559 tors. eta vs tors. theta energy: -143.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1390.083429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.083429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.083429 (E_RNA) where: Base-Base interactions energy: -905.100 where: short stacking energy: -383.303 Base-Backbone interact. energy: 1.860 local terms energy: -486.842676 where: bonds (distance) C4'-P energy: -109.447 bonds (distance) P-C4' energy: -118.059 flat angles C4'-P-C4' energy: -113.225 flat angles P-C4'-P energy: -69.149 tors. eta vs tors. theta energy: -76.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1343.395530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.395530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.395530 (E_RNA) where: Base-Base interactions energy: -868.585 where: short stacking energy: -394.213 Base-Backbone interact. energy: -0.733 local terms energy: -474.077453 where: bonds (distance) C4'-P energy: -105.641 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -111.424 flat angles P-C4'-P energy: -60.210 tors. eta vs tors. theta energy: -87.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -769.763957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.763957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.763957 (E_RNA) where: Base-Base interactions energy: -402.586 where: short stacking energy: -242.054 Base-Backbone interact. energy: 0.935 local terms energy: -368.112145 where: bonds (distance) C4'-P energy: -89.305 bonds (distance) P-C4' energy: -108.796 flat angles C4'-P-C4' energy: -99.651 flat angles P-C4'-P energy: -58.646 tors. eta vs tors. theta energy: -11.715 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: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2489.629887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.629887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.629887 (E_RNA) where: Base-Base interactions energy: -1733.030 where: short stacking energy: -755.188 Base-Backbone interact. energy: -0.946 local terms energy: -755.654074 where: bonds (distance) C4'-P energy: -143.776 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -152.066 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -227.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2401.721720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.721720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.721720 (E_RNA) where: Base-Base interactions energy: -1680.447 where: short stacking energy: -696.556 Base-Backbone interact. energy: -2.018 local terms energy: -719.255897 where: bonds (distance) C4'-P energy: -118.486 bonds (distance) P-C4' energy: -137.040 flat angles C4'-P-C4' energy: -150.774 flat angles P-C4'-P energy: -96.159 tors. eta vs tors. theta energy: -216.798 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: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2399.305770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.305770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.305770 (E_RNA) where: Base-Base interactions energy: -1711.866 where: short stacking energy: -702.389 Base-Backbone interact. energy: -2.139 local terms energy: -685.301490 where: bonds (distance) C4'-P energy: -111.883 bonds (distance) P-C4' energy: -132.032 flat angles C4'-P-C4' energy: -128.004 flat angles P-C4'-P energy: -104.880 tors. eta vs tors. theta energy: -208.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2195.257942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.257942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.257942 (E_RNA) where: Base-Base interactions energy: -1516.107 where: short stacking energy: -652.593 Base-Backbone interact. energy: -2.286 local terms energy: -676.864680 where: bonds (distance) C4'-P energy: -114.179 bonds (distance) P-C4' energy: -121.521 flat angles C4'-P-C4' energy: -146.696 flat angles P-C4'-P energy: -102.201 tors. eta vs tors. theta energy: -192.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2112.305288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.305288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.305288 (E_RNA) where: Base-Base interactions energy: -1461.141 where: short stacking energy: -654.114 Base-Backbone interact. energy: -3.137 local terms energy: -648.027105 where: bonds (distance) C4'-P energy: -125.719 bonds (distance) P-C4' energy: -108.497 flat angles C4'-P-C4' energy: -139.411 flat angles P-C4'-P energy: -84.921 tors. eta vs tors. theta energy: -189.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1986.596673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.596673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.596673 (E_RNA) where: Base-Base interactions energy: -1401.894 where: short stacking energy: -570.149 Base-Backbone interact. energy: -0.361 local terms energy: -584.340907 where: bonds (distance) C4'-P energy: -110.489 bonds (distance) P-C4' energy: -108.801 flat angles C4'-P-C4' energy: -129.218 flat angles P-C4'-P energy: -76.928 tors. eta vs tors. theta energy: -158.905 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: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1859.410559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.410559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.410559 (E_RNA) where: Base-Base interactions energy: -1254.549 where: short stacking energy: -538.578 Base-Backbone interact. energy: 0.594 local terms energy: -605.455772 where: bonds (distance) C4'-P energy: -103.938 bonds (distance) P-C4' energy: -117.935 flat angles C4'-P-C4' energy: -136.597 flat angles P-C4'-P energy: -94.696 tors. eta vs tors. theta energy: -152.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1410.517834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.517834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.517834 (E_RNA) where: Base-Base interactions energy: -915.015 where: short stacking energy: -406.364 Base-Backbone interact. energy: -2.918 local terms energy: -492.584842 where: bonds (distance) C4'-P energy: -95.145 bonds (distance) P-C4' energy: -112.834 flat angles C4'-P-C4' energy: -105.005 flat angles P-C4'-P energy: -79.660 tors. eta vs tors. theta energy: -99.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1284.355233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.355233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.355233 (E_RNA) where: Base-Base interactions energy: -824.411 where: short stacking energy: -348.718 Base-Backbone interact. energy: 3.847 local terms energy: -463.791155 where: bonds (distance) C4'-P energy: -109.343 bonds (distance) P-C4' energy: -120.707 flat angles C4'-P-C4' energy: -101.767 flat angles P-C4'-P energy: -65.215 tors. eta vs tors. theta energy: -66.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -791.802350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.802350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.802350 (E_RNA) where: Base-Base interactions energy: -385.587 where: short stacking energy: -208.004 Base-Backbone interact. energy: 0.353 local terms energy: -406.568801 where: bonds (distance) C4'-P energy: -96.105 bonds (distance) P-C4' energy: -121.291 flat angles C4'-P-C4' energy: -114.018 flat angles P-C4'-P energy: -59.120 tors. eta vs tors. theta energy: -16.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2478.219724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.219724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.219724 (E_RNA) where: Base-Base interactions energy: -1721.877 where: short stacking energy: -716.853 Base-Backbone interact. energy: -3.869 local terms energy: -752.474040 where: bonds (distance) C4'-P energy: -138.827 bonds (distance) P-C4' energy: -136.936 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -107.544 tors. eta vs tors. theta energy: -221.009 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: 54 Temperature: 0.950000 Total energy: -2426.478065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.478065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.478065 (E_RNA) where: Base-Base interactions energy: -1711.964 where: short stacking energy: -695.232 Base-Backbone interact. energy: -2.895 local terms energy: -711.620001 where: bonds (distance) C4'-P energy: -131.452 bonds (distance) P-C4' energy: -129.473 flat angles C4'-P-C4' energy: -164.142 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -204.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2379.009837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.009837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.009837 (E_RNA) where: Base-Base interactions energy: -1672.448 where: short stacking energy: -685.632 Base-Backbone interact. energy: -3.165 local terms energy: -703.397007 where: bonds (distance) C4'-P energy: -120.884 bonds (distance) P-C4' energy: -130.536 flat angles C4'-P-C4' energy: -137.574 flat angles P-C4'-P energy: -102.995 tors. eta vs tors. theta energy: -211.408 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: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2256.752504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.752504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.752504 (E_RNA) where: Base-Base interactions energy: -1584.990 where: short stacking energy: -653.442 Base-Backbone interact. energy: -4.277 local terms energy: -667.485822 where: bonds (distance) C4'-P energy: -110.306 bonds (distance) P-C4' energy: -105.883 flat angles C4'-P-C4' energy: -143.024 flat angles P-C4'-P energy: -101.434 tors. eta vs tors. theta energy: -206.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2106.336200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.336200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.336200 (E_RNA) where: Base-Base interactions energy: -1443.866 where: short stacking energy: -604.784 Base-Backbone interact. energy: -0.915 local terms energy: -661.555612 where: bonds (distance) C4'-P energy: -115.963 bonds (distance) P-C4' energy: -115.387 flat angles C4'-P-C4' energy: -155.123 flat angles P-C4'-P energy: -93.474 tors. eta vs tors. theta energy: -181.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1963.247475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.247475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.247475 (E_RNA) where: Base-Base interactions energy: -1358.986 where: short stacking energy: -555.753 Base-Backbone interact. energy: -0.462 local terms energy: -603.799073 where: bonds (distance) C4'-P energy: -131.148 bonds (distance) P-C4' energy: -105.368 flat angles C4'-P-C4' energy: -121.974 flat angles P-C4'-P energy: -95.808 tors. eta vs tors. theta energy: -149.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1899.354120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.354120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.354120 (E_RNA) where: Base-Base interactions energy: -1311.554 where: short stacking energy: -541.218 Base-Backbone interact. energy: -3.061 local terms energy: -584.739016 where: bonds (distance) C4'-P energy: -109.402 bonds (distance) P-C4' energy: -117.345 flat angles C4'-P-C4' energy: -121.035 flat angles P-C4'-P energy: -84.986 tors. eta vs tors. theta energy: -151.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1417.021211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.021211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.021211 (E_RNA) where: Base-Base interactions energy: -895.692 where: short stacking energy: -376.611 Base-Backbone interact. energy: -2.024 local terms energy: -519.304578 where: bonds (distance) C4'-P energy: -112.753 bonds (distance) P-C4' energy: -132.491 flat angles C4'-P-C4' energy: -117.532 flat angles P-C4'-P energy: -71.863 tors. eta vs tors. theta energy: -84.666 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: 54 Temperature: 1.300000 Total energy: -1342.395868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.395868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.395868 (E_RNA) where: Base-Base interactions energy: -851.804 where: short stacking energy: -356.987 Base-Backbone interact. energy: -1.315 local terms energy: -489.276797 where: bonds (distance) C4'-P energy: -116.097 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -115.487 flat angles P-C4'-P energy: -67.144 tors. eta vs tors. theta energy: -71.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -779.685038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.685038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.685038 (E_RNA) where: Base-Base interactions energy: -403.808 where: short stacking energy: -221.940 Base-Backbone interact. energy: 0.588 local terms energy: -376.464871 where: bonds (distance) C4'-P energy: -93.166 bonds (distance) P-C4' energy: -110.617 flat angles C4'-P-C4' energy: -91.925 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: -18.851 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: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2468.021093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.021093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.021093 (E_RNA) where: Base-Base interactions energy: -1719.268 where: short stacking energy: -746.336 Base-Backbone interact. energy: -1.578 local terms energy: -747.175055 where: bonds (distance) C4'-P energy: -128.545 bonds (distance) P-C4' energy: -137.007 flat angles C4'-P-C4' energy: -153.695 flat angles P-C4'-P energy: -106.456 tors. eta vs tors. theta energy: -221.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2433.577881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.577881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.577881 (E_RNA) where: Base-Base interactions energy: -1721.572 where: short stacking energy: -703.401 Base-Backbone interact. energy: -3.105 local terms energy: -708.900828 where: bonds (distance) C4'-P energy: -129.326 bonds (distance) P-C4' energy: -121.048 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -107.722 tors. eta vs tors. theta energy: -202.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2337.850995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.850995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.850995 (E_RNA) where: Base-Base interactions energy: -1613.571 where: short stacking energy: -673.682 Base-Backbone interact. energy: -0.711 local terms energy: -723.568678 where: bonds (distance) C4'-P energy: -131.012 bonds (distance) P-C4' energy: -137.608 flat angles C4'-P-C4' energy: -145.498 flat angles P-C4'-P energy: -101.951 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: 4, replica: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2216.845093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.845093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.845093 (E_RNA) where: Base-Base interactions energy: -1532.269 where: short stacking energy: -649.733 Base-Backbone interact. energy: -2.469 local terms energy: -682.107620 where: bonds (distance) C4'-P energy: -118.879 bonds (distance) P-C4' energy: -113.101 flat angles C4'-P-C4' energy: -143.272 flat angles P-C4'-P energy: -106.295 tors. eta vs tors. theta energy: -200.561 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: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2108.581850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.581850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.581850 (E_RNA) where: Base-Base interactions energy: -1464.045 where: short stacking energy: -615.538 Base-Backbone interact. energy: -3.084 local terms energy: -641.452444 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -106.083 flat angles C4'-P-C4' energy: -142.438 flat angles P-C4'-P energy: -89.777 tors. eta vs tors. theta energy: -190.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2145.211994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.211994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.211994 (E_RNA) where: Base-Base interactions energy: -1505.406 where: short stacking energy: -628.095 Base-Backbone interact. energy: -0.798 local terms energy: -639.008157 where: bonds (distance) C4'-P energy: -118.762 bonds (distance) P-C4' energy: -106.910 flat angles C4'-P-C4' energy: -121.640 flat angles P-C4'-P energy: -103.645 tors. eta vs tors. theta energy: -188.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1913.922775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.922775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.922775 (E_RNA) where: Base-Base interactions energy: -1310.384 where: short stacking energy: -535.298 Base-Backbone interact. energy: -2.023 local terms energy: -601.515581 where: bonds (distance) C4'-P energy: -131.678 bonds (distance) P-C4' energy: -117.656 flat angles C4'-P-C4' energy: -128.892 flat angles P-C4'-P energy: -71.986 tors. eta vs tors. theta energy: -151.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1414.848731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.848731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.848731 (E_RNA) where: Base-Base interactions energy: -976.535 where: short stacking energy: -415.052 Base-Backbone interact. energy: -2.200 local terms energy: -436.113347 where: bonds (distance) C4'-P energy: -94.736 bonds (distance) P-C4' energy: -93.422 flat angles C4'-P-C4' energy: -96.065 flat angles P-C4'-P energy: -70.209 tors. eta vs tors. theta energy: -81.682 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: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1350.757057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.757057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.757057 (E_RNA) where: Base-Base interactions energy: -879.918 where: short stacking energy: -401.389 Base-Backbone interact. energy: -1.975 local terms energy: -468.863462 where: bonds (distance) C4'-P energy: -102.319 bonds (distance) P-C4' energy: -84.244 flat angles C4'-P-C4' energy: -123.498 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -99.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -823.914537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.914537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.914537 (E_RNA) where: Base-Base interactions energy: -470.071 where: short stacking energy: -205.342 Base-Backbone interact. energy: -4.380 local terms energy: -349.463831 where: bonds (distance) C4'-P energy: -92.691 bonds (distance) P-C4' energy: -116.692 flat angles C4'-P-C4' energy: -98.979 flat angles P-C4'-P energy: -55.359 tors. eta vs tors. theta energy: 14.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2489.241000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.241000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.241000 (E_RNA) where: Base-Base interactions energy: -1742.685 where: short stacking energy: -725.035 Base-Backbone interact. energy: -2.791 local terms energy: -743.765271 where: bonds (distance) C4'-P energy: -125.683 bonds (distance) P-C4' energy: -145.220 flat angles C4'-P-C4' energy: -157.048 flat angles P-C4'-P energy: -93.743 tors. eta vs tors. theta energy: -222.072 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: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2455.820010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.820010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.820010 (E_RNA) where: Base-Base interactions energy: -1734.219 where: short stacking energy: -730.377 Base-Backbone interact. energy: -0.909 local terms energy: -720.692182 where: bonds (distance) C4'-P energy: -129.038 bonds (distance) P-C4' energy: -125.111 flat angles C4'-P-C4' energy: -147.253 flat angles P-C4'-P energy: -101.769 tors. eta vs tors. theta energy: -217.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2373.081665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.081665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.081665 (E_RNA) where: Base-Base interactions energy: -1652.660 where: short stacking energy: -684.018 Base-Backbone interact. energy: -0.787 local terms energy: -719.634809 where: bonds (distance) C4'-P energy: -132.292 bonds (distance) P-C4' energy: -133.653 flat angles C4'-P-C4' energy: -146.018 flat angles P-C4'-P energy: -94.089 tors. eta vs tors. theta energy: -213.584 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: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2279.952939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.952939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.952939 (E_RNA) where: Base-Base interactions energy: -1580.944 where: short stacking energy: -690.278 Base-Backbone interact. energy: -3.027 local terms energy: -695.981960 where: bonds (distance) C4'-P energy: -125.424 bonds (distance) P-C4' energy: -121.927 flat angles C4'-P-C4' energy: -147.873 flat angles P-C4'-P energy: -98.747 tors. eta vs tors. theta energy: -202.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2205.847418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.847418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.847418 (E_RNA) where: Base-Base interactions energy: -1565.212 where: short stacking energy: -641.108 Base-Backbone interact. energy: -0.981 local terms energy: -639.653981 where: bonds (distance) C4'-P energy: -115.209 bonds (distance) P-C4' energy: -98.967 flat angles C4'-P-C4' energy: -139.317 flat angles P-C4'-P energy: -103.114 tors. eta vs tors. theta energy: -183.047 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: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2058.751691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.751691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.751691 (E_RNA) where: Base-Base interactions energy: -1395.855 where: short stacking energy: -600.007 Base-Backbone interact. energy: 0.333 local terms energy: -663.230113 where: bonds (distance) C4'-P energy: -119.554 bonds (distance) P-C4' energy: -111.834 flat angles C4'-P-C4' energy: -135.499 flat angles P-C4'-P energy: -114.115 tors. eta vs tors. theta energy: -182.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1929.926242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.926242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.926242 (E_RNA) where: Base-Base interactions energy: -1323.903 where: short stacking energy: -548.720 Base-Backbone interact. energy: 0.613 local terms energy: -606.636545 where: bonds (distance) C4'-P energy: -119.941 bonds (distance) P-C4' energy: -111.322 flat angles C4'-P-C4' energy: -122.774 flat angles P-C4'-P energy: -85.409 tors. eta vs tors. theta energy: -167.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1476.869054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.869054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.869054 (E_RNA) where: Base-Base interactions energy: -959.052 where: short stacking energy: -445.626 Base-Backbone interact. energy: -2.397 local terms energy: -515.419727 where: bonds (distance) C4'-P energy: -100.049 bonds (distance) P-C4' energy: -104.987 flat angles C4'-P-C4' energy: -109.835 flat angles P-C4'-P energy: -88.638 tors. eta vs tors. theta energy: -111.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1303.431858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.431858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.431858 (E_RNA) where: Base-Base interactions energy: -818.622 where: short stacking energy: -375.748 Base-Backbone interact. energy: -0.375 local terms energy: -484.435067 where: bonds (distance) C4'-P energy: -112.617 bonds (distance) P-C4' energy: -108.865 flat angles C4'-P-C4' energy: -112.154 flat angles P-C4'-P energy: -78.070 tors. eta vs tors. theta energy: -72.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -865.972742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.972742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.972742 (E_RNA) where: Base-Base interactions energy: -468.410 where: short stacking energy: -219.862 Base-Backbone interact. energy: 2.084 local terms energy: -399.646901 where: bonds (distance) C4'-P energy: -96.620 bonds (distance) P-C4' energy: -124.241 flat angles C4'-P-C4' energy: -101.038 flat angles P-C4'-P energy: -58.533 tors. eta vs tors. theta energy: -19.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2468.298345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.298345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.298345 (E_RNA) where: Base-Base interactions energy: -1718.998 where: short stacking energy: -746.963 Base-Backbone interact. energy: -0.661 local terms energy: -748.639676 where: bonds (distance) C4'-P energy: -136.219 bonds (distance) P-C4' energy: -133.099 flat angles C4'-P-C4' energy: -161.899 flat angles P-C4'-P energy: -103.604 tors. eta vs tors. theta energy: -213.819 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: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2476.194236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.194236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.194236 (E_RNA) where: Base-Base interactions energy: -1707.674 where: short stacking energy: -731.596 Base-Backbone interact. energy: -2.904 local terms energy: -765.616484 where: bonds (distance) C4'-P energy: -141.571 bonds (distance) P-C4' energy: -134.661 flat angles C4'-P-C4' energy: -151.171 flat angles P-C4'-P energy: -115.038 tors. eta vs tors. theta energy: -223.175 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: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2337.960045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.960045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.960045 (E_RNA) where: Base-Base interactions energy: -1635.878 where: short stacking energy: -689.769 Base-Backbone interact. energy: -3.569 local terms energy: -698.512460 where: bonds (distance) C4'-P energy: -125.122 bonds (distance) P-C4' energy: -113.875 flat angles C4'-P-C4' energy: -147.815 flat angles P-C4'-P energy: -105.831 tors. eta vs tors. theta energy: -205.870 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: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2243.347862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.347862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.347862 (E_RNA) where: Base-Base interactions energy: -1559.152 where: short stacking energy: -674.777 Base-Backbone interact. energy: -0.484 local terms energy: -683.712093 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -126.079 flat angles C4'-P-C4' energy: -143.938 flat angles P-C4'-P energy: -93.092 tors. eta vs tors. theta energy: -195.855 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: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2262.128066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.128066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.128066 (E_RNA) where: Base-Base interactions energy: -1619.195 where: short stacking energy: -684.106 Base-Backbone interact. energy: -3.519 local terms energy: -639.413683 where: bonds (distance) C4'-P energy: -99.791 bonds (distance) P-C4' energy: -109.810 flat angles C4'-P-C4' energy: -135.807 flat angles P-C4'-P energy: -85.093 tors. eta vs tors. theta energy: -208.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1963.764942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.764942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.764942 (E_RNA) where: Base-Base interactions energy: -1341.452 where: short stacking energy: -577.563 Base-Backbone interact. energy: 3.097 local terms energy: -625.410058 where: bonds (distance) C4'-P energy: -109.845 bonds (distance) P-C4' energy: -102.361 flat angles C4'-P-C4' energy: -141.826 flat angles P-C4'-P energy: -94.155 tors. eta vs tors. theta energy: -177.222 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: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1910.967711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.967711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.967711 (E_RNA) where: Base-Base interactions energy: -1321.120 where: short stacking energy: -535.101 Base-Backbone interact. energy: -1.336 local terms energy: -588.511699 where: bonds (distance) C4'-P energy: -115.955 bonds (distance) P-C4' energy: -119.146 flat angles C4'-P-C4' energy: -122.058 flat angles P-C4'-P energy: -87.627 tors. eta vs tors. theta energy: -143.726 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: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1457.746336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.746336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.746336 (E_RNA) where: Base-Base interactions energy: -931.063 where: short stacking energy: -420.799 Base-Backbone interact. energy: -2.729 local terms energy: -523.954219 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -123.779 flat angles C4'-P-C4' energy: -119.352 flat angles P-C4'-P energy: -83.755 tors. eta vs tors. theta energy: -90.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1400.205964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.205964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.205964 (E_RNA) where: Base-Base interactions energy: -901.395 where: short stacking energy: -390.699 Base-Backbone interact. energy: -3.843 local terms energy: -494.968790 where: bonds (distance) C4'-P energy: -108.323 bonds (distance) P-C4' energy: -104.452 flat angles C4'-P-C4' energy: -112.583 flat angles P-C4'-P energy: -78.744 tors. eta vs tors. theta energy: -90.866 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: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -887.456761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.456761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.456761 (E_RNA) where: Base-Base interactions energy: -531.830 where: short stacking energy: -248.930 Base-Backbone interact. energy: 4.049 local terms energy: -359.676566 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -101.836 flat angles C4'-P-C4' energy: -93.920 flat angles P-C4'-P energy: -52.750 tors. eta vs tors. theta energy: -20.093 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: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2497.057575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.057575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.057575 (E_RNA) where: Base-Base interactions energy: -1735.073 where: short stacking energy: -729.974 Base-Backbone interact. energy: -1.819 local terms energy: -760.166345 where: bonds (distance) C4'-P energy: -130.507 bonds (distance) P-C4' energy: -143.227 flat angles C4'-P-C4' energy: -152.788 flat angles P-C4'-P energy: -109.807 tors. eta vs tors. theta energy: -223.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2418.026846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.026846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.026846 (E_RNA) where: Base-Base interactions energy: -1693.202 where: short stacking energy: -715.326 Base-Backbone interact. energy: -0.292 local terms energy: -724.532213 where: bonds (distance) C4'-P energy: -127.915 bonds (distance) P-C4' energy: -130.620 flat angles C4'-P-C4' energy: -155.754 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -221.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2334.653922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.653922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.653922 (E_RNA) where: Base-Base interactions energy: -1627.948 where: short stacking energy: -682.566 Base-Backbone interact. energy: -2.445 local terms energy: -704.261071 where: bonds (distance) C4'-P energy: -134.632 bonds (distance) P-C4' energy: -126.087 flat angles C4'-P-C4' energy: -147.549 flat angles P-C4'-P energy: -90.989 tors. eta vs tors. theta energy: -205.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2244.202691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.202691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.202691 (E_RNA) where: Base-Base interactions energy: -1531.061 where: short stacking energy: -667.809 Base-Backbone interact. energy: -1.564 local terms energy: -711.577292 where: bonds (distance) C4'-P energy: -114.327 bonds (distance) P-C4' energy: -131.565 flat angles C4'-P-C4' energy: -150.736 flat angles P-C4'-P energy: -96.471 tors. eta vs tors. theta energy: -218.478 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: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2308.435263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.435263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.435263 (E_RNA) where: Base-Base interactions energy: -1646.504 where: short stacking energy: -685.147 Base-Backbone interact. energy: -2.967 local terms energy: -658.963300 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -137.440 flat angles C4'-P-C4' energy: -140.156 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: -203.744 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: 58 Temperature: 1.150000 Total energy: -1995.633289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.633289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.633289 (E_RNA) where: Base-Base interactions energy: -1368.654 where: short stacking energy: -562.219 Base-Backbone interact. energy: -4.274 local terms energy: -622.706030 where: bonds (distance) C4'-P energy: -87.654 bonds (distance) P-C4' energy: -128.450 flat angles C4'-P-C4' energy: -141.041 flat angles P-C4'-P energy: -98.963 tors. eta vs tors. theta energy: -166.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1881.903553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.903553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.903553 (E_RNA) where: Base-Base interactions energy: -1316.659 where: short stacking energy: -540.357 Base-Backbone interact. energy: -2.127 local terms energy: -563.116998 where: bonds (distance) C4'-P energy: -110.816 bonds (distance) P-C4' energy: -107.337 flat angles C4'-P-C4' energy: -119.819 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -146.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1491.958316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.958316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.958316 (E_RNA) where: Base-Base interactions energy: -1017.647 where: short stacking energy: -441.320 Base-Backbone interact. energy: 1.659 local terms energy: -475.970070 where: bonds (distance) C4'-P energy: -91.963 bonds (distance) P-C4' energy: -104.470 flat angles C4'-P-C4' energy: -122.023 flat angles P-C4'-P energy: -61.036 tors. eta vs tors. theta energy: -96.478 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: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1376.258933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.258933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.258933 (E_RNA) where: Base-Base interactions energy: -903.267 where: short stacking energy: -406.188 Base-Backbone interact. energy: -0.461 local terms energy: -472.531299 where: bonds (distance) C4'-P energy: -98.566 bonds (distance) P-C4' energy: -103.669 flat angles C4'-P-C4' energy: -120.095 flat angles P-C4'-P energy: -65.500 tors. eta vs tors. theta energy: -84.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -912.804434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.804434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.804434 (E_RNA) where: Base-Base interactions energy: -544.628 where: short stacking energy: -265.445 Base-Backbone interact. energy: 1.118 local terms energy: -369.294066 where: bonds (distance) C4'-P energy: -105.556 bonds (distance) P-C4' energy: -108.009 flat angles C4'-P-C4' energy: -78.657 flat angles P-C4'-P energy: -56.976 tors. eta vs tors. theta energy: -20.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2516.311658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.311658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.311658 (E_RNA) where: Base-Base interactions energy: -1754.493 where: short stacking energy: -737.512 Base-Backbone interact. energy: -3.217 local terms energy: -758.601486 where: bonds (distance) C4'-P energy: -129.841 bonds (distance) P-C4' energy: -142.743 flat angles C4'-P-C4' energy: -153.090 flat angles P-C4'-P energy: -105.261 tors. eta vs tors. theta energy: -227.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2435.948061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.948061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.948061 (E_RNA) where: Base-Base interactions energy: -1688.617 where: short stacking energy: -749.442 Base-Backbone interact. energy: -4.962 local terms energy: -742.369023 where: bonds (distance) C4'-P energy: -120.752 bonds (distance) P-C4' energy: -138.034 flat angles C4'-P-C4' energy: -153.549 flat angles P-C4'-P energy: -101.049 tors. eta vs tors. theta energy: -228.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2329.902121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.902121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.902121 (E_RNA) where: Base-Base interactions energy: -1651.343 where: short stacking energy: -684.980 Base-Backbone interact. energy: -1.803 local terms energy: -676.755851 where: bonds (distance) C4'-P energy: -120.843 bonds (distance) P-C4' energy: -113.361 flat angles C4'-P-C4' energy: -147.849 flat angles P-C4'-P energy: -90.528 tors. eta vs tors. theta energy: -204.175 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: 59 Temperature: 1.050000 Total energy: -2411.658631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.658631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.658631 (E_RNA) where: Base-Base interactions energy: -1719.737 where: short stacking energy: -708.970 Base-Backbone interact. energy: 0.317 local terms energy: -692.239332 where: bonds (distance) C4'-P energy: -120.538 bonds (distance) P-C4' energy: -119.047 flat angles C4'-P-C4' energy: -144.996 flat angles P-C4'-P energy: -106.272 tors. eta vs tors. theta energy: -201.387 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: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2235.092994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.092994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.092994 (E_RNA) where: Base-Base interactions energy: -1561.468 where: short stacking energy: -690.966 Base-Backbone interact. energy: -0.983 local terms energy: -672.642075 where: bonds (distance) C4'-P energy: -103.955 bonds (distance) P-C4' energy: -127.817 flat angles C4'-P-C4' energy: -140.280 flat angles P-C4'-P energy: -87.618 tors. eta vs tors. theta energy: -212.972 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: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2036.344267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.344267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.344267 (E_RNA) where: Base-Base interactions energy: -1387.204 where: short stacking energy: -603.776 Base-Backbone interact. energy: -1.726 local terms energy: -647.414420 where: bonds (distance) C4'-P energy: -111.917 bonds (distance) P-C4' energy: -121.747 flat angles C4'-P-C4' energy: -139.271 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -182.852 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: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1892.791721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.791721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.791721 (E_RNA) where: Base-Base interactions energy: -1314.434 where: short stacking energy: -535.296 Base-Backbone interact. energy: -1.822 local terms energy: -576.536233 where: bonds (distance) C4'-P energy: -107.996 bonds (distance) P-C4' energy: -104.912 flat angles C4'-P-C4' energy: -138.174 flat angles P-C4'-P energy: -77.234 tors. eta vs tors. theta energy: -148.220 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: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1522.344711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.344711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.344711 (E_RNA) where: Base-Base interactions energy: -1016.884 where: short stacking energy: -433.547 Base-Backbone interact. energy: -1.178 local terms energy: -504.282564 where: bonds (distance) C4'-P energy: -97.307 bonds (distance) P-C4' energy: -117.691 flat angles C4'-P-C4' energy: -105.155 flat angles P-C4'-P energy: -82.984 tors. eta vs tors. theta energy: -101.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1415.730503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.730503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.730503 (E_RNA) where: Base-Base interactions energy: -948.352 where: short stacking energy: -419.879 Base-Backbone interact. energy: 2.865 local terms energy: -470.242893 where: bonds (distance) C4'-P energy: -121.019 bonds (distance) P-C4' energy: -110.616 flat angles C4'-P-C4' energy: -115.355 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -70.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -889.635466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.635466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.635466 (E_RNA) where: Base-Base interactions energy: -508.311 where: short stacking energy: -242.642 Base-Backbone interact. energy: 0.064 local terms energy: -381.388569 where: bonds (distance) C4'-P energy: -103.517 bonds (distance) P-C4' energy: -103.429 flat angles C4'-P-C4' energy: -98.241 flat angles P-C4'-P energy: -51.853 tors. eta vs tors. theta energy: -24.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2494.163032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.163032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.163032 (E_RNA) where: Base-Base interactions energy: -1760.592 where: short stacking energy: -735.855 Base-Backbone interact. energy: -4.133 local terms energy: -729.438096 where: bonds (distance) C4'-P energy: -131.175 bonds (distance) P-C4' energy: -135.897 flat angles C4'-P-C4' energy: -134.233 flat angles P-C4'-P energy: -104.751 tors. eta vs tors. theta energy: -223.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2445.191456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.191456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.191456 (E_RNA) where: Base-Base interactions energy: -1699.802 where: short stacking energy: -716.840 Base-Backbone interact. energy: -2.361 local terms energy: -743.028845 where: bonds (distance) C4'-P energy: -126.527 bonds (distance) P-C4' energy: -126.278 flat angles C4'-P-C4' energy: -157.866 flat angles P-C4'-P energy: -109.457 tors. eta vs tors. theta energy: -222.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2410.526392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.526392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.526392 (E_RNA) where: Base-Base interactions energy: -1713.962 where: short stacking energy: -719.907 Base-Backbone interact. energy: -3.360 local terms energy: -693.204257 where: bonds (distance) C4'-P energy: -118.508 bonds (distance) P-C4' energy: -116.843 flat angles C4'-P-C4' energy: -147.968 flat angles P-C4'-P energy: -99.541 tors. eta vs tors. theta energy: -210.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2296.994966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.994966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.994966 (E_RNA) where: Base-Base interactions energy: -1611.831 where: short stacking energy: -691.507 Base-Backbone interact. energy: -2.088 local terms energy: -683.075731 where: bonds (distance) C4'-P energy: -129.736 bonds (distance) P-C4' energy: -123.874 flat angles C4'-P-C4' energy: -143.048 flat angles P-C4'-P energy: -85.330 tors. eta vs tors. theta energy: -201.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2244.036098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.036098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.036098 (E_RNA) where: Base-Base interactions energy: -1572.698 where: short stacking energy: -689.194 Base-Backbone interact. energy: 4.157 local terms energy: -675.494603 where: bonds (distance) C4'-P energy: -113.109 bonds (distance) P-C4' energy: -111.304 flat angles C4'-P-C4' energy: -147.977 flat angles P-C4'-P energy: -96.070 tors. eta vs tors. theta energy: -207.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2015.564827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.564827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.564827 (E_RNA) where: Base-Base interactions energy: -1407.274 where: short stacking energy: -621.521 Base-Backbone interact. energy: -3.385 local terms energy: -604.905816 where: bonds (distance) C4'-P energy: -109.865 bonds (distance) P-C4' energy: -104.052 flat angles C4'-P-C4' energy: -129.149 flat angles P-C4'-P energy: -85.625 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: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1878.049694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.049694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.049694 (E_RNA) where: Base-Base interactions energy: -1274.614 where: short stacking energy: -531.138 Base-Backbone interact. energy: -1.404 local terms energy: -602.031780 where: bonds (distance) C4'-P energy: -108.071 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -131.172 flat angles P-C4'-P energy: -91.333 tors. eta vs tors. theta energy: -145.583 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: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1631.718973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.718973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.718973 (E_RNA) where: Base-Base interactions energy: -1090.492 where: short stacking energy: -486.387 Base-Backbone interact. energy: 3.746 local terms energy: -544.972908 where: bonds (distance) C4'-P energy: -111.031 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -131.786 flat angles P-C4'-P energy: -72.202 tors. eta vs tors. theta energy: -112.638 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: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1388.252966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.252966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.252966 (E_RNA) where: Base-Base interactions energy: -924.259 where: short stacking energy: -383.972 Base-Backbone interact. energy: 0.719 local terms energy: -464.713392 where: bonds (distance) C4'-P energy: -89.815 bonds (distance) P-C4' energy: -105.564 flat angles C4'-P-C4' energy: -127.290 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: -93.847 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: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -886.378076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.378076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.378076 (E_RNA) where: Base-Base interactions energy: -500.837 where: short stacking energy: -264.119 Base-Backbone interact. energy: -2.322 local terms energy: -383.219680 where: bonds (distance) C4'-P energy: -105.444 bonds (distance) P-C4' energy: -122.844 flat angles C4'-P-C4' energy: -86.465 flat angles P-C4'-P energy: -60.066 tors. eta vs tors. theta energy: -8.401 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: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2486.413015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.413015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.413015 (E_RNA) where: Base-Base interactions energy: -1754.547 where: short stacking energy: -710.243 Base-Backbone interact. energy: -4.102 local terms energy: -727.763648 where: bonds (distance) C4'-P energy: -126.745 bonds (distance) P-C4' energy: -136.869 flat angles C4'-P-C4' energy: -151.296 flat angles P-C4'-P energy: -98.688 tors. eta vs tors. theta energy: -214.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2455.942507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.942507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.942507 (E_RNA) where: Base-Base interactions energy: -1759.421 where: short stacking energy: -703.907 Base-Backbone interact. energy: -2.336 local terms energy: -694.185445 where: bonds (distance) C4'-P energy: -121.771 bonds (distance) P-C4' energy: -117.460 flat angles C4'-P-C4' energy: -140.984 flat angles P-C4'-P energy: -100.430 tors. eta vs tors. theta energy: -213.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2435.385394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.385394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.385394 (E_RNA) where: Base-Base interactions energy: -1679.522 where: short stacking energy: -736.577 Base-Backbone interact. energy: -3.121 local terms energy: -752.742232 where: bonds (distance) C4'-P energy: -126.058 bonds (distance) P-C4' energy: -132.965 flat angles C4'-P-C4' energy: -159.555 flat angles P-C4'-P energy: -105.562 tors. eta vs tors. theta energy: -228.602 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: 5 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2317.789644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.789644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.789644 (E_RNA) where: Base-Base interactions energy: -1615.172 where: short stacking energy: -696.520 Base-Backbone interact. energy: -1.377 local terms energy: -701.240953 where: bonds (distance) C4'-P energy: -136.604 bonds (distance) P-C4' energy: -114.936 flat angles C4'-P-C4' energy: -134.352 flat angles P-C4'-P energy: -102.531 tors. eta vs tors. theta energy: -212.817 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: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2230.537297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.537297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.537297 (E_RNA) where: Base-Base interactions energy: -1569.778 where: short stacking energy: -687.980 Base-Backbone interact. energy: -3.797 local terms energy: -656.961488 where: bonds (distance) C4'-P energy: -83.544 bonds (distance) P-C4' energy: -135.544 flat angles C4'-P-C4' energy: -141.672 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -209.106 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: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2010.250421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.250421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.250421 (E_RNA) where: Base-Base interactions energy: -1386.073 where: short stacking energy: -585.611 Base-Backbone interact. energy: -4.453 local terms energy: -619.723621 where: bonds (distance) C4'-P energy: -108.416 bonds (distance) P-C4' energy: -118.514 flat angles C4'-P-C4' energy: -133.179 flat angles P-C4'-P energy: -88.820 tors. eta vs tors. theta energy: -170.794 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: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1758.899774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.899774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.899774 (E_RNA) where: Base-Base interactions energy: -1195.864 where: short stacking energy: -506.190 Base-Backbone interact. energy: -3.276 local terms energy: -559.759163 where: bonds (distance) C4'-P energy: -107.580 bonds (distance) P-C4' energy: -108.557 flat angles C4'-P-C4' energy: -144.971 flat angles P-C4'-P energy: -77.576 tors. eta vs tors. theta energy: -121.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1562.434955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.434955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.434955 (E_RNA) where: Base-Base interactions energy: -1039.573 where: short stacking energy: -463.818 Base-Backbone interact. energy: 0.658 local terms energy: -523.520610 where: bonds (distance) C4'-P energy: -114.232 bonds (distance) P-C4' energy: -99.518 flat angles C4'-P-C4' energy: -114.218 flat angles P-C4'-P energy: -70.464 tors. eta vs tors. theta energy: -125.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1431.908798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.908798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.908798 (E_RNA) where: Base-Base interactions energy: -931.967 where: short stacking energy: -420.414 Base-Backbone interact. energy: 6.601 local terms energy: -506.542747 where: bonds (distance) C4'-P energy: -110.777 bonds (distance) P-C4' energy: -109.749 flat angles C4'-P-C4' energy: -125.012 flat angles P-C4'-P energy: -78.202 tors. eta vs tors. theta energy: -82.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -928.903250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.903250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.903250 (E_RNA) where: Base-Base interactions energy: -507.817 where: short stacking energy: -262.099 Base-Backbone interact. energy: -0.438 local terms energy: -420.649135 where: bonds (distance) C4'-P energy: -112.539 bonds (distance) P-C4' energy: -122.891 flat angles C4'-P-C4' energy: -106.064 flat angles P-C4'-P energy: -60.698 tors. eta vs tors. theta energy: -18.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2533.261902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.261902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.261902 (E_RNA) where: Base-Base interactions energy: -1772.470 where: short stacking energy: -737.588 Base-Backbone interact. energy: -3.117 local terms energy: -757.674845 where: bonds (distance) C4'-P energy: -123.933 bonds (distance) P-C4' energy: -147.437 flat angles C4'-P-C4' energy: -152.645 flat angles P-C4'-P energy: -113.150 tors. eta vs tors. theta energy: -220.510 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: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2464.333103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.333103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.333103 (E_RNA) where: Base-Base interactions energy: -1734.693 where: short stacking energy: -724.411 Base-Backbone interact. energy: -1.864 local terms energy: -727.776304 where: bonds (distance) C4'-P energy: -119.395 bonds (distance) P-C4' energy: -129.850 flat angles C4'-P-C4' energy: -152.946 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -219.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2385.549781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.549781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.549781 (E_RNA) where: Base-Base interactions energy: -1644.757 where: short stacking energy: -715.291 Base-Backbone interact. energy: 2.576 local terms energy: -743.369181 where: bonds (distance) C4'-P energy: -133.803 bonds (distance) P-C4' energy: -131.695 flat angles C4'-P-C4' energy: -158.034 flat angles P-C4'-P energy: -98.326 tors. eta vs tors. theta energy: -221.512 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: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2299.001394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.001394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.001394 (E_RNA) where: Base-Base interactions energy: -1623.215 where: short stacking energy: -678.603 Base-Backbone interact. energy: -2.885 local terms energy: -672.900689 where: bonds (distance) C4'-P energy: -101.569 bonds (distance) P-C4' energy: -128.899 flat angles C4'-P-C4' energy: -149.546 flat angles P-C4'-P energy: -92.792 tors. eta vs tors. theta energy: -200.094 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: 62 Temperature: 1.100000 Total energy: -2173.557011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.557011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.557011 (E_RNA) where: Base-Base interactions energy: -1499.973 where: short stacking energy: -654.911 Base-Backbone interact. energy: -2.993 local terms energy: -670.590994 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -126.216 flat angles C4'-P-C4' energy: -145.146 flat angles P-C4'-P energy: -93.924 tors. eta vs tors. theta energy: -197.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2013.826882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.826882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.826882 (E_RNA) where: Base-Base interactions energy: -1405.469 where: short stacking energy: -590.813 Base-Backbone interact. energy: 1.784 local terms energy: -610.141693 where: bonds (distance) C4'-P energy: -126.203 bonds (distance) P-C4' energy: -114.932 flat angles C4'-P-C4' energy: -123.167 flat angles P-C4'-P energy: -72.947 tors. eta vs tors. theta energy: -172.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1743.646808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.646808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.646808 (E_RNA) where: Base-Base interactions energy: -1175.360 where: short stacking energy: -495.083 Base-Backbone interact. energy: 0.417 local terms energy: -568.703382 where: bonds (distance) C4'-P energy: -124.116 bonds (distance) P-C4' energy: -116.040 flat angles C4'-P-C4' energy: -130.511 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -119.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1499.015640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.015640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.015640 (E_RNA) where: Base-Base interactions energy: -975.599 where: short stacking energy: -431.736 Base-Backbone interact. energy: 0.464 local terms energy: -523.880726 where: bonds (distance) C4'-P energy: -116.409 bonds (distance) P-C4' energy: -96.049 flat angles C4'-P-C4' energy: -134.468 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -100.093 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: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1418.506761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.506761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.506761 (E_RNA) where: Base-Base interactions energy: -927.329 where: short stacking energy: -443.566 Base-Backbone interact. energy: -1.911 local terms energy: -489.266773 where: bonds (distance) C4'-P energy: -106.586 bonds (distance) P-C4' energy: -105.490 flat angles C4'-P-C4' energy: -97.695 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -108.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -913.791098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.791098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.791098 (E_RNA) where: Base-Base interactions energy: -510.649 where: short stacking energy: -231.103 Base-Backbone interact. energy: -3.651 local terms energy: -399.490609 where: bonds (distance) C4'-P energy: -93.370 bonds (distance) P-C4' energy: -118.425 flat angles C4'-P-C4' energy: -112.100 flat angles P-C4'-P energy: -71.375 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2542.712176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.712176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.712176 (E_RNA) where: Base-Base interactions energy: -1774.982 where: short stacking energy: -730.535 Base-Backbone interact. energy: -2.615 local terms energy: -765.115259 where: bonds (distance) C4'-P energy: -126.477 bonds (distance) P-C4' energy: -138.948 flat angles C4'-P-C4' energy: -160.608 flat angles P-C4'-P energy: -118.077 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: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2473.686749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.686749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.686749 (E_RNA) where: Base-Base interactions energy: -1742.786 where: short stacking energy: -737.241 Base-Backbone interact. energy: -2.036 local terms energy: -728.864610 where: bonds (distance) C4'-P energy: -118.036 bonds (distance) P-C4' energy: -135.881 flat angles C4'-P-C4' energy: -146.302 flat angles P-C4'-P energy: -105.282 tors. eta vs tors. theta energy: -223.364 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: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2383.468381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.468381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.468381 (E_RNA) where: Base-Base interactions energy: -1664.853 where: short stacking energy: -691.694 Base-Backbone interact. energy: -2.314 local terms energy: -716.301430 where: bonds (distance) C4'-P energy: -112.501 bonds (distance) P-C4' energy: -141.333 flat angles C4'-P-C4' energy: -143.110 flat angles P-C4'-P energy: -104.773 tors. eta vs tors. theta energy: -214.585 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: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2279.835635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.835635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.835635 (E_RNA) where: Base-Base interactions energy: -1575.233 where: short stacking energy: -673.972 Base-Backbone interact. energy: -1.865 local terms energy: -702.737055 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -130.810 flat angles C4'-P-C4' energy: -148.291 flat angles P-C4'-P energy: -108.342 tors. eta vs tors. theta energy: -205.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2131.752284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.752284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.752284 (E_RNA) where: Base-Base interactions energy: -1499.904 where: short stacking energy: -647.721 Base-Backbone interact. energy: -1.700 local terms energy: -630.148218 where: bonds (distance) C4'-P energy: -101.825 bonds (distance) P-C4' energy: -117.351 flat angles C4'-P-C4' energy: -133.967 flat angles P-C4'-P energy: -80.233 tors. eta vs tors. theta energy: -196.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2005.853089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.853089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.853089 (E_RNA) where: Base-Base interactions energy: -1376.741 where: short stacking energy: -589.596 Base-Backbone interact. energy: 4.827 local terms energy: -633.938832 where: bonds (distance) C4'-P energy: -115.610 bonds (distance) P-C4' energy: -111.903 flat angles C4'-P-C4' energy: -147.789 flat angles P-C4'-P energy: -78.011 tors. eta vs tors. theta energy: -180.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1783.945448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.945448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.945448 (E_RNA) where: Base-Base interactions energy: -1217.794 where: short stacking energy: -496.903 Base-Backbone interact. energy: -1.127 local terms energy: -565.024042 where: bonds (distance) C4'-P energy: -109.700 bonds (distance) P-C4' energy: -116.878 flat angles C4'-P-C4' energy: -120.917 flat angles P-C4'-P energy: -86.424 tors. eta vs tors. theta energy: -131.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1408.625124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.625124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.625124 (E_RNA) where: Base-Base interactions energy: -903.307 where: short stacking energy: -403.799 Base-Backbone interact. energy: 1.809 local terms energy: -507.127666 where: bonds (distance) C4'-P energy: -115.233 bonds (distance) P-C4' energy: -101.066 flat angles C4'-P-C4' energy: -120.848 flat angles P-C4'-P energy: -75.498 tors. eta vs tors. theta energy: -94.483 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: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1373.458665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.458665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.458665 (E_RNA) where: Base-Base interactions energy: -888.017 where: short stacking energy: -380.383 Base-Backbone interact. energy: -2.170 local terms energy: -483.271256 where: bonds (distance) C4'-P energy: -104.207 bonds (distance) P-C4' energy: -96.841 flat angles C4'-P-C4' energy: -119.485 flat angles P-C4'-P energy: -78.930 tors. eta vs tors. theta energy: -83.809 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: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -942.867094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.867094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.867094 (E_RNA) where: Base-Base interactions energy: -550.973 where: short stacking energy: -278.203 Base-Backbone interact. energy: -1.965 local terms energy: -389.928862 where: bonds (distance) C4'-P energy: -96.218 bonds (distance) P-C4' energy: -110.330 flat angles C4'-P-C4' energy: -78.951 flat angles P-C4'-P energy: -74.940 tors. eta vs tors. theta energy: -29.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2567.324833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.324833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.324833 (E_RNA) where: Base-Base interactions energy: -1828.466 where: short stacking energy: -733.441 Base-Backbone interact. energy: 0.304 local terms energy: -739.163260 where: bonds (distance) C4'-P energy: -125.300 bonds (distance) P-C4' energy: -132.069 flat angles C4'-P-C4' energy: -155.430 flat angles P-C4'-P energy: -110.679 tors. eta vs tors. theta energy: -215.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2430.370020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.370020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.370020 (E_RNA) where: Base-Base interactions energy: -1729.252 where: short stacking energy: -701.057 Base-Backbone interact. energy: -0.700 local terms energy: -700.417743 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -121.556 flat angles C4'-P-C4' energy: -146.939 flat angles P-C4'-P energy: -96.128 tors. eta vs tors. theta energy: -218.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2380.135886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.135886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.135886 (E_RNA) where: Base-Base interactions energy: -1680.562 where: short stacking energy: -745.622 Base-Backbone interact. energy: -1.426 local terms energy: -698.148359 where: bonds (distance) C4'-P energy: -131.732 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -133.279 flat angles P-C4'-P energy: -95.012 tors. eta vs tors. theta energy: -219.884 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: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2339.451183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.451183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.451183 (E_RNA) where: Base-Base interactions energy: -1636.353 where: short stacking energy: -683.721 Base-Backbone interact. energy: -1.871 local terms energy: -701.227338 where: bonds (distance) C4'-P energy: -121.138 bonds (distance) P-C4' energy: -128.696 flat angles C4'-P-C4' energy: -150.087 flat angles P-C4'-P energy: -89.507 tors. eta vs tors. theta energy: -211.800 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: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2145.151959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.151959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.151959 (E_RNA) where: Base-Base interactions energy: -1477.306 where: short stacking energy: -641.060 Base-Backbone interact. energy: -2.859 local terms energy: -664.986599 where: bonds (distance) C4'-P energy: -113.114 bonds (distance) P-C4' energy: -123.913 flat angles C4'-P-C4' energy: -150.154 flat angles P-C4'-P energy: -88.447 tors. eta vs tors. theta energy: -189.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1992.508282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.508282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.508282 (E_RNA) where: Base-Base interactions energy: -1367.900 where: short stacking energy: -575.733 Base-Backbone interact. energy: -3.100 local terms energy: -621.508036 where: bonds (distance) C4'-P energy: -101.033 bonds (distance) P-C4' energy: -126.897 flat angles C4'-P-C4' energy: -140.860 flat angles P-C4'-P energy: -97.207 tors. eta vs tors. theta energy: -155.511 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: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1955.335548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.335548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.335548 (E_RNA) where: Base-Base interactions energy: -1355.516 where: short stacking energy: -543.989 Base-Backbone interact. energy: 2.206 local terms energy: -602.025341 where: bonds (distance) C4'-P energy: -115.752 bonds (distance) P-C4' energy: -108.884 flat angles C4'-P-C4' energy: -135.282 flat angles P-C4'-P energy: -82.404 tors. eta vs tors. theta energy: -159.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1433.464846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.464846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.464846 (E_RNA) where: Base-Base interactions energy: -960.354 where: short stacking energy: -420.968 Base-Backbone interact. energy: 2.653 local terms energy: -475.763557 where: bonds (distance) C4'-P energy: -90.389 bonds (distance) P-C4' energy: -115.946 flat angles C4'-P-C4' energy: -124.459 flat angles P-C4'-P energy: -58.563 tors. eta vs tors. theta energy: -86.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1380.354208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.354208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.354208 (E_RNA) where: Base-Base interactions energy: -860.286 where: short stacking energy: -385.154 Base-Backbone interact. energy: 0.078 local terms energy: -520.146101 where: bonds (distance) C4'-P energy: -118.325 bonds (distance) P-C4' energy: -121.204 flat angles C4'-P-C4' energy: -118.996 flat angles P-C4'-P energy: -76.658 tors. eta vs tors. theta energy: -84.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -977.277369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.277369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.277369 (E_RNA) where: Base-Base interactions energy: -576.522 where: short stacking energy: -267.070 Base-Backbone interact. energy: 2.059 local terms energy: -402.814210 where: bonds (distance) C4'-P energy: -111.344 bonds (distance) P-C4' energy: -107.676 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -54.233 tors. eta vs tors. theta energy: -23.892 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: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2549.362005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.362005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.362005 (E_RNA) where: Base-Base interactions energy: -1790.128 where: short stacking energy: -742.663 Base-Backbone interact. energy: -0.251 local terms energy: -758.983273 where: bonds (distance) C4'-P energy: -131.685 bonds (distance) P-C4' energy: -140.825 flat angles C4'-P-C4' energy: -157.384 flat angles P-C4'-P energy: -99.573 tors. eta vs tors. theta energy: -229.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2468.643898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.643898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.643898 (E_RNA) where: Base-Base interactions energy: -1717.835 where: short stacking energy: -724.947 Base-Backbone interact. energy: -2.140 local terms energy: -748.669532 where: bonds (distance) C4'-P energy: -131.626 bonds (distance) P-C4' energy: -142.027 flat angles C4'-P-C4' energy: -147.789 flat angles P-C4'-P energy: -110.293 tors. eta vs tors. theta energy: -216.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2412.853585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.853585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.853585 (E_RNA) where: Base-Base interactions energy: -1687.531 where: short stacking energy: -685.301 Base-Backbone interact. energy: -2.542 local terms energy: -722.779864 where: bonds (distance) C4'-P energy: -109.061 bonds (distance) P-C4' energy: -122.010 flat angles C4'-P-C4' energy: -160.325 flat angles P-C4'-P energy: -110.896 tors. eta vs tors. theta energy: -220.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2357.665709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.665709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.665709 (E_RNA) where: Base-Base interactions energy: -1684.700 where: short stacking energy: -719.428 Base-Backbone interact. energy: -2.676 local terms energy: -670.289957 where: bonds (distance) C4'-P energy: -117.090 bonds (distance) P-C4' energy: -107.095 flat angles C4'-P-C4' energy: -152.376 flat angles P-C4'-P energy: -89.615 tors. eta vs tors. theta energy: -204.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2139.817447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.817447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.817447 (E_RNA) where: Base-Base interactions energy: -1480.895 where: short stacking energy: -622.707 Base-Backbone interact. energy: 0.449 local terms energy: -659.371000 where: bonds (distance) C4'-P energy: -106.499 bonds (distance) P-C4' energy: -116.139 flat angles C4'-P-C4' energy: -133.601 flat angles P-C4'-P energy: -111.785 tors. eta vs tors. theta energy: -191.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1977.189531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.189531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.189531 (E_RNA) where: Base-Base interactions energy: -1361.030 where: short stacking energy: -570.694 Base-Backbone interact. energy: 7.740 local terms energy: -623.899601 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -117.592 flat angles C4'-P-C4' energy: -133.775 flat angles P-C4'-P energy: -89.113 tors. eta vs tors. theta energy: -173.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1868.103335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.103335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.103335 (E_RNA) where: Base-Base interactions energy: -1287.908 where: short stacking energy: -553.641 Base-Backbone interact. energy: -1.401 local terms energy: -578.794321 where: bonds (distance) C4'-P energy: -108.384 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -130.332 flat angles P-C4'-P energy: -82.474 tors. eta vs tors. theta energy: -156.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1577.302448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.302448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.302448 (E_RNA) where: Base-Base interactions energy: -1047.846 where: short stacking energy: -436.052 Base-Backbone interact. energy: 2.765 local terms energy: -532.221383 where: bonds (distance) C4'-P energy: -120.524 bonds (distance) P-C4' energy: -121.994 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -82.926 tors. eta vs tors. theta energy: -98.391 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: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1363.198076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.198076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.198076 (E_RNA) where: Base-Base interactions energy: -886.138 where: short stacking energy: -409.726 Base-Backbone interact. energy: 4.572 local terms energy: -481.632160 where: bonds (distance) C4'-P energy: -113.918 bonds (distance) P-C4' energy: -111.361 flat angles C4'-P-C4' energy: -108.014 flat angles P-C4'-P energy: -70.090 tors. eta vs tors. theta energy: -78.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -950.452227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.452227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.452227 (E_RNA) where: Base-Base interactions energy: -536.724 where: short stacking energy: -254.326 Base-Backbone interact. energy: 1.976 local terms energy: -415.704508 where: bonds (distance) C4'-P energy: -112.101 bonds (distance) P-C4' energy: -117.032 flat angles C4'-P-C4' energy: -116.528 flat angles P-C4'-P energy: -52.691 tors. eta vs tors. theta energy: -17.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2552.829937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.829937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.829937 (E_RNA) where: Base-Base interactions energy: -1804.399 where: short stacking energy: -741.951 Base-Backbone interact. energy: -1.284 local terms energy: -747.146745 where: bonds (distance) C4'-P energy: -132.613 bonds (distance) P-C4' energy: -144.517 flat angles C4'-P-C4' energy: -140.528 flat angles P-C4'-P energy: -104.044 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: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2444.912617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.912617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.912617 (E_RNA) where: Base-Base interactions energy: -1728.714 where: short stacking energy: -712.858 Base-Backbone interact. energy: -2.705 local terms energy: -713.492848 where: bonds (distance) C4'-P energy: -123.010 bonds (distance) P-C4' energy: -114.682 flat angles C4'-P-C4' energy: -149.590 flat angles P-C4'-P energy: -111.784 tors. eta vs tors. theta energy: -214.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2399.005215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.005215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.005215 (E_RNA) where: Base-Base interactions energy: -1675.555 where: short stacking energy: -706.229 Base-Backbone interact. energy: -2.166 local terms energy: -721.284131 where: bonds (distance) C4'-P energy: -127.919 bonds (distance) P-C4' energy: -131.011 flat angles C4'-P-C4' energy: -140.217 flat angles P-C4'-P energy: -98.989 tors. eta vs tors. theta energy: -223.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2347.246142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.246142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.246142 (E_RNA) where: Base-Base interactions energy: -1644.910 where: short stacking energy: -703.508 Base-Backbone interact. energy: -4.328 local terms energy: -698.008325 where: bonds (distance) C4'-P energy: -109.304 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -148.036 flat angles P-C4'-P energy: -93.341 tors. eta vs tors. theta energy: -218.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2132.164915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.164915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.164915 (E_RNA) where: Base-Base interactions energy: -1471.310 where: short stacking energy: -643.531 Base-Backbone interact. energy: 1.364 local terms energy: -662.219019 where: bonds (distance) C4'-P energy: -109.478 bonds (distance) P-C4' energy: -124.169 flat angles C4'-P-C4' energy: -142.386 flat angles P-C4'-P energy: -87.009 tors. eta vs tors. theta energy: -199.178 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: 66 Temperature: 1.150000 Total energy: -2004.016217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.016217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.016217 (E_RNA) where: Base-Base interactions energy: -1370.397 where: short stacking energy: -576.109 Base-Backbone interact. energy: -2.033 local terms energy: -631.586280 where: bonds (distance) C4'-P energy: -120.893 bonds (distance) P-C4' energy: -108.597 flat angles C4'-P-C4' energy: -131.205 flat angles P-C4'-P energy: -95.312 tors. eta vs tors. theta energy: -175.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1849.040384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.040384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.040384 (E_RNA) where: Base-Base interactions energy: -1282.404 where: short stacking energy: -555.276 Base-Backbone interact. energy: -4.128 local terms energy: -562.507633 where: bonds (distance) C4'-P energy: -94.341 bonds (distance) P-C4' energy: -104.639 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -82.482 tors. eta vs tors. theta energy: -151.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1582.499366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.499366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.499366 (E_RNA) where: Base-Base interactions energy: -1073.000 where: short stacking energy: -464.478 Base-Backbone interact. energy: 1.255 local terms energy: -510.754300 where: bonds (distance) C4'-P energy: -117.631 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -116.806 flat angles P-C4'-P energy: -73.220 tors. eta vs tors. theta energy: -106.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1345.933366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.933366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.933366 (E_RNA) where: Base-Base interactions energy: -873.721 where: short stacking energy: -411.179 Base-Backbone interact. energy: -3.188 local terms energy: -469.024702 where: bonds (distance) C4'-P energy: -111.493 bonds (distance) P-C4' energy: -90.025 flat angles C4'-P-C4' energy: -123.052 flat angles P-C4'-P energy: -73.285 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: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -956.704032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.704032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.704032 (E_RNA) where: Base-Base interactions energy: -568.214 where: short stacking energy: -285.577 Base-Backbone interact. energy: 3.395 local terms energy: -391.885031 where: bonds (distance) C4'-P energy: -94.687 bonds (distance) P-C4' energy: -106.996 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -62.659 tors. eta vs tors. theta energy: -24.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2556.061302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.061302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.061302 (E_RNA) where: Base-Base interactions energy: -1812.878 where: short stacking energy: -757.500 Base-Backbone interact. energy: 1.772 local terms energy: -744.955738 where: bonds (distance) C4'-P energy: -130.266 bonds (distance) P-C4' energy: -134.604 flat angles C4'-P-C4' energy: -145.110 flat angles P-C4'-P energy: -107.412 tors. eta vs tors. theta energy: -227.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2470.645734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.645734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.645734 (E_RNA) where: Base-Base interactions energy: -1740.334 where: short stacking energy: -707.543 Base-Backbone interact. energy: -2.153 local terms energy: -728.158424 where: bonds (distance) C4'-P energy: -135.928 bonds (distance) P-C4' energy: -128.446 flat angles C4'-P-C4' energy: -147.076 flat angles P-C4'-P energy: -101.272 tors. eta vs tors. theta energy: -215.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2380.720275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.720275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.720275 (E_RNA) where: Base-Base interactions energy: -1657.934 where: short stacking energy: -727.578 Base-Backbone interact. energy: -1.545 local terms energy: -721.240771 where: bonds (distance) C4'-P energy: -112.359 bonds (distance) P-C4' energy: -131.427 flat angles C4'-P-C4' energy: -152.547 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -218.947 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: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2286.416564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.416564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.416564 (E_RNA) where: Base-Base interactions energy: -1608.887 where: short stacking energy: -654.703 Base-Backbone interact. energy: -1.966 local terms energy: -675.563778 where: bonds (distance) C4'-P energy: -130.505 bonds (distance) P-C4' energy: -117.339 flat angles C4'-P-C4' energy: -144.541 flat angles P-C4'-P energy: -93.565 tors. eta vs tors. theta energy: -189.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2113.140954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.140954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.140954 (E_RNA) where: Base-Base interactions energy: -1462.481 where: short stacking energy: -646.317 Base-Backbone interact. energy: -0.241 local terms energy: -650.419146 where: bonds (distance) C4'-P energy: -112.747 bonds (distance) P-C4' energy: -120.537 flat angles C4'-P-C4' energy: -123.322 flat angles P-C4'-P energy: -94.642 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: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2021.171531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.171531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.171531 (E_RNA) where: Base-Base interactions energy: -1410.262 where: short stacking energy: -615.350 Base-Backbone interact. energy: 0.571 local terms energy: -611.480045 where: bonds (distance) C4'-P energy: -106.704 bonds (distance) P-C4' energy: -99.040 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -94.700 tors. eta vs tors. theta energy: -195.894 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: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1764.114990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.114990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.114990 (E_RNA) where: Base-Base interactions energy: -1222.865 where: short stacking energy: -514.874 Base-Backbone interact. energy: -3.921 local terms energy: -537.328786 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -113.344 flat angles C4'-P-C4' energy: -113.991 flat angles P-C4'-P energy: -78.669 tors. eta vs tors. theta energy: -117.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1718.755410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.755410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.755410 (E_RNA) where: Base-Base interactions energy: -1164.929 where: short stacking energy: -496.029 Base-Backbone interact. energy: 1.690 local terms energy: -555.516742 where: bonds (distance) C4'-P energy: -125.460 bonds (distance) P-C4' energy: -116.409 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: -114.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1387.245169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.245169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.245169 (E_RNA) where: Base-Base interactions energy: -891.524 where: short stacking energy: -394.366 Base-Backbone interact. energy: -1.271 local terms energy: -494.449575 where: bonds (distance) C4'-P energy: -117.545 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -100.803 flat angles P-C4'-P energy: -71.179 tors. eta vs tors. theta energy: -84.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -988.649147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.649147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.649147 (E_RNA) where: Base-Base interactions energy: -593.766 where: short stacking energy: -290.610 Base-Backbone interact. energy: -3.192 local terms energy: -391.690472 where: bonds (distance) C4'-P energy: -96.977 bonds (distance) P-C4' energy: -110.358 flat angles C4'-P-C4' energy: -90.126 flat angles P-C4'-P energy: -63.443 tors. eta vs tors. theta energy: -30.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2552.030168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.030168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.030168 (E_RNA) where: Base-Base interactions energy: -1789.759 where: short stacking energy: -755.348 Base-Backbone interact. energy: -2.229 local terms energy: -760.041925 where: bonds (distance) C4'-P energy: -138.487 bonds (distance) P-C4' energy: -137.662 flat angles C4'-P-C4' energy: -153.232 flat angles P-C4'-P energy: -101.044 tors. eta vs tors. theta energy: -229.617 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: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2445.508375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.508375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.508375 (E_RNA) where: Base-Base interactions energy: -1711.549 where: short stacking energy: -714.295 Base-Backbone interact. energy: 3.547 local terms energy: -737.505724 where: bonds (distance) C4'-P energy: -135.633 bonds (distance) P-C4' energy: -122.756 flat angles C4'-P-C4' energy: -161.068 flat angles P-C4'-P energy: -101.890 tors. eta vs tors. theta energy: -216.159 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: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2376.708307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.708307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.708307 (E_RNA) where: Base-Base interactions energy: -1658.418 where: short stacking energy: -701.756 Base-Backbone interact. energy: 2.849 local terms energy: -721.138517 where: bonds (distance) C4'-P energy: -120.170 bonds (distance) P-C4' energy: -136.255 flat angles C4'-P-C4' energy: -150.592 flat angles P-C4'-P energy: -97.399 tors. eta vs tors. theta energy: -216.723 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: 68 Temperature: 1.050000 Total energy: -2277.108845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.108845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.108845 (E_RNA) where: Base-Base interactions energy: -1615.948 where: short stacking energy: -660.841 Base-Backbone interact. energy: -3.309 local terms energy: -657.851996 where: bonds (distance) C4'-P energy: -123.496 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -133.172 flat angles P-C4'-P energy: -88.036 tors. eta vs tors. theta energy: -200.502 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2089.925752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.925752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.925752 (E_RNA) where: Base-Base interactions energy: -1454.174 where: short stacking energy: -625.252 Base-Backbone interact. energy: -2.134 local terms energy: -633.617972 where: bonds (distance) C4'-P energy: -104.725 bonds (distance) P-C4' energy: -119.946 flat angles C4'-P-C4' energy: -122.859 flat angles P-C4'-P energy: -104.726 tors. eta vs tors. theta energy: -181.363 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: 68 Temperature: 1.150000 Total energy: -2058.397396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.397396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.397396 (E_RNA) where: Base-Base interactions energy: -1425.809 where: short stacking energy: -619.236 Base-Backbone interact. energy: 1.243 local terms energy: -633.831299 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -123.028 flat angles C4'-P-C4' energy: -124.242 flat angles P-C4'-P energy: -81.068 tors. eta vs tors. theta energy: -195.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1714.452143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.452143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.452143 (E_RNA) where: Base-Base interactions energy: -1204.727 where: short stacking energy: -497.223 Base-Backbone interact. energy: 0.774 local terms energy: -510.498772 where: bonds (distance) C4'-P energy: -93.559 bonds (distance) P-C4' energy: -98.928 flat angles C4'-P-C4' energy: -115.296 flat angles P-C4'-P energy: -83.755 tors. eta vs tors. theta energy: -118.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1656.943015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.943015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.943015 (E_RNA) where: Base-Base interactions energy: -1116.048 where: short stacking energy: -477.231 Base-Backbone interact. energy: 1.632 local terms energy: -542.527461 where: bonds (distance) C4'-P energy: -105.051 bonds (distance) P-C4' energy: -117.222 flat angles C4'-P-C4' energy: -108.050 flat angles P-C4'-P energy: -76.112 tors. eta vs tors. theta energy: -136.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1363.225628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.225628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.225628 (E_RNA) where: Base-Base interactions energy: -871.157 where: short stacking energy: -418.891 Base-Backbone interact. energy: 3.463 local terms energy: -495.531741 where: bonds (distance) C4'-P energy: -92.060 bonds (distance) P-C4' energy: -104.964 flat angles C4'-P-C4' energy: -123.878 flat angles P-C4'-P energy: -76.855 tors. eta vs tors. theta energy: -97.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -932.007803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.007803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.007803 (E_RNA) where: Base-Base interactions energy: -536.862 where: short stacking energy: -260.161 Base-Backbone interact. energy: -1.086 local terms energy: -394.060584 where: bonds (distance) C4'-P energy: -103.322 bonds (distance) P-C4' energy: -115.191 flat angles C4'-P-C4' energy: -96.541 flat angles P-C4'-P energy: -52.317 tors. eta vs tors. theta energy: -26.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2564.130870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.130870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.130870 (E_RNA) where: Base-Base interactions energy: -1800.332 where: short stacking energy: -746.065 Base-Backbone interact. energy: -1.933 local terms energy: -761.865509 where: bonds (distance) C4'-P energy: -133.281 bonds (distance) P-C4' energy: -142.142 flat angles C4'-P-C4' energy: -156.101 flat angles P-C4'-P energy: -100.508 tors. eta vs tors. theta energy: -229.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2464.413854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.413854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.413854 (E_RNA) where: Base-Base interactions energy: -1716.433 where: short stacking energy: -728.384 Base-Backbone interact. energy: -2.998 local terms energy: -744.982460 where: bonds (distance) C4'-P energy: -134.985 bonds (distance) P-C4' energy: -123.832 flat angles C4'-P-C4' energy: -146.994 flat angles P-C4'-P energy: -120.111 tors. eta vs tors. theta energy: -219.060 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: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2382.447491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.447491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.447491 (E_RNA) where: Base-Base interactions energy: -1648.075 where: short stacking energy: -718.581 Base-Backbone interact. energy: 1.370 local terms energy: -735.742416 where: bonds (distance) C4'-P energy: -129.680 bonds (distance) P-C4' energy: -136.604 flat angles C4'-P-C4' energy: -143.737 flat angles P-C4'-P energy: -105.675 tors. eta vs tors. theta energy: -220.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2316.771708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.771708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.771708 (E_RNA) where: Base-Base interactions energy: -1623.563 where: short stacking energy: -664.504 Base-Backbone interact. energy: 0.279 local terms energy: -693.487442 where: bonds (distance) C4'-P energy: -137.197 bonds (distance) P-C4' energy: -130.403 flat angles C4'-P-C4' energy: -137.098 flat angles P-C4'-P energy: -92.253 tors. eta vs tors. theta energy: -196.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2109.229740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.229740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.229740 (E_RNA) where: Base-Base interactions energy: -1451.310 where: short stacking energy: -647.202 Base-Backbone interact. energy: -1.183 local terms energy: -656.736875 where: bonds (distance) C4'-P energy: -122.170 bonds (distance) P-C4' energy: -111.220 flat angles C4'-P-C4' energy: -134.803 flat angles P-C4'-P energy: -96.730 tors. eta vs tors. theta energy: -191.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2047.041534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.041534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.041534 (E_RNA) where: Base-Base interactions energy: -1409.197 where: short stacking energy: -612.171 Base-Backbone interact. energy: -2.875 local terms energy: -634.969567 where: bonds (distance) C4'-P energy: -123.897 bonds (distance) P-C4' energy: -103.245 flat angles C4'-P-C4' energy: -141.517 flat angles P-C4'-P energy: -88.482 tors. eta vs tors. theta energy: -177.828 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1681.320086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.320086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.320086 (E_RNA) where: Base-Base interactions energy: -1130.725 where: short stacking energy: -484.415 Base-Backbone interact. energy: -4.215 local terms energy: -546.379955 where: bonds (distance) C4'-P energy: -115.894 bonds (distance) P-C4' energy: -115.820 flat angles C4'-P-C4' energy: -123.506 flat angles P-C4'-P energy: -74.544 tors. eta vs tors. theta energy: -116.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1597.791398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.791398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.791398 (E_RNA) where: Base-Base interactions energy: -1079.073 where: short stacking energy: -466.909 Base-Backbone interact. energy: -3.546 local terms energy: -515.172365 where: bonds (distance) C4'-P energy: -116.217 bonds (distance) P-C4' energy: -103.221 flat angles C4'-P-C4' energy: -125.622 flat angles P-C4'-P energy: -64.431 tors. eta vs tors. theta energy: -105.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1394.192208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.192208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.192208 (E_RNA) where: Base-Base interactions energy: -915.064 where: short stacking energy: -406.527 Base-Backbone interact. energy: -4.467 local terms energy: -474.661166 where: bonds (distance) C4'-P energy: -95.366 bonds (distance) P-C4' energy: -100.179 flat angles C4'-P-C4' energy: -130.862 flat angles P-C4'-P energy: -73.812 tors. eta vs tors. theta energy: -74.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -964.028845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.028845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.028845 (E_RNA) where: Base-Base interactions energy: -530.247 where: short stacking energy: -264.763 Base-Backbone interact. energy: -2.498 local terms energy: -431.283713 where: bonds (distance) C4'-P energy: -96.983 bonds (distance) P-C4' energy: -121.314 flat angles C4'-P-C4' energy: -107.846 flat angles P-C4'-P energy: -73.629 tors. eta vs tors. theta energy: -31.511 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: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2530.589012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.589012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.589012 (E_RNA) where: Base-Base interactions energy: -1778.686 where: short stacking energy: -765.957 Base-Backbone interact. energy: -0.844 local terms energy: -751.058751 where: bonds (distance) C4'-P energy: -129.904 bonds (distance) P-C4' energy: -134.226 flat angles C4'-P-C4' energy: -156.767 flat angles P-C4'-P energy: -107.113 tors. eta vs tors. theta energy: -223.049 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: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2483.885853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.885853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.885853 (E_RNA) where: Base-Base interactions energy: -1732.398 where: short stacking energy: -729.981 Base-Backbone interact. energy: -4.075 local terms energy: -747.413325 where: bonds (distance) C4'-P energy: -128.002 bonds (distance) P-C4' energy: -139.649 flat angles C4'-P-C4' energy: -148.308 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -229.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2401.758506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.758506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.758506 (E_RNA) where: Base-Base interactions energy: -1653.870 where: short stacking energy: -672.682 Base-Backbone interact. energy: -3.055 local terms energy: -744.832871 where: bonds (distance) C4'-P energy: -135.907 bonds (distance) P-C4' energy: -133.743 flat angles C4'-P-C4' energy: -153.578 flat angles P-C4'-P energy: -107.189 tors. eta vs tors. theta energy: -214.415 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: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2353.427660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.427660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.427660 (E_RNA) where: Base-Base interactions energy: -1650.640 where: short stacking energy: -709.107 Base-Backbone interact. energy: -2.572 local terms energy: -700.215255 where: bonds (distance) C4'-P energy: -113.925 bonds (distance) P-C4' energy: -126.390 flat angles C4'-P-C4' energy: -151.538 flat angles P-C4'-P energy: -95.224 tors. eta vs tors. theta energy: -213.139 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: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2157.638474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.638474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.638474 (E_RNA) where: Base-Base interactions energy: -1478.548 where: short stacking energy: -639.127 Base-Backbone interact. energy: -0.809 local terms energy: -678.281221 where: bonds (distance) C4'-P energy: -123.890 bonds (distance) P-C4' energy: -131.814 flat angles C4'-P-C4' energy: -139.285 flat angles P-C4'-P energy: -90.281 tors. eta vs tors. theta energy: -193.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2017.025505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.025505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.025505 (E_RNA) where: Base-Base interactions energy: -1369.287 where: short stacking energy: -593.223 Base-Backbone interact. energy: 0.757 local terms energy: -648.495117 where: bonds (distance) C4'-P energy: -116.944 bonds (distance) P-C4' energy: -116.268 flat angles C4'-P-C4' energy: -137.486 flat angles P-C4'-P energy: -97.629 tors. eta vs tors. theta energy: -180.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1670.020416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.020416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.020416 (E_RNA) where: Base-Base interactions energy: -1122.125 where: short stacking energy: -461.312 Base-Backbone interact. energy: -1.782 local terms energy: -546.113003 where: bonds (distance) C4'-P energy: -106.301 bonds (distance) P-C4' energy: -131.916 flat angles C4'-P-C4' energy: -108.025 flat angles P-C4'-P energy: -83.174 tors. eta vs tors. theta energy: -116.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1610.976524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.976524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.976524 (E_RNA) where: Base-Base interactions energy: -1085.805 where: short stacking energy: -459.834 Base-Backbone interact. energy: 5.312 local terms energy: -530.483551 where: bonds (distance) C4'-P energy: -103.587 bonds (distance) P-C4' energy: -104.712 flat angles C4'-P-C4' energy: -119.063 flat angles P-C4'-P energy: -82.602 tors. eta vs tors. theta energy: -120.519 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: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1479.352120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.352120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.352120 (E_RNA) where: Base-Base interactions energy: -1004.627 where: short stacking energy: -447.535 Base-Backbone interact. energy: -2.123 local terms energy: -472.601942 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -87.117 flat angles C4'-P-C4' energy: -111.308 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: -108.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -951.435642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.435642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.435642 (E_RNA) where: Base-Base interactions energy: -573.261 where: short stacking energy: -272.189 Base-Backbone interact. energy: 3.205 local terms energy: -381.379917 where: bonds (distance) C4'-P energy: -110.508 bonds (distance) P-C4' energy: -102.882 flat angles C4'-P-C4' energy: -99.832 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: -24.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2545.859904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.859904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.859904 (E_RNA) where: Base-Base interactions energy: -1808.574 where: short stacking energy: -764.431 Base-Backbone interact. energy: -1.780 local terms energy: -735.505338 where: bonds (distance) C4'-P energy: -116.075 bonds (distance) P-C4' energy: -130.389 flat angles C4'-P-C4' energy: -159.982 flat angles P-C4'-P energy: -100.970 tors. eta vs tors. theta energy: -228.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2474.392268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.392268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.392268 (E_RNA) where: Base-Base interactions energy: -1744.246 where: short stacking energy: -734.118 Base-Backbone interact. energy: -2.884 local terms energy: -727.262219 where: bonds (distance) C4'-P energy: -122.014 bonds (distance) P-C4' energy: -129.470 flat angles C4'-P-C4' energy: -158.701 flat angles P-C4'-P energy: -96.682 tors. eta vs tors. theta energy: -220.395 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: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2403.604096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.604096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.604096 (E_RNA) where: Base-Base interactions energy: -1676.742 where: short stacking energy: -714.267 Base-Backbone interact. energy: -0.978 local terms energy: -725.883716 where: bonds (distance) C4'-P energy: -122.351 bonds (distance) P-C4' energy: -137.810 flat angles C4'-P-C4' energy: -150.134 flat angles P-C4'-P energy: -93.522 tors. eta vs tors. theta energy: -222.067 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: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2277.312965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.312965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.312965 (E_RNA) where: Base-Base interactions energy: -1590.312 where: short stacking energy: -701.961 Base-Backbone interact. energy: 1.620 local terms energy: -688.621543 where: bonds (distance) C4'-P energy: -120.533 bonds (distance) P-C4' energy: -123.963 flat angles C4'-P-C4' energy: -149.369 flat angles P-C4'-P energy: -91.672 tors. eta vs tors. theta energy: -203.084 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: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2051.007819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.007819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.007819 (E_RNA) where: Base-Base interactions energy: -1415.806 where: short stacking energy: -605.689 Base-Backbone interact. energy: -1.200 local terms energy: -634.001985 where: bonds (distance) C4'-P energy: -117.317 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -137.886 flat angles P-C4'-P energy: -94.804 tors. eta vs tors. theta energy: -170.983 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: 71 Temperature: 1.150000 Total energy: -2001.028216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.028216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.028216 (E_RNA) where: Base-Base interactions energy: -1380.430 where: short stacking energy: -608.512 Base-Backbone interact. energy: -1.994 local terms energy: -618.604622 where: bonds (distance) C4'-P energy: -96.040 bonds (distance) P-C4' energy: -127.250 flat angles C4'-P-C4' energy: -146.264 flat angles P-C4'-P energy: -87.245 tors. eta vs tors. theta energy: -161.805 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: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1647.397994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.397994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.397994 (E_RNA) where: Base-Base interactions energy: -1110.310 where: short stacking energy: -468.071 Base-Backbone interact. energy: 1.019 local terms energy: -538.106903 where: bonds (distance) C4'-P energy: -95.726 bonds (distance) P-C4' energy: -131.119 flat angles C4'-P-C4' energy: -132.977 flat angles P-C4'-P energy: -64.034 tors. eta vs tors. theta energy: -114.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1624.288110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.288110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.288110 (E_RNA) where: Base-Base interactions energy: -1064.143 where: short stacking energy: -440.952 Base-Backbone interact. energy: 0.145 local terms energy: -560.289526 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -126.677 flat angles C4'-P-C4' energy: -113.456 flat angles P-C4'-P energy: -101.069 tors. eta vs tors. theta energy: -109.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1391.708345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.708345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.708345 (E_RNA) where: Base-Base interactions energy: -895.725 where: short stacking energy: -417.451 Base-Backbone interact. energy: 6.500 local terms energy: -502.482929 where: bonds (distance) C4'-P energy: -105.158 bonds (distance) P-C4' energy: -117.515 flat angles C4'-P-C4' energy: -113.626 flat angles P-C4'-P energy: -73.483 tors. eta vs tors. theta energy: -92.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -959.434429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.434429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.434429 (E_RNA) where: Base-Base interactions energy: -579.113 where: short stacking energy: -296.769 Base-Backbone interact. energy: -0.176 local terms energy: -380.145527 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -99.733 flat angles C4'-P-C4' energy: -92.597 flat angles P-C4'-P energy: -61.626 tors. eta vs tors. theta energy: -29.985 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: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2559.219438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.219438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.219438 (E_RNA) where: Base-Base interactions energy: -1787.155 where: short stacking energy: -771.437 Base-Backbone interact. energy: -2.023 local terms energy: -770.041121 where: bonds (distance) C4'-P energy: -136.964 bonds (distance) P-C4' energy: -135.087 flat angles C4'-P-C4' energy: -165.247 flat angles P-C4'-P energy: -105.475 tors. eta vs tors. theta energy: -227.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2452.846925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.846925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.846925 (E_RNA) where: Base-Base interactions energy: -1715.092 where: short stacking energy: -711.174 Base-Backbone interact. energy: -2.069 local terms energy: -735.686069 where: bonds (distance) C4'-P energy: -124.285 bonds (distance) P-C4' energy: -128.862 flat angles C4'-P-C4' energy: -164.468 flat angles P-C4'-P energy: -101.423 tors. eta vs tors. theta energy: -216.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2377.805146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.805146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.805146 (E_RNA) where: Base-Base interactions energy: -1679.832 where: short stacking energy: -707.707 Base-Backbone interact. energy: 5.052 local terms energy: -703.024904 where: bonds (distance) C4'-P energy: -118.114 bonds (distance) P-C4' energy: -136.304 flat angles C4'-P-C4' energy: -147.576 flat angles P-C4'-P energy: -88.222 tors. eta vs tors. theta energy: -212.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2293.252653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.252653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.252653 (E_RNA) where: Base-Base interactions energy: -1620.283 where: short stacking energy: -714.506 Base-Backbone interact. energy: -0.976 local terms energy: -671.993406 where: bonds (distance) C4'-P energy: -104.745 bonds (distance) P-C4' energy: -126.991 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -85.595 tors. eta vs tors. theta energy: -206.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2136.728356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.728356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.728356 (E_RNA) where: Base-Base interactions energy: -1479.461 where: short stacking energy: -633.274 Base-Backbone interact. energy: -0.600 local terms energy: -656.666951 where: bonds (distance) C4'-P energy: -127.965 bonds (distance) P-C4' energy: -122.158 flat angles C4'-P-C4' energy: -131.260 flat angles P-C4'-P energy: -92.765 tors. eta vs tors. theta energy: -182.518 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: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2014.501498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.501498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.501498 (E_RNA) where: Base-Base interactions energy: -1375.077 where: short stacking energy: -596.045 Base-Backbone interact. energy: -1.424 local terms energy: -638.000889 where: bonds (distance) C4'-P energy: -113.980 bonds (distance) P-C4' energy: -119.769 flat angles C4'-P-C4' energy: -137.433 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -187.437 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: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1703.300939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.300939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.300939 (E_RNA) where: Base-Base interactions energy: -1149.711 where: short stacking energy: -460.502 Base-Backbone interact. energy: -2.304 local terms energy: -551.286151 where: bonds (distance) C4'-P energy: -96.407 bonds (distance) P-C4' energy: -128.296 flat angles C4'-P-C4' energy: -125.659 flat angles P-C4'-P energy: -81.828 tors. eta vs tors. theta energy: -119.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1624.280765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.280765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.280765 (E_RNA) where: Base-Base interactions energy: -1121.486 where: short stacking energy: -464.885 Base-Backbone interact. energy: -3.785 local terms energy: -499.009896 where: bonds (distance) C4'-P energy: -99.782 bonds (distance) P-C4' energy: -99.269 flat angles C4'-P-C4' energy: -122.658 flat angles P-C4'-P energy: -76.119 tors. eta vs tors. theta energy: -101.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1303.526167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.526167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.526167 (E_RNA) where: Base-Base interactions energy: -799.777 where: short stacking energy: -375.548 Base-Backbone interact. energy: -1.923 local terms energy: -501.826607 where: bonds (distance) C4'-P energy: -104.565 bonds (distance) P-C4' energy: -137.327 flat angles C4'-P-C4' energy: -117.042 flat angles P-C4'-P energy: -72.471 tors. eta vs tors. theta energy: -70.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -992.412576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.412576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.412576 (E_RNA) where: Base-Base interactions energy: -585.427 where: short stacking energy: -273.998 Base-Backbone interact. energy: 2.641 local terms energy: -409.626693 where: bonds (distance) C4'-P energy: -105.511 bonds (distance) P-C4' energy: -110.419 flat angles C4'-P-C4' energy: -111.309 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -24.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2582.055037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.055037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.055037 (E_RNA) where: Base-Base interactions energy: -1813.164 where: short stacking energy: -758.184 Base-Backbone interact. energy: 3.569 local terms energy: -772.460266 where: bonds (distance) C4'-P energy: -137.786 bonds (distance) P-C4' energy: -133.841 flat angles C4'-P-C4' energy: -161.014 flat angles P-C4'-P energy: -109.944 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: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2436.693972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.693972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.693972 (E_RNA) where: Base-Base interactions energy: -1700.907 where: short stacking energy: -722.094 Base-Backbone interact. energy: -3.302 local terms energy: -732.484454 where: bonds (distance) C4'-P energy: -128.241 bonds (distance) P-C4' energy: -125.636 flat angles C4'-P-C4' energy: -150.515 flat angles P-C4'-P energy: -103.591 tors. eta vs tors. theta energy: -224.500 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: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2381.661977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.661977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.661977 (E_RNA) where: Base-Base interactions energy: -1645.668 where: short stacking energy: -727.416 Base-Backbone interact. energy: -1.902 local terms energy: -734.091116 where: bonds (distance) C4'-P energy: -125.889 bonds (distance) P-C4' energy: -123.256 flat angles C4'-P-C4' energy: -155.868 flat angles P-C4'-P energy: -111.857 tors. eta vs tors. theta energy: -217.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2245.505088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.505088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.505088 (E_RNA) where: Base-Base interactions energy: -1551.952 where: short stacking energy: -680.801 Base-Backbone interact. energy: -0.899 local terms energy: -692.654620 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -114.227 flat angles C4'-P-C4' energy: -139.549 flat angles P-C4'-P energy: -103.775 tors. eta vs tors. theta energy: -212.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2153.039902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.039902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.039902 (E_RNA) where: Base-Base interactions energy: -1510.559 where: short stacking energy: -648.681 Base-Backbone interact. energy: -1.341 local terms energy: -641.140375 where: bonds (distance) C4'-P energy: -108.519 bonds (distance) P-C4' energy: -126.864 flat angles C4'-P-C4' energy: -127.552 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -191.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1997.925313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.925313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.925313 (E_RNA) where: Base-Base interactions energy: -1368.927 where: short stacking energy: -590.594 Base-Backbone interact. energy: -0.598 local terms energy: -628.400558 where: bonds (distance) C4'-P energy: -109.718 bonds (distance) P-C4' energy: -121.363 flat angles C4'-P-C4' energy: -127.525 flat angles P-C4'-P energy: -85.599 tors. eta vs tors. theta energy: -184.195 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: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1754.638310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.638310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.638310 (E_RNA) where: Base-Base interactions energy: -1171.968 where: short stacking energy: -491.889 Base-Backbone interact. energy: -0.759 local terms energy: -581.911054 where: bonds (distance) C4'-P energy: -120.494 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -129.452 flat angles P-C4'-P energy: -73.136 tors. eta vs tors. theta energy: -132.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1608.920372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.920372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.920372 (E_RNA) where: Base-Base interactions energy: -1050.111 where: short stacking energy: -468.491 Base-Backbone interact. energy: -1.672 local terms energy: -557.137033 where: bonds (distance) C4'-P energy: -111.471 bonds (distance) P-C4' energy: -106.687 flat angles C4'-P-C4' energy: -137.101 flat angles P-C4'-P energy: -78.653 tors. eta vs tors. theta energy: -123.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1343.207514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.207514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.207514 (E_RNA) where: Base-Base interactions energy: -857.206 where: short stacking energy: -386.022 Base-Backbone interact. energy: 3.194 local terms energy: -489.196346 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -128.301 flat angles C4'-P-C4' energy: -101.454 flat angles P-C4'-P energy: -62.057 tors. eta vs tors. theta energy: -79.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -999.924927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.924927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.924927 (E_RNA) where: Base-Base interactions energy: -626.224 where: short stacking energy: -318.117 Base-Backbone interact. energy: 12.522 local terms energy: -386.222496 where: bonds (distance) C4'-P energy: -97.807 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -92.355 flat angles P-C4'-P energy: -56.687 tors. eta vs tors. theta energy: -39.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2556.883157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.883157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.883157 (E_RNA) where: Base-Base interactions energy: -1805.525 where: short stacking energy: -750.542 Base-Backbone interact. energy: -2.293 local terms energy: -749.065057 where: bonds (distance) C4'-P energy: -140.362 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -159.629 flat angles P-C4'-P energy: -100.049 tors. eta vs tors. theta energy: -228.247 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: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2447.702127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.702127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.702127 (E_RNA) where: Base-Base interactions energy: -1702.648 where: short stacking energy: -729.519 Base-Backbone interact. energy: -2.386 local terms energy: -742.667840 where: bonds (distance) C4'-P energy: -127.026 bonds (distance) P-C4' energy: -141.570 flat angles C4'-P-C4' energy: -154.556 flat angles P-C4'-P energy: -99.158 tors. eta vs tors. theta energy: -220.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2371.580893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.580893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.580893 (E_RNA) where: Base-Base interactions energy: -1665.838 where: short stacking energy: -710.088 Base-Backbone interact. energy: -1.002 local terms energy: -704.740199 where: bonds (distance) C4'-P energy: -118.482 bonds (distance) P-C4' energy: -136.953 flat angles C4'-P-C4' energy: -148.888 flat angles P-C4'-P energy: -97.130 tors. eta vs tors. theta energy: -203.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2250.892595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.892595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.892595 (E_RNA) where: Base-Base interactions energy: -1592.405 where: short stacking energy: -677.446 Base-Backbone interact. energy: -0.005 local terms energy: -658.483452 where: bonds (distance) C4'-P energy: -93.737 bonds (distance) P-C4' energy: -121.403 flat angles C4'-P-C4' energy: -150.900 flat angles P-C4'-P energy: -91.313 tors. eta vs tors. theta energy: -201.130 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: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2118.776285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.776285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.776285 (E_RNA) where: Base-Base interactions energy: -1456.080 where: short stacking energy: -605.919 Base-Backbone interact. energy: -0.641 local terms energy: -662.055585 where: bonds (distance) C4'-P energy: -130.211 bonds (distance) P-C4' energy: -119.289 flat angles C4'-P-C4' energy: -138.137 flat angles P-C4'-P energy: -99.070 tors. eta vs tors. theta energy: -175.349 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: 74 Temperature: 1.150000 Total energy: -2000.504963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.504963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.504963 (E_RNA) where: Base-Base interactions energy: -1350.897 where: short stacking energy: -595.851 Base-Backbone interact. energy: -0.482 local terms energy: -649.125602 where: bonds (distance) C4'-P energy: -122.992 bonds (distance) P-C4' energy: -103.722 flat angles C4'-P-C4' energy: -141.833 flat angles P-C4'-P energy: -105.262 tors. eta vs tors. theta energy: -175.317 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: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1649.861090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.861090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.861090 (E_RNA) where: Base-Base interactions energy: -1140.986 where: short stacking energy: -487.124 Base-Backbone interact. energy: 5.481 local terms energy: -514.355900 where: bonds (distance) C4'-P energy: -104.042 bonds (distance) P-C4' energy: -102.661 flat angles C4'-P-C4' energy: -118.267 flat angles P-C4'-P energy: -77.959 tors. eta vs tors. theta energy: -111.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1688.091945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.091945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.091945 (E_RNA) where: Base-Base interactions energy: -1168.516 where: short stacking energy: -501.345 Base-Backbone interact. energy: -0.621 local terms energy: -518.954408 where: bonds (distance) C4'-P energy: -106.489 bonds (distance) P-C4' energy: -101.379 flat angles C4'-P-C4' energy: -117.037 flat angles P-C4'-P energy: -72.737 tors. eta vs tors. theta energy: -121.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1430.667126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.667126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.667126 (E_RNA) where: Base-Base interactions energy: -887.070 where: short stacking energy: -413.140 Base-Backbone interact. energy: -5.017 local terms energy: -538.580978 where: bonds (distance) C4'-P energy: -119.199 bonds (distance) P-C4' energy: -117.038 flat angles C4'-P-C4' energy: -131.258 flat angles P-C4'-P energy: -80.206 tors. eta vs tors. theta energy: -90.880 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: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1010.755066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.755066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.755066 (E_RNA) where: Base-Base interactions energy: -614.586 where: short stacking energy: -264.886 Base-Backbone interact. energy: -2.308 local terms energy: -393.861016 where: bonds (distance) C4'-P energy: -95.427 bonds (distance) P-C4' energy: -116.015 flat angles C4'-P-C4' energy: -102.593 flat angles P-C4'-P energy: -52.570 tors. eta vs tors. theta energy: -27.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2548.721462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.721462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.721462 (E_RNA) where: Base-Base interactions energy: -1781.423 where: short stacking energy: -746.544 Base-Backbone interact. energy: -1.844 local terms energy: -765.453588 where: bonds (distance) C4'-P energy: -134.084 bonds (distance) P-C4' energy: -137.793 flat angles C4'-P-C4' energy: -166.397 flat angles P-C4'-P energy: -108.492 tors. eta vs tors. theta energy: -218.687 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: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2413.101398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.101398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.101398 (E_RNA) where: Base-Base interactions energy: -1677.391 where: short stacking energy: -702.249 Base-Backbone interact. energy: -4.043 local terms energy: -731.667932 where: bonds (distance) C4'-P energy: -117.981 bonds (distance) P-C4' energy: -128.787 flat angles C4'-P-C4' energy: -157.899 flat angles P-C4'-P energy: -113.985 tors. eta vs tors. theta energy: -213.016 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: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2383.898424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.898424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.898424 (E_RNA) where: Base-Base interactions energy: -1663.643 where: short stacking energy: -686.434 Base-Backbone interact. energy: -3.056 local terms energy: -717.200125 where: bonds (distance) C4'-P energy: -129.288 bonds (distance) P-C4' energy: -124.038 flat angles C4'-P-C4' energy: -141.552 flat angles P-C4'-P energy: -104.793 tors. eta vs tors. theta energy: -217.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2262.696043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.696043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.696043 (E_RNA) where: Base-Base interactions energy: -1596.021 where: short stacking energy: -668.315 Base-Backbone interact. energy: -1.662 local terms energy: -665.014011 where: bonds (distance) C4'-P energy: -114.196 bonds (distance) P-C4' energy: -122.292 flat angles C4'-P-C4' energy: -138.526 flat angles P-C4'-P energy: -89.657 tors. eta vs tors. theta energy: -200.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2169.419776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.419776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.419776 (E_RNA) where: Base-Base interactions energy: -1487.540 where: short stacking energy: -629.554 Base-Backbone interact. energy: -0.866 local terms energy: -681.013177 where: bonds (distance) C4'-P energy: -125.002 bonds (distance) P-C4' energy: -140.107 flat angles C4'-P-C4' energy: -142.460 flat angles P-C4'-P energy: -92.146 tors. eta vs tors. theta energy: -181.298 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: 75 Temperature: 1.150000 Total energy: -1997.837567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.837567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.837567 (E_RNA) where: Base-Base interactions energy: -1356.812 where: short stacking energy: -601.307 Base-Backbone interact. energy: -0.439 local terms energy: -640.586437 where: bonds (distance) C4'-P energy: -124.038 bonds (distance) P-C4' energy: -113.570 flat angles C4'-P-C4' energy: -129.890 flat angles P-C4'-P energy: -101.093 tors. eta vs tors. theta energy: -171.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1675.971796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.971796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.971796 (E_RNA) where: Base-Base interactions energy: -1156.622 where: short stacking energy: -484.347 Base-Backbone interact. energy: 0.010 local terms energy: -519.359030 where: bonds (distance) C4'-P energy: -98.568 bonds (distance) P-C4' energy: -111.317 flat angles C4'-P-C4' energy: -110.990 flat angles P-C4'-P energy: -82.054 tors. eta vs tors. theta energy: -116.430 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: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1641.172928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.172928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.172928 (E_RNA) where: Base-Base interactions energy: -1113.978 where: short stacking energy: -460.462 Base-Backbone interact. energy: 2.776 local terms energy: -529.970740 where: bonds (distance) C4'-P energy: -121.814 bonds (distance) P-C4' energy: -92.621 flat angles C4'-P-C4' energy: -128.679 flat angles P-C4'-P energy: -66.871 tors. eta vs tors. theta energy: -119.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1436.590872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.590872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.590872 (E_RNA) where: Base-Base interactions energy: -905.143 where: short stacking energy: -414.996 Base-Backbone interact. energy: 1.549 local terms energy: -532.996501 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -118.247 flat angles C4'-P-C4' energy: -142.289 flat angles P-C4'-P energy: -73.907 tors. eta vs tors. theta energy: -89.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1045.389956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.389956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.389956 (E_RNA) where: Base-Base interactions energy: -691.616 where: short stacking energy: -321.571 Base-Backbone interact. energy: 0.979 local terms energy: -354.752899 where: bonds (distance) C4'-P energy: -93.734 bonds (distance) P-C4' energy: -94.314 flat angles C4'-P-C4' energy: -89.157 flat angles P-C4'-P energy: -65.341 tors. eta vs tors. theta energy: -12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2563.266904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.266904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.266904 (E_RNA) where: Base-Base interactions energy: -1799.551 where: short stacking energy: -767.259 Base-Backbone interact. energy: -0.941 local terms energy: -762.775292 where: bonds (distance) C4'-P energy: -132.229 bonds (distance) P-C4' energy: -138.187 flat angles C4'-P-C4' energy: -157.850 flat angles P-C4'-P energy: -97.695 tors. eta vs tors. theta energy: -236.813 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: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2439.275465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.275465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.275465 (E_RNA) where: Base-Base interactions energy: -1662.076 where: short stacking energy: -718.239 Base-Backbone interact. energy: -2.544 local terms energy: -774.655176 where: bonds (distance) C4'-P energy: -139.459 bonds (distance) P-C4' energy: -139.903 flat angles C4'-P-C4' energy: -162.808 flat angles P-C4'-P energy: -108.610 tors. eta vs tors. theta energy: -223.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2405.030230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.030230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.030230 (E_RNA) where: Base-Base interactions energy: -1683.291 where: short stacking energy: -704.535 Base-Backbone interact. energy: -3.222 local terms energy: -718.517326 where: bonds (distance) C4'-P energy: -128.896 bonds (distance) P-C4' energy: -124.734 flat angles C4'-P-C4' energy: -151.269 flat angles P-C4'-P energy: -104.907 tors. eta vs tors. theta energy: -208.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2291.283010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.283010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.283010 (E_RNA) where: Base-Base interactions energy: -1616.984 where: short stacking energy: -673.691 Base-Backbone interact. energy: -2.063 local terms energy: -672.235870 where: bonds (distance) C4'-P energy: -117.126 bonds (distance) P-C4' energy: -133.084 flat angles C4'-P-C4' energy: -133.116 flat angles P-C4'-P energy: -92.071 tors. eta vs tors. theta energy: -196.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2145.042511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.042511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.042511 (E_RNA) where: Base-Base interactions energy: -1518.420 where: short stacking energy: -634.195 Base-Backbone interact. energy: -2.359 local terms energy: -624.263492 where: bonds (distance) C4'-P energy: -113.769 bonds (distance) P-C4' energy: -125.653 flat angles C4'-P-C4' energy: -117.555 flat angles P-C4'-P energy: -77.898 tors. eta vs tors. theta energy: -189.387 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: 76 Temperature: 1.150000 Total energy: -1944.979838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.979838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.979838 (E_RNA) where: Base-Base interactions energy: -1332.609 where: short stacking energy: -577.831 Base-Backbone interact. energy: -2.389 local terms energy: -609.982145 where: bonds (distance) C4'-P energy: -115.462 bonds (distance) P-C4' energy: -105.565 flat angles C4'-P-C4' energy: -138.355 flat angles P-C4'-P energy: -86.541 tors. eta vs tors. theta energy: -164.059 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: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1627.168396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.168396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.168396 (E_RNA) where: Base-Base interactions energy: -1088.415 where: short stacking energy: -480.241 Base-Backbone interact. energy: -0.324 local terms energy: -538.429920 where: bonds (distance) C4'-P energy: -126.258 bonds (distance) P-C4' energy: -106.538 flat angles C4'-P-C4' energy: -116.944 flat angles P-C4'-P energy: -79.661 tors. eta vs tors. theta energy: -109.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1595.502671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.502671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.502671 (E_RNA) where: Base-Base interactions energy: -1097.520 where: short stacking energy: -437.361 Base-Backbone interact. energy: 3.708 local terms energy: -501.691484 where: bonds (distance) C4'-P energy: -100.510 bonds (distance) P-C4' energy: -118.331 flat angles C4'-P-C4' energy: -124.433 flat angles P-C4'-P energy: -64.853 tors. eta vs tors. theta energy: -93.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1292.415505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.415505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.415505 (E_RNA) where: Base-Base interactions energy: -808.296 where: short stacking energy: -358.331 Base-Backbone interact. energy: -0.163 local terms energy: -483.955901 where: bonds (distance) C4'-P energy: -98.381 bonds (distance) P-C4' energy: -118.911 flat angles C4'-P-C4' energy: -120.966 flat angles P-C4'-P energy: -78.438 tors. eta vs tors. theta energy: -67.260 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: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1021.576458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.576458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.576458 (E_RNA) where: Base-Base interactions energy: -610.291 where: short stacking energy: -275.693 Base-Backbone interact. energy: -2.747 local terms energy: -408.538420 where: bonds (distance) C4'-P energy: -107.731 bonds (distance) P-C4' energy: -111.137 flat angles C4'-P-C4' energy: -94.049 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: -40.169 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: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2577.764683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.764683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.764683 (E_RNA) where: Base-Base interactions energy: -1816.407 where: short stacking energy: -768.599 Base-Backbone interact. energy: -0.625 local terms energy: -760.732168 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -132.536 flat angles C4'-P-C4' energy: -161.618 flat angles P-C4'-P energy: -107.347 tors. eta vs tors. theta energy: -231.789 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: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2422.432704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.432704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.432704 (E_RNA) where: Base-Base interactions energy: -1678.403 where: short stacking energy: -731.122 Base-Backbone interact. energy: -1.734 local terms energy: -742.295454 where: bonds (distance) C4'-P energy: -125.075 bonds (distance) P-C4' energy: -138.643 flat angles C4'-P-C4' energy: -151.564 flat angles P-C4'-P energy: -103.394 tors. eta vs tors. theta energy: -223.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2349.380057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.380057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.380057 (E_RNA) where: Base-Base interactions energy: -1627.856 where: short stacking energy: -677.955 Base-Backbone interact. energy: -3.499 local terms energy: -718.025250 where: bonds (distance) C4'-P energy: -114.418 bonds (distance) P-C4' energy: -138.952 flat angles C4'-P-C4' energy: -154.904 flat angles P-C4'-P energy: -89.035 tors. eta vs tors. theta energy: -220.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2265.201713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.201713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.201713 (E_RNA) where: Base-Base interactions energy: -1581.139 where: short stacking energy: -653.631 Base-Backbone interact. energy: -2.147 local terms energy: -681.915514 where: bonds (distance) C4'-P energy: -111.636 bonds (distance) P-C4' energy: -117.522 flat angles C4'-P-C4' energy: -152.117 flat angles P-C4'-P energy: -102.904 tors. eta vs tors. theta energy: -197.736 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: 77 Temperature: 1.100000 Total energy: -2122.723445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.723445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.723445 (E_RNA) where: Base-Base interactions energy: -1455.644 where: short stacking energy: -634.025 Base-Backbone interact. energy: -0.646 local terms energy: -666.433641 where: bonds (distance) C4'-P energy: -112.260 bonds (distance) P-C4' energy: -130.869 flat angles C4'-P-C4' energy: -137.162 flat angles P-C4'-P energy: -99.247 tors. eta vs tors. theta energy: -186.896 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: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1965.483324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.483324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.483324 (E_RNA) where: Base-Base interactions energy: -1314.671 where: short stacking energy: -561.994 Base-Backbone interact. energy: 2.382 local terms energy: -653.194754 where: bonds (distance) C4'-P energy: -109.241 bonds (distance) P-C4' energy: -131.263 flat angles C4'-P-C4' energy: -142.875 flat angles P-C4'-P energy: -94.297 tors. eta vs tors. theta energy: -175.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1649.507944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.507944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.507944 (E_RNA) where: Base-Base interactions energy: -1107.739 where: short stacking energy: -455.082 Base-Backbone interact. energy: -2.373 local terms energy: -539.396008 where: bonds (distance) C4'-P energy: -118.236 bonds (distance) P-C4' energy: -112.102 flat angles C4'-P-C4' energy: -122.339 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: -110.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1643.194717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.194717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.194717 (E_RNA) where: Base-Base interactions energy: -1132.232 where: short stacking energy: -491.683 Base-Backbone interact. energy: 0.953 local terms energy: -511.915475 where: bonds (distance) C4'-P energy: -96.589 bonds (distance) P-C4' energy: -105.658 flat angles C4'-P-C4' energy: -121.185 flat angles P-C4'-P energy: -76.192 tors. eta vs tors. theta energy: -112.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1342.407459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.407459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.407459 (E_RNA) where: Base-Base interactions energy: -877.806 where: short stacking energy: -390.145 Base-Backbone interact. energy: 1.162 local terms energy: -465.763903 where: bonds (distance) C4'-P energy: -101.085 bonds (distance) P-C4' energy: -115.684 flat angles C4'-P-C4' energy: -107.227 flat angles P-C4'-P energy: -69.559 tors. eta vs tors. theta energy: -72.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1118.829805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.829805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.829805 (E_RNA) where: Base-Base interactions energy: -676.285 where: short stacking energy: -310.661 Base-Backbone interact. energy: -0.194 local terms energy: -442.350698 where: bonds (distance) C4'-P energy: -111.121 bonds (distance) P-C4' energy: -111.773 flat angles C4'-P-C4' energy: -109.414 flat angles P-C4'-P energy: -67.807 tors. eta vs tors. theta energy: -42.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2585.695749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.695749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.695749 (E_RNA) where: Base-Base interactions energy: -1808.080 where: short stacking energy: -765.029 Base-Backbone interact. energy: -1.339 local terms energy: -776.276149 where: bonds (distance) C4'-P energy: -137.480 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -161.113 flat angles P-C4'-P energy: -103.157 tors. eta vs tors. theta energy: -240.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2439.978009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.978009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.978009 (E_RNA) where: Base-Base interactions energy: -1720.632 where: short stacking energy: -727.312 Base-Backbone interact. energy: -1.373 local terms energy: -717.973373 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -146.668 flat angles P-C4'-P energy: -101.430 tors. eta vs tors. theta energy: -226.068 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: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2378.477513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.477513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.477513 (E_RNA) where: Base-Base interactions energy: -1650.728 where: short stacking energy: -716.243 Base-Backbone interact. energy: -0.658 local terms energy: -727.091421 where: bonds (distance) C4'-P energy: -114.717 bonds (distance) P-C4' energy: -140.924 flat angles C4'-P-C4' energy: -144.431 flat angles P-C4'-P energy: -104.215 tors. eta vs tors. theta energy: -222.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2299.362948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.362948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.362948 (E_RNA) where: Base-Base interactions energy: -1583.871 where: short stacking energy: -668.457 Base-Backbone interact. energy: -4.378 local terms energy: -711.114173 where: bonds (distance) C4'-P energy: -130.500 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -148.790 flat angles P-C4'-P energy: -89.866 tors. eta vs tors. theta energy: -210.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2153.578727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.578727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.578727 (E_RNA) where: Base-Base interactions energy: -1484.490 where: short stacking energy: -639.042 Base-Backbone interact. energy: -1.717 local terms energy: -667.371996 where: bonds (distance) C4'-P energy: -114.808 bonds (distance) P-C4' energy: -129.131 flat angles C4'-P-C4' energy: -148.171 flat angles P-C4'-P energy: -79.550 tors. eta vs tors. theta energy: -195.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2004.964469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.964469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.964469 (E_RNA) where: Base-Base interactions energy: -1369.738 where: short stacking energy: -612.614 Base-Backbone interact. energy: -0.694 local terms energy: -634.532043 where: bonds (distance) C4'-P energy: -117.915 bonds (distance) P-C4' energy: -114.235 flat angles C4'-P-C4' energy: -142.603 flat angles P-C4'-P energy: -80.755 tors. eta vs tors. theta energy: -179.024 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: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1709.310190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.310190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.310190 (E_RNA) where: Base-Base interactions energy: -1167.169 where: short stacking energy: -485.385 Base-Backbone interact. energy: 1.718 local terms energy: -543.859672 where: bonds (distance) C4'-P energy: -107.639 bonds (distance) P-C4' energy: -114.922 flat angles C4'-P-C4' energy: -124.837 flat angles P-C4'-P energy: -90.964 tors. eta vs tors. theta energy: -105.498 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: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1545.634920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.634920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.634920 (E_RNA) where: Base-Base interactions energy: -1012.443 where: short stacking energy: -417.905 Base-Backbone interact. energy: -0.996 local terms energy: -532.195475 where: bonds (distance) C4'-P energy: -120.827 bonds (distance) P-C4' energy: -121.915 flat angles C4'-P-C4' energy: -139.193 flat angles P-C4'-P energy: -60.524 tors. eta vs tors. theta energy: -89.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1280.310665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.310665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.310665 (E_RNA) where: Base-Base interactions energy: -843.708 where: short stacking energy: -356.193 Base-Backbone interact. energy: -0.527 local terms energy: -436.075697 where: bonds (distance) C4'-P energy: -92.322 bonds (distance) P-C4' energy: -108.348 flat angles C4'-P-C4' energy: -106.887 flat angles P-C4'-P energy: -51.822 tors. eta vs tors. theta energy: -76.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1124.094707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.094707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.094707 (E_RNA) where: Base-Base interactions energy: -707.211 where: short stacking energy: -295.710 Base-Backbone interact. energy: -4.001 local terms energy: -412.882666 where: bonds (distance) C4'-P energy: -77.912 bonds (distance) P-C4' energy: -116.897 flat angles C4'-P-C4' energy: -96.559 flat angles P-C4'-P energy: -86.726 tors. eta vs tors. theta energy: -34.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2604.438689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.438689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.438689 (E_RNA) where: Base-Base interactions energy: -1822.464 where: short stacking energy: -749.523 Base-Backbone interact. energy: -1.737 local terms energy: -780.237933 where: bonds (distance) C4'-P energy: -126.770 bonds (distance) P-C4' energy: -138.293 flat angles C4'-P-C4' energy: -169.008 flat angles P-C4'-P energy: -111.291 tors. eta vs tors. theta energy: -234.876 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: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2430.274535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.274535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.274535 (E_RNA) where: Base-Base interactions energy: -1712.197 where: short stacking energy: -706.669 Base-Backbone interact. energy: -2.596 local terms energy: -715.480872 where: bonds (distance) C4'-P energy: -127.321 bonds (distance) P-C4' energy: -123.613 flat angles C4'-P-C4' energy: -147.978 flat angles P-C4'-P energy: -102.783 tors. eta vs tors. theta energy: -213.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2388.482833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.482833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.482833 (E_RNA) where: Base-Base interactions energy: -1644.739 where: short stacking energy: -747.902 Base-Backbone interact. energy: -2.761 local terms energy: -740.982392 where: bonds (distance) C4'-P energy: -124.944 bonds (distance) P-C4' energy: -117.007 flat angles C4'-P-C4' energy: -161.224 flat angles P-C4'-P energy: -110.916 tors. eta vs tors. theta energy: -226.891 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: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2289.251289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.251289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.251289 (E_RNA) where: Base-Base interactions energy: -1610.267 where: short stacking energy: -681.941 Base-Backbone interact. energy: -1.166 local terms energy: -677.818083 where: bonds (distance) C4'-P energy: -108.702 bonds (distance) P-C4' energy: -124.547 flat angles C4'-P-C4' energy: -151.363 flat angles P-C4'-P energy: -86.717 tors. eta vs tors. theta energy: -206.489 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: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2187.496998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.496998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.496998 (E_RNA) where: Base-Base interactions energy: -1522.241 where: short stacking energy: -643.659 Base-Backbone interact. energy: -2.386 local terms energy: -662.870140 where: bonds (distance) C4'-P energy: -119.876 bonds (distance) P-C4' energy: -120.387 flat angles C4'-P-C4' energy: -142.886 flat angles P-C4'-P energy: -91.713 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: 6, replica: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1956.699011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.699011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.699011 (E_RNA) where: Base-Base interactions energy: -1344.421 where: short stacking energy: -573.998 Base-Backbone interact. energy: -1.532 local terms energy: -610.746511 where: bonds (distance) C4'-P energy: -113.227 bonds (distance) P-C4' energy: -132.760 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -88.236 tors. eta vs tors. theta energy: -147.890 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: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1747.032997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.032997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.032997 (E_RNA) where: Base-Base interactions energy: -1195.461 where: short stacking energy: -525.130 Base-Backbone interact. energy: -0.150 local terms energy: -551.422849 where: bonds (distance) C4'-P energy: -104.440 bonds (distance) P-C4' energy: -113.656 flat angles C4'-P-C4' energy: -127.497 flat angles P-C4'-P energy: -69.560 tors. eta vs tors. theta energy: -136.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1541.555440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.555440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.555440 (E_RNA) where: Base-Base interactions energy: -1010.331 where: short stacking energy: -434.514 Base-Backbone interact. energy: -1.921 local terms energy: -529.303043 where: bonds (distance) C4'-P energy: -110.044 bonds (distance) P-C4' energy: -132.056 flat angles C4'-P-C4' energy: -116.280 flat angles P-C4'-P energy: -81.255 tors. eta vs tors. theta energy: -89.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1261.480571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.480571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.480571 (E_RNA) where: Base-Base interactions energy: -807.428 where: short stacking energy: -381.051 Base-Backbone interact. energy: -0.180 local terms energy: -453.872769 where: bonds (distance) C4'-P energy: -92.280 bonds (distance) P-C4' energy: -105.389 flat angles C4'-P-C4' energy: -100.402 flat angles P-C4'-P energy: -68.717 tors. eta vs tors. theta energy: -87.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1112.054198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.054198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.054198 (E_RNA) where: Base-Base interactions energy: -678.586 where: short stacking energy: -300.049 Base-Backbone interact. energy: 2.915 local terms energy: -436.382561 where: bonds (distance) C4'-P energy: -111.955 bonds (distance) P-C4' energy: -112.026 flat angles C4'-P-C4' energy: -106.296 flat angles P-C4'-P energy: -62.436 tors. eta vs tors. theta energy: -43.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2603.836237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.836237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.836237 (E_RNA) where: Base-Base interactions energy: -1844.158 where: short stacking energy: -770.593 Base-Backbone interact. energy: -0.801 local terms energy: -758.877675 where: bonds (distance) C4'-P energy: -119.877 bonds (distance) P-C4' energy: -140.814 flat angles C4'-P-C4' energy: -156.795 flat angles P-C4'-P energy: -101.142 tors. eta vs tors. theta energy: -240.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2415.735492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.735492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.735492 (E_RNA) where: Base-Base interactions energy: -1686.159 where: short stacking energy: -713.270 Base-Backbone interact. energy: -1.352 local terms energy: -728.223975 where: bonds (distance) C4'-P energy: -118.988 bonds (distance) P-C4' energy: -138.091 flat angles C4'-P-C4' energy: -153.082 flat angles P-C4'-P energy: -105.179 tors. eta vs tors. theta energy: -212.884 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: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2389.667460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.667460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.667460 (E_RNA) where: Base-Base interactions energy: -1651.976 where: short stacking energy: -719.408 Base-Backbone interact. energy: -0.992 local terms energy: -736.700193 where: bonds (distance) C4'-P energy: -108.918 bonds (distance) P-C4' energy: -133.180 flat angles C4'-P-C4' energy: -159.301 flat angles P-C4'-P energy: -103.478 tors. eta vs tors. theta energy: -231.823 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: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2290.045328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.045328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.045328 (E_RNA) where: Base-Base interactions energy: -1588.949 where: short stacking energy: -702.417 Base-Backbone interact. energy: -0.793 local terms energy: -700.303529 where: bonds (distance) C4'-P energy: -130.378 bonds (distance) P-C4' energy: -130.479 flat angles C4'-P-C4' energy: -141.834 flat angles P-C4'-P energy: -86.763 tors. eta vs tors. theta energy: -210.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2163.296891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.296891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.296891 (E_RNA) where: Base-Base interactions energy: -1504.858 where: short stacking energy: -630.856 Base-Backbone interact. energy: -2.025 local terms energy: -656.413590 where: bonds (distance) C4'-P energy: -120.476 bonds (distance) P-C4' energy: -119.638 flat angles C4'-P-C4' energy: -136.496 flat angles P-C4'-P energy: -87.050 tors. eta vs tors. theta energy: -192.754 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: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1974.337585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.337585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.337585 (E_RNA) where: Base-Base interactions energy: -1338.491 where: short stacking energy: -578.272 Base-Backbone interact. energy: -0.487 local terms energy: -635.359556 where: bonds (distance) C4'-P energy: -120.512 bonds (distance) P-C4' energy: -129.455 flat angles C4'-P-C4' energy: -130.245 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -166.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1779.532014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.532014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.532014 (E_RNA) where: Base-Base interactions energy: -1243.823 where: short stacking energy: -530.310 Base-Backbone interact. energy: -0.053 local terms energy: -535.655376 where: bonds (distance) C4'-P energy: -118.840 bonds (distance) P-C4' energy: -102.669 flat angles C4'-P-C4' energy: -114.409 flat angles P-C4'-P energy: -79.905 tors. eta vs tors. theta energy: -119.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1551.960543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.960543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.960543 (E_RNA) where: Base-Base interactions energy: -1031.303 where: short stacking energy: -471.780 Base-Backbone interact. energy: 0.699 local terms energy: -521.356055 where: bonds (distance) C4'-P energy: -92.909 bonds (distance) P-C4' energy: -112.101 flat angles C4'-P-C4' energy: -112.079 flat angles P-C4'-P energy: -88.957 tors. eta vs tors. theta energy: -115.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1358.221173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.221173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.221173 (E_RNA) where: Base-Base interactions energy: -908.594 where: short stacking energy: -422.835 Base-Backbone interact. energy: -1.501 local terms energy: -448.125994 where: bonds (distance) C4'-P energy: -90.088 bonds (distance) P-C4' energy: -109.676 flat angles C4'-P-C4' energy: -111.346 flat angles P-C4'-P energy: -64.247 tors. eta vs tors. theta energy: -72.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1154.857536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.857536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.857536 (E_RNA) where: Base-Base interactions energy: -717.959 where: short stacking energy: -324.466 Base-Backbone interact. energy: -0.146 local terms energy: -436.753005 where: bonds (distance) C4'-P energy: -101.739 bonds (distance) P-C4' energy: -110.014 flat angles C4'-P-C4' energy: -108.838 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -45.428 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: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2591.253858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.253858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.253858 (E_RNA) where: Base-Base interactions energy: -1836.089 where: short stacking energy: -753.333 Base-Backbone interact. energy: -1.255 local terms energy: -753.909750 where: bonds (distance) C4'-P energy: -126.664 bonds (distance) P-C4' energy: -132.671 flat angles C4'-P-C4' energy: -151.094 flat angles P-C4'-P energy: -109.624 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: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2442.565330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.565330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.565330 (E_RNA) where: Base-Base interactions energy: -1726.410 where: short stacking energy: -719.770 Base-Backbone interact. energy: -4.435 local terms energy: -711.720363 where: bonds (distance) C4'-P energy: -110.879 bonds (distance) P-C4' energy: -126.687 flat angles C4'-P-C4' energy: -152.829 flat angles P-C4'-P energy: -100.651 tors. eta vs tors. theta energy: -220.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2360.883134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.883134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.883134 (E_RNA) where: Base-Base interactions energy: -1624.784 where: short stacking energy: -708.316 Base-Backbone interact. energy: -1.629 local terms energy: -734.469383 where: bonds (distance) C4'-P energy: -128.983 bonds (distance) P-C4' energy: -127.797 flat angles C4'-P-C4' energy: -144.442 flat angles P-C4'-P energy: -108.213 tors. eta vs tors. theta energy: -225.034 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: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2237.307305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.307305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.307305 (E_RNA) where: Base-Base interactions energy: -1581.028 where: short stacking energy: -695.894 Base-Backbone interact. energy: -0.986 local terms energy: -655.293181 where: bonds (distance) C4'-P energy: -108.767 bonds (distance) P-C4' energy: -112.718 flat angles C4'-P-C4' energy: -140.700 flat angles P-C4'-P energy: -90.579 tors. eta vs tors. theta energy: -202.530 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: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2184.490757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.490757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.490757 (E_RNA) where: Base-Base interactions energy: -1509.820 where: short stacking energy: -647.273 Base-Backbone interact. energy: -0.991 local terms energy: -673.680375 where: bonds (distance) C4'-P energy: -123.034 bonds (distance) P-C4' energy: -129.310 flat angles C4'-P-C4' energy: -137.641 flat angles P-C4'-P energy: -92.740 tors. eta vs tors. theta energy: -190.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1994.016286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.016286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.016286 (E_RNA) where: Base-Base interactions energy: -1332.113 where: short stacking energy: -580.189 Base-Backbone interact. energy: -0.391 local terms energy: -661.512602 where: bonds (distance) C4'-P energy: -128.102 bonds (distance) P-C4' energy: -121.544 flat angles C4'-P-C4' energy: -141.711 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -170.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1704.997187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.997187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.997187 (E_RNA) where: Base-Base interactions energy: -1188.752 where: short stacking energy: -488.678 Base-Backbone interact. energy: -1.692 local terms energy: -514.553500 where: bonds (distance) C4'-P energy: -108.263 bonds (distance) P-C4' energy: -119.558 flat angles C4'-P-C4' energy: -92.831 flat angles P-C4'-P energy: -75.502 tors. eta vs tors. theta energy: -118.400 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: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1551.984908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.984908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.984908 (E_RNA) where: Base-Base interactions energy: -1046.273 where: short stacking energy: -424.605 Base-Backbone interact. energy: 1.143 local terms energy: -506.854401 where: bonds (distance) C4'-P energy: -93.595 bonds (distance) P-C4' energy: -120.890 flat angles C4'-P-C4' energy: -118.423 flat angles P-C4'-P energy: -76.930 tors. eta vs tors. theta energy: -97.016 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: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1361.640066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.640066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.640066 (E_RNA) where: Base-Base interactions energy: -904.104 where: short stacking energy: -409.321 Base-Backbone interact. energy: 0.189 local terms energy: -457.725120 where: bonds (distance) C4'-P energy: -107.804 bonds (distance) P-C4' energy: -97.467 flat angles C4'-P-C4' energy: -101.824 flat angles P-C4'-P energy: -68.811 tors. eta vs tors. theta energy: -81.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1128.303094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.303094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.303094 (E_RNA) where: Base-Base interactions energy: -704.079 where: short stacking energy: -306.158 Base-Backbone interact. energy: -1.759 local terms energy: -422.464486 where: bonds (distance) C4'-P energy: -102.372 bonds (distance) P-C4' energy: -105.857 flat angles C4'-P-C4' energy: -121.295 flat angles P-C4'-P energy: -42.150 tors. eta vs tors. theta energy: -50.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2583.261800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.261800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.261800 (E_RNA) where: Base-Base interactions energy: -1825.029 where: short stacking energy: -753.593 Base-Backbone interact. energy: -1.157 local terms energy: -757.075764 where: bonds (distance) C4'-P energy: -122.045 bonds (distance) P-C4' energy: -133.524 flat angles C4'-P-C4' energy: -147.512 flat angles P-C4'-P energy: -115.243 tors. eta vs tors. theta energy: -238.752 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: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2428.172034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.172034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.172034 (E_RNA) where: Base-Base interactions energy: -1708.896 where: short stacking energy: -705.880 Base-Backbone interact. energy: 0.620 local terms energy: -719.895764 where: bonds (distance) C4'-P energy: -134.436 bonds (distance) P-C4' energy: -124.025 flat angles C4'-P-C4' energy: -151.814 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -205.692 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: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2341.710780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.710780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.710780 (E_RNA) where: Base-Base interactions energy: -1637.354 where: short stacking energy: -716.742 Base-Backbone interact. energy: -1.990 local terms energy: -702.366624 where: bonds (distance) C4'-P energy: -125.076 bonds (distance) P-C4' energy: -124.135 flat angles C4'-P-C4' energy: -141.535 flat angles P-C4'-P energy: -91.389 tors. eta vs tors. theta energy: -220.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2307.939891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.939891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.939891 (E_RNA) where: Base-Base interactions energy: -1615.613 where: short stacking energy: -696.130 Base-Backbone interact. energy: -0.608 local terms energy: -691.719471 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -126.904 flat angles C4'-P-C4' energy: -151.036 flat angles P-C4'-P energy: -90.890 tors. eta vs tors. theta energy: -204.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2177.677164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.677164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.677164 (E_RNA) where: Base-Base interactions energy: -1518.952 where: short stacking energy: -661.922 Base-Backbone interact. energy: 1.947 local terms energy: -660.672188 where: bonds (distance) C4'-P energy: -107.235 bonds (distance) P-C4' energy: -112.981 flat angles C4'-P-C4' energy: -156.305 flat angles P-C4'-P energy: -86.080 tors. eta vs tors. theta energy: -198.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1985.975682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.975682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.975682 (E_RNA) where: Base-Base interactions energy: -1356.611 where: short stacking energy: -579.469 Base-Backbone interact. energy: -2.728 local terms energy: -626.636447 where: bonds (distance) C4'-P energy: -119.890 bonds (distance) P-C4' energy: -117.389 flat angles C4'-P-C4' energy: -134.144 flat angles P-C4'-P energy: -84.192 tors. eta vs tors. theta energy: -171.023 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: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1720.758270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.758270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.758270 (E_RNA) where: Base-Base interactions energy: -1170.383 where: short stacking energy: -503.495 Base-Backbone interact. energy: -1.287 local terms energy: -549.088169 where: bonds (distance) C4'-P energy: -108.617 bonds (distance) P-C4' energy: -111.249 flat angles C4'-P-C4' energy: -137.449 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -111.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1508.085285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.085285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.085285 (E_RNA) where: Base-Base interactions energy: -993.363 where: short stacking energy: -443.554 Base-Backbone interact. energy: -3.143 local terms energy: -511.579075 where: bonds (distance) C4'-P energy: -98.511 bonds (distance) P-C4' energy: -105.310 flat angles C4'-P-C4' energy: -133.092 flat angles P-C4'-P energy: -70.118 tors. eta vs tors. theta energy: -104.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1382.746379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.746379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.746379 (E_RNA) where: Base-Base interactions energy: -905.012 where: short stacking energy: -414.815 Base-Backbone interact. energy: 2.009 local terms energy: -479.743548 where: bonds (distance) C4'-P energy: -112.813 bonds (distance) P-C4' energy: -102.277 flat angles C4'-P-C4' energy: -115.691 flat angles P-C4'-P energy: -77.836 tors. eta vs tors. theta energy: -71.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1097.102922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.102922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.102922 (E_RNA) where: Base-Base interactions energy: -728.240 where: short stacking energy: -322.137 Base-Backbone interact. energy: 1.076 local terms energy: -369.938545 where: bonds (distance) C4'-P energy: -84.359 bonds (distance) P-C4' energy: -95.287 flat angles C4'-P-C4' energy: -100.479 flat angles P-C4'-P energy: -60.694 tors. eta vs tors. theta energy: -29.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2593.875413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.875413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.875413 (E_RNA) where: Base-Base interactions energy: -1829.783 where: short stacking energy: -772.651 Base-Backbone interact. energy: 0.533 local terms energy: -764.624821 where: bonds (distance) C4'-P energy: -135.712 bonds (distance) P-C4' energy: -134.123 flat angles C4'-P-C4' energy: -148.705 flat angles P-C4'-P energy: -115.225 tors. eta vs tors. theta energy: -230.861 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: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2461.157195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.157195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.157195 (E_RNA) where: Base-Base interactions energy: -1732.760 where: short stacking energy: -755.098 Base-Backbone interact. energy: -3.489 local terms energy: -724.908330 where: bonds (distance) C4'-P energy: -130.991 bonds (distance) P-C4' energy: -117.820 flat angles C4'-P-C4' energy: -144.148 flat angles P-C4'-P energy: -106.766 tors. eta vs tors. theta energy: -225.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2338.008169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.008169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.008169 (E_RNA) where: Base-Base interactions energy: -1621.949 where: short stacking energy: -692.615 Base-Backbone interact. energy: 1.003 local terms energy: -717.062185 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -127.810 flat angles C4'-P-C4' energy: -150.055 flat angles P-C4'-P energy: -100.262 tors. eta vs tors. theta energy: -213.630 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: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2249.528011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.528011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.528011 (E_RNA) where: Base-Base interactions energy: -1562.162 where: short stacking energy: -690.113 Base-Backbone interact. energy: -0.765 local terms energy: -686.601233 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -132.611 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -93.775 tors. eta vs tors. theta energy: -209.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2141.023276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.023276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.023276 (E_RNA) where: Base-Base interactions energy: -1488.761 where: short stacking energy: -624.828 Base-Backbone interact. energy: -4.589 local terms energy: -647.673698 where: bonds (distance) C4'-P energy: -107.420 bonds (distance) P-C4' energy: -119.615 flat angles C4'-P-C4' energy: -147.153 flat angles P-C4'-P energy: -88.915 tors. eta vs tors. theta energy: -184.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1896.264432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.264432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.264432 (E_RNA) where: Base-Base interactions energy: -1289.642 where: short stacking energy: -551.775 Base-Backbone interact. energy: -1.378 local terms energy: -605.244469 where: bonds (distance) C4'-P energy: -125.239 bonds (distance) P-C4' energy: -113.541 flat angles C4'-P-C4' energy: -121.180 flat angles P-C4'-P energy: -83.354 tors. eta vs tors. theta energy: -161.929 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: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1704.278607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.278607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.278607 (E_RNA) where: Base-Base interactions energy: -1154.758 where: short stacking energy: -482.277 Base-Backbone interact. energy: -1.576 local terms energy: -547.944774 where: bonds (distance) C4'-P energy: -125.050 bonds (distance) P-C4' energy: -107.818 flat angles C4'-P-C4' energy: -118.552 flat angles P-C4'-P energy: -79.369 tors. eta vs tors. theta energy: -117.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1516.407014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.407014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.407014 (E_RNA) where: Base-Base interactions energy: -995.000 where: short stacking energy: -459.641 Base-Backbone interact. energy: -2.062 local terms energy: -519.344430 where: bonds (distance) C4'-P energy: -104.851 bonds (distance) P-C4' energy: -113.804 flat angles C4'-P-C4' energy: -122.832 flat angles P-C4'-P energy: -75.053 tors. eta vs tors. theta energy: -102.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1318.039490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.039490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.039490 (E_RNA) where: Base-Base interactions energy: -842.023 where: short stacking energy: -357.558 Base-Backbone interact. energy: -1.408 local terms energy: -474.608188 where: bonds (distance) C4'-P energy: -105.531 bonds (distance) P-C4' energy: -111.837 flat angles C4'-P-C4' energy: -115.007 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -67.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1076.092264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.092264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.092264 (E_RNA) where: Base-Base interactions energy: -676.295 where: short stacking energy: -282.930 Base-Backbone interact. energy: 1.330 local terms energy: -401.127724 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -105.075 flat angles C4'-P-C4' energy: -103.788 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: -18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2596.152792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.152792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.152792 (E_RNA) where: Base-Base interactions energy: -1829.543 where: short stacking energy: -783.259 Base-Backbone interact. energy: -1.723 local terms energy: -764.887294 where: bonds (distance) C4'-P energy: -132.434 bonds (distance) P-C4' energy: -139.233 flat angles C4'-P-C4' energy: -148.418 flat angles P-C4'-P energy: -101.692 tors. eta vs tors. theta energy: -243.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2403.650164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.650164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.650164 (E_RNA) where: Base-Base interactions energy: -1659.751 where: short stacking energy: -698.907 Base-Backbone interact. energy: -0.378 local terms energy: -743.521164 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -139.629 flat angles C4'-P-C4' energy: -156.097 flat angles P-C4'-P energy: -106.222 tors. eta vs tors. theta energy: -218.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2376.707317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.707317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.707317 (E_RNA) where: Base-Base interactions energy: -1654.901 where: short stacking energy: -728.033 Base-Backbone interact. energy: 0.427 local terms energy: -722.233220 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -126.492 flat angles C4'-P-C4' energy: -156.367 flat angles P-C4'-P energy: -89.610 tors. eta vs tors. theta energy: -229.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2249.753285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.753285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.753285 (E_RNA) where: Base-Base interactions energy: -1579.375 where: short stacking energy: -693.938 Base-Backbone interact. energy: -1.326 local terms energy: -669.051853 where: bonds (distance) C4'-P energy: -103.848 bonds (distance) P-C4' energy: -120.723 flat angles C4'-P-C4' energy: -151.328 flat angles P-C4'-P energy: -75.717 tors. eta vs tors. theta energy: -217.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2211.624824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.624824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.624824 (E_RNA) where: Base-Base interactions energy: -1556.183 where: short stacking energy: -662.405 Base-Backbone interact. energy: -2.159 local terms energy: -653.283460 where: bonds (distance) C4'-P energy: -113.355 bonds (distance) P-C4' energy: -120.583 flat angles C4'-P-C4' energy: -138.301 flat angles P-C4'-P energy: -86.846 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: 6, replica: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1935.709949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.709949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.709949 (E_RNA) where: Base-Base interactions energy: -1332.083 where: short stacking energy: -549.987 Base-Backbone interact. energy: -0.732 local terms energy: -602.895719 where: bonds (distance) C4'-P energy: -116.719 bonds (distance) P-C4' energy: -117.734 flat angles C4'-P-C4' energy: -132.220 flat angles P-C4'-P energy: -79.176 tors. eta vs tors. theta energy: -157.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1811.093936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.093936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.093936 (E_RNA) where: Base-Base interactions energy: -1255.515 where: short stacking energy: -527.573 Base-Backbone interact. energy: 6.876 local terms energy: -562.454317 where: bonds (distance) C4'-P energy: -101.777 bonds (distance) P-C4' energy: -113.409 flat angles C4'-P-C4' energy: -129.873 flat angles P-C4'-P energy: -83.082 tors. eta vs tors. theta energy: -134.313 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1553.658353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.658353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.658353 (E_RNA) where: Base-Base interactions energy: -1037.259 where: short stacking energy: -419.710 Base-Backbone interact. energy: 0.656 local terms energy: -517.055736 where: bonds (distance) C4'-P energy: -115.630 bonds (distance) P-C4' energy: -123.998 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -53.003 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: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1304.937649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.937649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.937649 (E_RNA) where: Base-Base interactions energy: -828.444 where: short stacking energy: -385.196 Base-Backbone interact. energy: 1.451 local terms energy: -477.945208 where: bonds (distance) C4'-P energy: -102.542 bonds (distance) P-C4' energy: -115.162 flat angles C4'-P-C4' energy: -125.429 flat angles P-C4'-P energy: -70.954 tors. eta vs tors. theta energy: -63.859 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: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -985.023534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.023534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.023534 (E_RNA) where: Base-Base interactions energy: -576.073 where: short stacking energy: -290.264 Base-Backbone interact. energy: -2.295 local terms energy: -406.655758 where: bonds (distance) C4'-P energy: -94.738 bonds (distance) P-C4' energy: -109.763 flat angles C4'-P-C4' energy: -103.021 flat angles P-C4'-P energy: -61.918 tors. eta vs tors. theta energy: -37.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2613.514607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.514607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.514607 (E_RNA) where: Base-Base interactions energy: -1838.379 where: short stacking energy: -775.970 Base-Backbone interact. energy: -1.460 local terms energy: -773.675533 where: bonds (distance) C4'-P energy: -124.140 bonds (distance) P-C4' energy: -146.993 flat angles C4'-P-C4' energy: -160.203 flat angles P-C4'-P energy: -107.123 tors. eta vs tors. theta energy: -235.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2446.597353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.597353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.597353 (E_RNA) where: Base-Base interactions energy: -1712.440 where: short stacking energy: -720.999 Base-Backbone interact. energy: 0.874 local terms energy: -735.031217 where: bonds (distance) C4'-P energy: -124.332 bonds (distance) P-C4' energy: -142.053 flat angles C4'-P-C4' energy: -146.723 flat angles P-C4'-P energy: -111.023 tors. eta vs tors. theta energy: -210.900 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: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2332.531733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.531733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.531733 (E_RNA) where: Base-Base interactions energy: -1621.514 where: short stacking energy: -703.486 Base-Backbone interact. energy: -1.509 local terms energy: -709.508269 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -122.720 flat angles C4'-P-C4' energy: -149.243 flat angles P-C4'-P energy: -102.885 tors. eta vs tors. theta energy: -213.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2271.089178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.089178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.089178 (E_RNA) where: Base-Base interactions energy: -1558.594 where: short stacking energy: -674.808 Base-Backbone interact. energy: -1.192 local terms energy: -711.303121 where: bonds (distance) C4'-P energy: -118.118 bonds (distance) P-C4' energy: -134.219 flat angles C4'-P-C4' energy: -157.122 flat angles P-C4'-P energy: -92.041 tors. eta vs tors. theta energy: -209.803 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2173.634967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.634967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.634967 (E_RNA) where: Base-Base interactions energy: -1494.168 where: short stacking energy: -660.545 Base-Backbone interact. energy: -1.488 local terms energy: -677.978351 where: bonds (distance) C4'-P energy: -122.091 bonds (distance) P-C4' energy: -131.155 flat angles C4'-P-C4' energy: -141.212 flat angles P-C4'-P energy: -88.852 tors. eta vs tors. theta energy: -194.668 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: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1948.193268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.193268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.193268 (E_RNA) where: Base-Base interactions energy: -1318.159 where: short stacking energy: -565.202 Base-Backbone interact. energy: 0.328 local terms energy: -630.362232 where: bonds (distance) C4'-P energy: -112.379 bonds (distance) P-C4' energy: -138.920 flat angles C4'-P-C4' energy: -134.372 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -154.302 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: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1811.513079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.513079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.513079 (E_RNA) where: Base-Base interactions energy: -1239.222 where: short stacking energy: -504.980 Base-Backbone interact. energy: 1.341 local terms energy: -573.632064 where: bonds (distance) C4'-P energy: -100.540 bonds (distance) P-C4' energy: -115.299 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -87.551 tors. eta vs tors. theta energy: -139.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1505.018543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.018543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.018543 (E_RNA) where: Base-Base interactions energy: -1012.464 where: short stacking energy: -426.694 Base-Backbone interact. energy: -1.179 local terms energy: -491.375624 where: bonds (distance) C4'-P energy: -116.544 bonds (distance) P-C4' energy: -93.926 flat angles C4'-P-C4' energy: -121.041 flat angles P-C4'-P energy: -69.552 tors. eta vs tors. theta energy: -90.312 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: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1303.860191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.860191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.860191 (E_RNA) where: Base-Base interactions energy: -823.184 where: short stacking energy: -376.570 Base-Backbone interact. energy: -2.348 local terms energy: -478.327833 where: bonds (distance) C4'-P energy: -118.352 bonds (distance) P-C4' energy: -116.044 flat angles C4'-P-C4' energy: -95.218 flat angles P-C4'-P energy: -76.369 tors. eta vs tors. theta energy: -72.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -949.990125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.990125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.990125 (E_RNA) where: Base-Base interactions energy: -563.106 where: short stacking energy: -279.014 Base-Backbone interact. energy: 3.826 local terms energy: -390.709557 where: bonds (distance) C4'-P energy: -92.949 bonds (distance) P-C4' energy: -107.599 flat angles C4'-P-C4' energy: -90.128 flat angles P-C4'-P energy: -70.567 tors. eta vs tors. theta energy: -29.466 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: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2605.120960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.120960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.120960 (E_RNA) where: Base-Base interactions energy: -1827.250 where: short stacking energy: -770.879 Base-Backbone interact. energy: -1.132 local terms energy: -776.738306 where: bonds (distance) C4'-P energy: -131.915 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -163.651 flat angles P-C4'-P energy: -115.910 tors. eta vs tors. theta energy: -241.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2416.598258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.598258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.598258 (E_RNA) where: Base-Base interactions energy: -1690.099 where: short stacking energy: -704.248 Base-Backbone interact. energy: -0.801 local terms energy: -725.698098 where: bonds (distance) C4'-P energy: -118.456 bonds (distance) P-C4' energy: -145.349 flat angles C4'-P-C4' energy: -146.801 flat angles P-C4'-P energy: -114.891 tors. eta vs tors. theta energy: -200.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2333.387394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.387394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.387394 (E_RNA) where: Base-Base interactions energy: -1602.185 where: short stacking energy: -684.796 Base-Backbone interact. energy: -2.834 local terms energy: -728.368863 where: bonds (distance) C4'-P energy: -126.079 bonds (distance) P-C4' energy: -131.636 flat angles C4'-P-C4' energy: -151.187 flat angles P-C4'-P energy: -110.855 tors. eta vs tors. theta energy: -208.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2278.169672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.169672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.169672 (E_RNA) where: Base-Base interactions energy: -1568.954 where: short stacking energy: -689.506 Base-Backbone interact. energy: -0.683 local terms energy: -708.533484 where: bonds (distance) C4'-P energy: -111.843 bonds (distance) P-C4' energy: -133.883 flat angles C4'-P-C4' energy: -144.404 flat angles P-C4'-P energy: -98.232 tors. eta vs tors. theta energy: -220.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2177.539105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.539105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.539105 (E_RNA) where: Base-Base interactions energy: -1529.846 where: short stacking energy: -633.855 Base-Backbone interact. energy: 7.607 local terms energy: -655.300157 where: bonds (distance) C4'-P energy: -136.052 bonds (distance) P-C4' energy: -98.257 flat angles C4'-P-C4' energy: -151.571 flat angles P-C4'-P energy: -85.272 tors. eta vs tors. theta energy: -184.149 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: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1969.177530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.177530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.177530 (E_RNA) where: Base-Base interactions energy: -1375.625 where: short stacking energy: -562.300 Base-Backbone interact. energy: 0.461 local terms energy: -594.013736 where: bonds (distance) C4'-P energy: -112.933 bonds (distance) P-C4' energy: -118.302 flat angles C4'-P-C4' energy: -126.658 flat angles P-C4'-P energy: -76.435 tors. eta vs tors. theta energy: -159.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1780.648443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.648443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.648443 (E_RNA) where: Base-Base interactions energy: -1227.214 where: short stacking energy: -530.094 Base-Backbone interact. energy: -0.865 local terms energy: -552.568691 where: bonds (distance) C4'-P energy: -107.218 bonds (distance) P-C4' energy: -103.557 flat angles C4'-P-C4' energy: -118.565 flat angles P-C4'-P energy: -86.730 tors. eta vs tors. theta energy: -136.499 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: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1476.136194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.136194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.136194 (E_RNA) where: Base-Base interactions energy: -951.867 where: short stacking energy: -407.658 Base-Backbone interact. energy: 0.792 local terms energy: -525.061584 where: bonds (distance) C4'-P energy: -108.944 bonds (distance) P-C4' energy: -132.035 flat angles C4'-P-C4' energy: -109.916 flat angles P-C4'-P energy: -74.032 tors. eta vs tors. theta energy: -100.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1355.802937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.802937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.802937 (E_RNA) where: Base-Base interactions energy: -864.227 where: short stacking energy: -369.613 Base-Backbone interact. energy: 0.700 local terms energy: -492.276023 where: bonds (distance) C4'-P energy: -120.689 bonds (distance) P-C4' energy: -112.663 flat angles C4'-P-C4' energy: -109.966 flat angles P-C4'-P energy: -72.377 tors. eta vs tors. theta energy: -76.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -958.345022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.345022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.345022 (E_RNA) where: Base-Base interactions energy: -541.197 where: short stacking energy: -259.170 Base-Backbone interact. energy: -0.944 local terms energy: -416.204269 where: bonds (distance) C4'-P energy: -100.988 bonds (distance) P-C4' energy: -124.535 flat angles C4'-P-C4' energy: -111.496 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -23.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2607.732705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.732705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.732705 (E_RNA) where: Base-Base interactions energy: -1842.520 where: short stacking energy: -796.633 Base-Backbone interact. energy: -0.968 local terms energy: -764.244616 where: bonds (distance) C4'-P energy: -134.420 bonds (distance) P-C4' energy: -128.192 flat angles C4'-P-C4' energy: -164.827 flat angles P-C4'-P energy: -96.082 tors. eta vs tors. theta energy: -240.724 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: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2412.009214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.009214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.009214 (E_RNA) where: Base-Base interactions energy: -1703.850 where: short stacking energy: -709.444 Base-Backbone interact. energy: 1.066 local terms energy: -709.225894 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -132.944 flat angles C4'-P-C4' energy: -154.982 flat angles P-C4'-P energy: -96.775 tors. eta vs tors. theta energy: -204.998 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: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2327.445899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.445899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.445899 (E_RNA) where: Base-Base interactions energy: -1606.037 where: short stacking energy: -680.200 Base-Backbone interact. energy: -4.210 local terms energy: -717.198901 where: bonds (distance) C4'-P energy: -121.935 bonds (distance) P-C4' energy: -135.042 flat angles C4'-P-C4' energy: -146.892 flat angles P-C4'-P energy: -99.069 tors. eta vs tors. theta energy: -214.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2277.353536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.353536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.353536 (E_RNA) where: Base-Base interactions energy: -1568.706 where: short stacking energy: -672.351 Base-Backbone interact. energy: -2.213 local terms energy: -706.434489 where: bonds (distance) C4'-P energy: -124.273 bonds (distance) P-C4' energy: -106.882 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -109.872 tors. eta vs tors. theta energy: -219.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2166.299322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.299322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.299322 (E_RNA) where: Base-Base interactions energy: -1528.779 where: short stacking energy: -650.897 Base-Backbone interact. energy: -2.400 local terms energy: -635.120969 where: bonds (distance) C4'-P energy: -103.950 bonds (distance) P-C4' energy: -122.676 flat angles C4'-P-C4' energy: -131.333 flat angles P-C4'-P energy: -87.278 tors. eta vs tors. theta energy: -189.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1983.396172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.396172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.396172 (E_RNA) where: Base-Base interactions energy: -1349.753 where: short stacking energy: -569.571 Base-Backbone interact. energy: 3.852 local terms energy: -637.495874 where: bonds (distance) C4'-P energy: -111.655 bonds (distance) P-C4' energy: -100.884 flat angles C4'-P-C4' energy: -134.896 flat angles P-C4'-P energy: -99.200 tors. eta vs tors. theta energy: -190.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1856.646023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.646023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.646023 (E_RNA) where: Base-Base interactions energy: -1286.808 where: short stacking energy: -522.103 Base-Backbone interact. energy: 0.798 local terms energy: -570.636416 where: bonds (distance) C4'-P energy: -108.213 bonds (distance) P-C4' energy: -120.933 flat angles C4'-P-C4' energy: -125.702 flat angles P-C4'-P energy: -71.123 tors. eta vs tors. theta energy: -144.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1607.648187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.648187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.648187 (E_RNA) where: Base-Base interactions energy: -1076.324 where: short stacking energy: -461.074 Base-Backbone interact. energy: -1.828 local terms energy: -529.496708 where: bonds (distance) C4'-P energy: -125.286 bonds (distance) P-C4' energy: -99.284 flat angles C4'-P-C4' energy: -123.830 flat angles P-C4'-P energy: -71.676 tors. eta vs tors. theta energy: -109.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1400.079751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.079751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.079751 (E_RNA) where: Base-Base interactions energy: -911.600 where: short stacking energy: -416.044 Base-Backbone interact. energy: -3.007 local terms energy: -485.472815 where: bonds (distance) C4'-P energy: -91.645 bonds (distance) P-C4' energy: -119.831 flat angles C4'-P-C4' energy: -118.357 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -88.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -911.479543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.479543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.479543 (E_RNA) where: Base-Base interactions energy: -504.532 where: short stacking energy: -276.259 Base-Backbone interact. energy: -0.369 local terms energy: -406.578060 where: bonds (distance) C4'-P energy: -97.223 bonds (distance) P-C4' energy: -114.255 flat angles C4'-P-C4' energy: -103.312 flat angles P-C4'-P energy: -65.812 tors. eta vs tors. theta energy: -25.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2597.890790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.890790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.890790 (E_RNA) where: Base-Base interactions energy: -1812.288 where: short stacking energy: -778.120 Base-Backbone interact. energy: -0.736 local terms energy: -784.866768 where: bonds (distance) C4'-P energy: -143.712 bonds (distance) P-C4' energy: -124.689 flat angles C4'-P-C4' energy: -163.178 flat angles P-C4'-P energy: -118.264 tors. eta vs tors. theta energy: -235.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2467.281784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.281784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.281784 (E_RNA) where: Base-Base interactions energy: -1738.391 where: short stacking energy: -735.333 Base-Backbone interact. energy: -1.403 local terms energy: -727.487614 where: bonds (distance) C4'-P energy: -132.524 bonds (distance) P-C4' energy: -140.264 flat angles C4'-P-C4' energy: -138.855 flat angles P-C4'-P energy: -91.640 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: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2355.136606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.136606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.136606 (E_RNA) where: Base-Base interactions energy: -1641.628 where: short stacking energy: -710.706 Base-Backbone interact. energy: -3.165 local terms energy: -710.343016 where: bonds (distance) C4'-P energy: -129.405 bonds (distance) P-C4' energy: -122.709 flat angles C4'-P-C4' energy: -154.346 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -214.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2247.977594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.977594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.977594 (E_RNA) where: Base-Base interactions energy: -1558.524 where: short stacking energy: -662.871 Base-Backbone interact. energy: -1.266 local terms energy: -688.187910 where: bonds (distance) C4'-P energy: -122.617 bonds (distance) P-C4' energy: -127.493 flat angles C4'-P-C4' energy: -136.551 flat angles P-C4'-P energy: -88.574 tors. eta vs tors. theta energy: -212.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2228.499536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.499536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.499536 (E_RNA) where: Base-Base interactions energy: -1551.343 where: short stacking energy: -616.563 Base-Backbone interact. energy: -3.504 local terms energy: -673.652539 where: bonds (distance) C4'-P energy: -123.197 bonds (distance) P-C4' energy: -122.663 flat angles C4'-P-C4' energy: -143.463 flat angles P-C4'-P energy: -95.689 tors. eta vs tors. theta energy: -188.641 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: 6, replica: 4 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1890.561738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.561738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.561738 (E_RNA) where: Base-Base interactions energy: -1309.976 where: short stacking energy: -564.218 Base-Backbone interact. energy: 3.898 local terms energy: -584.483487 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -129.877 flat angles C4'-P-C4' energy: -129.612 flat angles P-C4'-P energy: -52.001 tors. eta vs tors. theta energy: -155.743 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: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1834.035480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.035480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.035480 (E_RNA) where: Base-Base interactions energy: -1261.746 where: short stacking energy: -518.135 Base-Backbone interact. energy: 0.125 local terms energy: -572.414589 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -125.407 flat angles C4'-P-C4' energy: -124.100 flat angles P-C4'-P energy: -93.838 tors. eta vs tors. theta energy: -118.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1651.546914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.546914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.546914 (E_RNA) where: Base-Base interactions energy: -1120.362 where: short stacking energy: -484.547 Base-Backbone interact. energy: -1.065 local terms energy: -530.120016 where: bonds (distance) C4'-P energy: -99.120 bonds (distance) P-C4' energy: -112.137 flat angles C4'-P-C4' energy: -124.738 flat angles P-C4'-P energy: -72.040 tors. eta vs tors. theta energy: -122.085 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: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1374.716471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.716471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.716471 (E_RNA) where: Base-Base interactions energy: -858.992 where: short stacking energy: -398.690 Base-Backbone interact. energy: -1.989 local terms energy: -513.734799 where: bonds (distance) C4'-P energy: -125.802 bonds (distance) P-C4' energy: -131.664 flat angles C4'-P-C4' energy: -109.378 flat angles P-C4'-P energy: -62.028 tors. eta vs tors. theta energy: -84.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -891.014429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.014429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.014429 (E_RNA) where: Base-Base interactions energy: -512.599 where: short stacking energy: -286.807 Base-Backbone interact. energy: 7.072 local terms energy: -385.487618 where: bonds (distance) C4'-P energy: -102.923 bonds (distance) P-C4' energy: -128.521 flat angles C4'-P-C4' energy: -91.766 flat angles P-C4'-P energy: -42.187 tors. eta vs tors. theta energy: -20.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2618.343958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.343958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.343958 (E_RNA) where: Base-Base interactions energy: -1819.561 where: short stacking energy: -755.294 Base-Backbone interact. energy: -0.351 local terms energy: -798.431407 where: bonds (distance) C4'-P energy: -139.600 bonds (distance) P-C4' energy: -139.943 flat angles C4'-P-C4' energy: -168.168 flat angles P-C4'-P energy: -116.099 tors. eta vs tors. theta energy: -234.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2432.349130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.349130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.349130 (E_RNA) where: Base-Base interactions energy: -1718.863 where: short stacking energy: -719.055 Base-Backbone interact. energy: -2.091 local terms energy: -711.395932 where: bonds (distance) C4'-P energy: -113.829 bonds (distance) P-C4' energy: -144.830 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -104.005 tors. eta vs tors. theta energy: -200.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2337.738338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.738338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.738338 (E_RNA) where: Base-Base interactions energy: -1585.153 where: short stacking energy: -704.006 Base-Backbone interact. energy: -1.050 local terms energy: -751.534719 where: bonds (distance) C4'-P energy: -139.075 bonds (distance) P-C4' energy: -132.268 flat angles C4'-P-C4' energy: -151.857 flat angles P-C4'-P energy: -107.805 tors. eta vs tors. theta energy: -220.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2248.841460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.841460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.841460 (E_RNA) where: Base-Base interactions energy: -1567.206 where: short stacking energy: -646.522 Base-Backbone interact. energy: -4.313 local terms energy: -677.322442 where: bonds (distance) C4'-P energy: -122.234 bonds (distance) P-C4' energy: -116.618 flat angles C4'-P-C4' energy: -142.743 flat angles P-C4'-P energy: -101.606 tors. eta vs tors. theta energy: -194.122 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: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2220.835304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.835304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.835304 (E_RNA) where: Base-Base interactions energy: -1546.880 where: short stacking energy: -635.365 Base-Backbone interact. energy: 2.494 local terms energy: -676.449281 where: bonds (distance) C4'-P energy: -99.847 bonds (distance) P-C4' energy: -139.002 flat angles C4'-P-C4' energy: -142.437 flat angles P-C4'-P energy: -99.897 tors. eta vs tors. theta energy: -195.267 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: 89 Temperature: 1.150000 Total energy: -1886.382405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.382405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.382405 (E_RNA) where: Base-Base interactions energy: -1313.582 where: short stacking energy: -568.277 Base-Backbone interact. energy: -0.590 local terms energy: -572.210803 where: bonds (distance) C4'-P energy: -108.857 bonds (distance) P-C4' energy: -119.116 flat angles C4'-P-C4' energy: -125.038 flat angles P-C4'-P energy: -71.642 tors. eta vs tors. theta energy: -147.558 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: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1844.198251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.198251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.198251 (E_RNA) where: Base-Base interactions energy: -1288.983 where: short stacking energy: -534.689 Base-Backbone interact. energy: -3.301 local terms energy: -551.914528 where: bonds (distance) C4'-P energy: -108.058 bonds (distance) P-C4' energy: -121.817 flat angles C4'-P-C4' energy: -127.131 flat angles P-C4'-P energy: -79.516 tors. eta vs tors. theta energy: -115.392 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: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1630.881149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.881149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.881149 (E_RNA) where: Base-Base interactions energy: -1112.008 where: short stacking energy: -476.292 Base-Backbone interact. energy: -1.301 local terms energy: -517.572364 where: bonds (distance) C4'-P energy: -109.155 bonds (distance) P-C4' energy: -119.509 flat angles C4'-P-C4' energy: -109.276 flat angles P-C4'-P energy: -77.223 tors. eta vs tors. theta energy: -102.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1351.133826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.133826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.133826 (E_RNA) where: Base-Base interactions energy: -862.457 where: short stacking energy: -390.354 Base-Backbone interact. energy: 1.722 local terms energy: -490.399399 where: bonds (distance) C4'-P energy: -110.824 bonds (distance) P-C4' energy: -122.181 flat angles C4'-P-C4' energy: -112.148 flat angles P-C4'-P energy: -59.067 tors. eta vs tors. theta energy: -86.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -848.781450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.781450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.781450 (E_RNA) where: Base-Base interactions energy: -444.448 where: short stacking energy: -243.666 Base-Backbone interact. energy: 2.414 local terms energy: -406.747357 where: bonds (distance) C4'-P energy: -118.638 bonds (distance) P-C4' energy: -114.931 flat angles C4'-P-C4' energy: -114.430 flat angles P-C4'-P energy: -34.236 tors. eta vs tors. theta energy: -24.512 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: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2626.911222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.911222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.911222 (E_RNA) where: Base-Base interactions energy: -1827.418 where: short stacking energy: -789.546 Base-Backbone interact. energy: -0.911 local terms energy: -798.582127 where: bonds (distance) C4'-P energy: -135.709 bonds (distance) P-C4' energy: -135.818 flat angles C4'-P-C4' energy: -165.255 flat angles P-C4'-P energy: -116.483 tors. eta vs tors. theta energy: -245.318 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: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2457.308924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.308924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.308924 (E_RNA) where: Base-Base interactions energy: -1754.623 where: short stacking energy: -728.617 Base-Backbone interact. energy: -1.854 local terms energy: -700.832566 where: bonds (distance) C4'-P energy: -104.435 bonds (distance) P-C4' energy: -124.118 flat angles C4'-P-C4' energy: -146.048 flat angles P-C4'-P energy: -113.434 tors. eta vs tors. theta energy: -212.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2362.465524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.465524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.465524 (E_RNA) where: Base-Base interactions energy: -1657.755 where: short stacking energy: -729.160 Base-Backbone interact. energy: -2.393 local terms energy: -702.317932 where: bonds (distance) C4'-P energy: -118.463 bonds (distance) P-C4' energy: -115.098 flat angles C4'-P-C4' energy: -142.561 flat angles P-C4'-P energy: -100.971 tors. eta vs tors. theta energy: -225.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2251.705362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.705362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.705362 (E_RNA) where: Base-Base interactions energy: -1593.896 where: short stacking energy: -692.875 Base-Backbone interact. energy: -2.428 local terms energy: -655.381699 where: bonds (distance) C4'-P energy: -113.335 bonds (distance) P-C4' energy: -122.019 flat angles C4'-P-C4' energy: -128.704 flat angles P-C4'-P energy: -87.536 tors. eta vs tors. theta energy: -203.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2158.097920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.097920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.097920 (E_RNA) where: Base-Base interactions energy: -1510.537 where: short stacking energy: -652.213 Base-Backbone interact. energy: -3.327 local terms energy: -644.234467 where: bonds (distance) C4'-P energy: -108.249 bonds (distance) P-C4' energy: -122.016 flat angles C4'-P-C4' energy: -131.497 flat angles P-C4'-P energy: -96.196 tors. eta vs tors. theta energy: -186.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1926.039061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.039061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.039061 (E_RNA) where: Base-Base interactions energy: -1314.455 where: short stacking energy: -559.311 Base-Backbone interact. energy: 1.329 local terms energy: -612.913215 where: bonds (distance) C4'-P energy: -106.278 bonds (distance) P-C4' energy: -125.823 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -88.743 tors. eta vs tors. theta energy: -167.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1821.067932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.067932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.067932 (E_RNA) where: Base-Base interactions energy: -1257.819 where: short stacking energy: -514.505 Base-Backbone interact. energy: 4.320 local terms energy: -567.568899 where: bonds (distance) C4'-P energy: -124.014 bonds (distance) P-C4' energy: -115.848 flat angles C4'-P-C4' energy: -119.922 flat angles P-C4'-P energy: -70.249 tors. eta vs tors. theta energy: -137.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1696.312144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.312144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.312144 (E_RNA) where: Base-Base interactions energy: -1147.700 where: short stacking energy: -491.293 Base-Backbone interact. energy: -0.306 local terms energy: -548.306366 where: bonds (distance) C4'-P energy: -109.079 bonds (distance) P-C4' energy: -111.758 flat angles C4'-P-C4' energy: -113.956 flat angles P-C4'-P energy: -75.886 tors. eta vs tors. theta energy: -137.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1340.189856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.189856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.189856 (E_RNA) where: Base-Base interactions energy: -866.253 where: short stacking energy: -393.348 Base-Backbone interact. energy: -4.153 local terms energy: -469.783420 where: bonds (distance) C4'-P energy: -93.346 bonds (distance) P-C4' energy: -99.332 flat angles C4'-P-C4' energy: -128.396 flat angles P-C4'-P energy: -65.146 tors. eta vs tors. theta energy: -83.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -944.919937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.919937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.919937 (E_RNA) where: Base-Base interactions energy: -559.352 where: short stacking energy: -266.626 Base-Backbone interact. energy: 1.019 local terms energy: -386.587063 where: bonds (distance) C4'-P energy: -107.054 bonds (distance) P-C4' energy: -107.483 flat angles C4'-P-C4' energy: -83.362 flat angles P-C4'-P energy: -66.228 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: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2596.831353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.831353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.831353 (E_RNA) where: Base-Base interactions energy: -1832.095 where: short stacking energy: -754.758 Base-Backbone interact. energy: -1.899 local terms energy: -762.837957 where: bonds (distance) C4'-P energy: -124.219 bonds (distance) P-C4' energy: -137.538 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -115.194 tors. eta vs tors. theta energy: -227.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2463.490615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.490615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.490615 (E_RNA) where: Base-Base interactions energy: -1740.137 where: short stacking energy: -719.658 Base-Backbone interact. energy: 2.533 local terms energy: -725.886282 where: bonds (distance) C4'-P energy: -125.348 bonds (distance) P-C4' energy: -131.463 flat angles C4'-P-C4' energy: -153.439 flat angles P-C4'-P energy: -104.511 tors. eta vs tors. theta energy: -211.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2331.647014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.647014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.647014 (E_RNA) where: Base-Base interactions energy: -1627.352 where: short stacking energy: -712.701 Base-Backbone interact. energy: 0.721 local terms energy: -705.015505 where: bonds (distance) C4'-P energy: -123.313 bonds (distance) P-C4' energy: -117.197 flat angles C4'-P-C4' energy: -149.411 flat angles P-C4'-P energy: -103.332 tors. eta vs tors. theta energy: -211.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2247.844313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.844313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.844313 (E_RNA) where: Base-Base interactions energy: -1562.370 where: short stacking energy: -658.273 Base-Backbone interact. energy: -0.726 local terms energy: -684.748217 where: bonds (distance) C4'-P energy: -121.548 bonds (distance) P-C4' energy: -136.660 flat angles C4'-P-C4' energy: -140.300 flat angles P-C4'-P energy: -87.355 tors. eta vs tors. theta energy: -198.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2142.050852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.050852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.050852 (E_RNA) where: Base-Base interactions energy: -1530.147 where: short stacking energy: -661.216 Base-Backbone interact. energy: -1.119 local terms energy: -610.784977 where: bonds (distance) C4'-P energy: -87.074 bonds (distance) P-C4' energy: -114.979 flat angles C4'-P-C4' energy: -138.516 flat angles P-C4'-P energy: -85.957 tors. eta vs tors. theta energy: -184.258 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: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1898.551426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.551426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.551426 (E_RNA) where: Base-Base interactions energy: -1285.418 where: short stacking energy: -561.448 Base-Backbone interact. energy: -1.379 local terms energy: -611.754266 where: bonds (distance) C4'-P energy: -118.381 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -123.456 flat angles P-C4'-P energy: -76.567 tors. eta vs tors. theta energy: -162.694 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: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1838.617513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.617513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.617513 (E_RNA) where: Base-Base interactions energy: -1288.936 where: short stacking energy: -534.965 Base-Backbone interact. energy: 1.119 local terms energy: -550.800453 where: bonds (distance) C4'-P energy: -88.740 bonds (distance) P-C4' energy: -111.340 flat angles C4'-P-C4' energy: -131.098 flat angles P-C4'-P energy: -85.226 tors. eta vs tors. theta energy: -134.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1714.861134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.861134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.861134 (E_RNA) where: Base-Base interactions energy: -1186.338 where: short stacking energy: -505.855 Base-Backbone interact. energy: -0.021 local terms energy: -528.501588 where: bonds (distance) C4'-P energy: -120.229 bonds (distance) P-C4' energy: -84.633 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -81.352 tors. eta vs tors. theta energy: -130.664 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: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1401.444414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.444414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.444414 (E_RNA) where: Base-Base interactions energy: -971.034 where: short stacking energy: -420.041 Base-Backbone interact. energy: -3.442 local terms energy: -426.967694 where: bonds (distance) C4'-P energy: -78.483 bonds (distance) P-C4' energy: -93.856 flat angles C4'-P-C4' energy: -109.814 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: -88.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -908.961856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.961856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.961856 (E_RNA) where: Base-Base interactions energy: -522.168 where: short stacking energy: -259.742 Base-Backbone interact. energy: -1.968 local terms energy: -384.825876 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -111.082 flat angles C4'-P-C4' energy: -105.148 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -12.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2620.901121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.901121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.901121 (E_RNA) where: Base-Base interactions energy: -1839.057 where: short stacking energy: -797.906 Base-Backbone interact. energy: -1.407 local terms energy: -780.436738 where: bonds (distance) C4'-P energy: -127.131 bonds (distance) P-C4' energy: -137.574 flat angles C4'-P-C4' energy: -156.604 flat angles P-C4'-P energy: -116.628 tors. eta vs tors. theta energy: -242.499 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: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2451.011047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.011047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.011047 (E_RNA) where: Base-Base interactions energy: -1724.894 where: short stacking energy: -702.050 Base-Backbone interact. energy: -0.298 local terms energy: -725.819010 where: bonds (distance) C4'-P energy: -134.199 bonds (distance) P-C4' energy: -130.464 flat angles C4'-P-C4' energy: -143.954 flat angles P-C4'-P energy: -102.674 tors. eta vs tors. theta energy: -214.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2324.309504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.309504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.309504 (E_RNA) where: Base-Base interactions energy: -1598.498 where: short stacking energy: -695.415 Base-Backbone interact. energy: -3.140 local terms energy: -722.671709 where: bonds (distance) C4'-P energy: -127.405 bonds (distance) P-C4' energy: -128.689 flat angles C4'-P-C4' energy: -153.761 flat angles P-C4'-P energy: -96.301 tors. eta vs tors. theta energy: -216.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2286.193158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.193158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.193158 (E_RNA) where: Base-Base interactions energy: -1610.175 where: short stacking energy: -696.464 Base-Backbone interact. energy: -1.168 local terms energy: -674.850404 where: bonds (distance) C4'-P energy: -105.796 bonds (distance) P-C4' energy: -118.990 flat angles C4'-P-C4' energy: -148.636 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -209.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2204.295559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.295559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.295559 (E_RNA) where: Base-Base interactions energy: -1542.651 where: short stacking energy: -652.830 Base-Backbone interact. energy: -0.809 local terms energy: -660.836011 where: bonds (distance) C4'-P energy: -124.107 bonds (distance) P-C4' energy: -112.407 flat angles C4'-P-C4' energy: -145.787 flat angles P-C4'-P energy: -91.869 tors. eta vs tors. theta energy: -186.666 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: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1963.732226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.732226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.732226 (E_RNA) where: Base-Base interactions energy: -1332.244 where: short stacking energy: -557.225 Base-Backbone interact. energy: 1.614 local terms energy: -633.102105 where: bonds (distance) C4'-P energy: -134.381 bonds (distance) P-C4' energy: -117.084 flat angles C4'-P-C4' energy: -129.011 flat angles P-C4'-P energy: -82.154 tors. eta vs tors. theta energy: -170.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1852.952478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.952478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.952478 (E_RNA) where: Base-Base interactions energy: -1288.723 where: short stacking energy: -515.134 Base-Backbone interact. energy: -1.059 local terms energy: -563.170818 where: bonds (distance) C4'-P energy: -107.282 bonds (distance) P-C4' energy: -131.568 flat angles C4'-P-C4' energy: -118.485 flat angles P-C4'-P energy: -81.297 tors. eta vs tors. theta energy: -124.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1677.752983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.752983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.752983 (E_RNA) where: Base-Base interactions energy: -1124.781 where: short stacking energy: -500.514 Base-Backbone interact. energy: 1.033 local terms energy: -554.004008 where: bonds (distance) C4'-P energy: -117.992 bonds (distance) P-C4' energy: -126.733 flat angles C4'-P-C4' energy: -123.931 flat angles P-C4'-P energy: -67.892 tors. eta vs tors. theta energy: -117.457 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: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1310.799453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.799453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.799453 (E_RNA) where: Base-Base interactions energy: -830.569 where: short stacking energy: -351.851 Base-Backbone interact. energy: -2.070 local terms energy: -478.160570 where: bonds (distance) C4'-P energy: -117.944 bonds (distance) P-C4' energy: -108.694 flat angles C4'-P-C4' energy: -110.919 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -68.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -880.873090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.873090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.873090 (E_RNA) where: Base-Base interactions energy: -494.380 where: short stacking energy: -249.895 Base-Backbone interact. energy: -0.233 local terms energy: -386.260524 where: bonds (distance) C4'-P energy: -90.095 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -90.274 flat angles P-C4'-P energy: -67.803 tors. eta vs tors. theta energy: -27.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2624.527323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.527323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.527323 (E_RNA) where: Base-Base interactions energy: -1842.606 where: short stacking energy: -785.989 Base-Backbone interact. energy: -0.511 local terms energy: -781.410732 where: bonds (distance) C4'-P energy: -139.058 bonds (distance) P-C4' energy: -132.990 flat angles C4'-P-C4' energy: -155.328 flat angles P-C4'-P energy: -113.540 tors. eta vs tors. theta energy: -240.494 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: 93 Temperature: 0.950000 Total energy: -2473.937802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.937802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.937802 (E_RNA) where: Base-Base interactions energy: -1731.132 where: short stacking energy: -733.801 Base-Backbone interact. energy: -5.262 local terms energy: -737.544335 where: bonds (distance) C4'-P energy: -142.158 bonds (distance) P-C4' energy: -122.709 flat angles C4'-P-C4' energy: -148.590 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -216.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2336.477327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.477327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.477327 (E_RNA) where: Base-Base interactions energy: -1641.968 where: short stacking energy: -711.875 Base-Backbone interact. energy: 0.607 local terms energy: -695.116831 where: bonds (distance) C4'-P energy: -122.027 bonds (distance) P-C4' energy: -113.232 flat angles C4'-P-C4' energy: -156.173 flat angles P-C4'-P energy: -91.288 tors. eta vs tors. theta energy: -212.397 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: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2310.968997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.968997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.968997 (E_RNA) where: Base-Base interactions energy: -1634.165 where: short stacking energy: -709.737 Base-Backbone interact. energy: -1.346 local terms energy: -675.458107 where: bonds (distance) C4'-P energy: -126.086 bonds (distance) P-C4' energy: -115.284 flat angles C4'-P-C4' energy: -135.977 flat angles P-C4'-P energy: -80.047 tors. eta vs tors. theta energy: -218.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2173.748773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.748773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.748773 (E_RNA) where: Base-Base interactions energy: -1537.799 where: short stacking energy: -643.375 Base-Backbone interact. energy: -0.018 local terms energy: -635.931770 where: bonds (distance) C4'-P energy: -100.890 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -131.230 flat angles P-C4'-P energy: -95.957 tors. eta vs tors. theta energy: -176.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1995.669605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.669605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.669605 (E_RNA) where: Base-Base interactions energy: -1374.965 where: short stacking energy: -605.194 Base-Backbone interact. energy: -4.872 local terms energy: -615.832251 where: bonds (distance) C4'-P energy: -110.742 bonds (distance) P-C4' energy: -103.676 flat angles C4'-P-C4' energy: -148.821 flat angles P-C4'-P energy: -73.504 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: 7, replica: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1936.575185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.575185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.575185 (E_RNA) where: Base-Base interactions energy: -1375.158 where: short stacking energy: -579.294 Base-Backbone interact. energy: 2.441 local terms energy: -563.857431 where: bonds (distance) C4'-P energy: -85.249 bonds (distance) P-C4' energy: -114.879 flat angles C4'-P-C4' energy: -125.349 flat angles P-C4'-P energy: -84.438 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: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1724.022922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.022922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.022922 (E_RNA) where: Base-Base interactions energy: -1203.944 where: short stacking energy: -486.509 Base-Backbone interact. energy: 3.559 local terms energy: -523.637351 where: bonds (distance) C4'-P energy: -94.048 bonds (distance) P-C4' energy: -94.512 flat angles C4'-P-C4' energy: -126.123 flat angles P-C4'-P energy: -80.874 tors. eta vs tors. theta energy: -128.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1320.084986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.084986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.084986 (E_RNA) where: Base-Base interactions energy: -835.012 where: short stacking energy: -363.801 Base-Backbone interact. energy: -1.103 local terms energy: -483.969972 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -116.989 flat angles C4'-P-C4' energy: -107.534 flat angles P-C4'-P energy: -69.890 tors. eta vs tors. theta energy: -71.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -913.690957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.690957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.690957 (E_RNA) where: Base-Base interactions energy: -535.228 where: short stacking energy: -269.840 Base-Backbone interact. energy: 3.340 local terms energy: -381.803348 where: bonds (distance) C4'-P energy: -97.508 bonds (distance) P-C4' energy: -122.338 flat angles C4'-P-C4' energy: -99.234 flat angles P-C4'-P energy: -49.139 tors. eta vs tors. theta energy: -13.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2628.356525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.356525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.356525 (E_RNA) where: Base-Base interactions energy: -1847.249 where: short stacking energy: -776.130 Base-Backbone interact. energy: -2.558 local terms energy: -778.550160 where: bonds (distance) C4'-P energy: -124.421 bonds (distance) P-C4' energy: -135.002 flat angles C4'-P-C4' energy: -163.182 flat angles P-C4'-P energy: -115.038 tors. eta vs tors. theta energy: -240.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2441.387672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.387672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.387672 (E_RNA) where: Base-Base interactions energy: -1710.128 where: short stacking energy: -744.454 Base-Backbone interact. energy: 3.703 local terms energy: -734.962619 where: bonds (distance) C4'-P energy: -122.288 bonds (distance) P-C4' energy: -133.908 flat angles C4'-P-C4' energy: -157.645 flat angles P-C4'-P energy: -98.633 tors. eta vs tors. theta energy: -222.489 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: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2324.115189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.115189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.115189 (E_RNA) where: Base-Base interactions energy: -1584.355 where: short stacking energy: -696.847 Base-Backbone interact. energy: -2.328 local terms energy: -737.431631 where: bonds (distance) C4'-P energy: -131.203 bonds (distance) P-C4' energy: -133.621 flat angles C4'-P-C4' energy: -152.257 flat angles P-C4'-P energy: -106.920 tors. eta vs tors. theta energy: -213.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2320.025849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.025849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.025849 (E_RNA) where: Base-Base interactions energy: -1586.426 where: short stacking energy: -675.768 Base-Backbone interact. energy: -2.166 local terms energy: -731.433075 where: bonds (distance) C4'-P energy: -132.760 bonds (distance) P-C4' energy: -138.911 flat angles C4'-P-C4' energy: -157.953 flat angles P-C4'-P energy: -83.275 tors. eta vs tors. theta energy: -218.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2207.532584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.532584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.532584 (E_RNA) where: Base-Base interactions energy: -1548.010 where: short stacking energy: -656.591 Base-Backbone interact. energy: 8.478 local terms energy: -668.000340 where: bonds (distance) C4'-P energy: -129.734 bonds (distance) P-C4' energy: -117.448 flat angles C4'-P-C4' energy: -128.902 flat angles P-C4'-P energy: -99.689 tors. eta vs tors. theta energy: -192.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2021.894265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.894265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.894265 (E_RNA) where: Base-Base interactions energy: -1388.463 where: short stacking energy: -595.095 Base-Backbone interact. energy: -0.524 local terms energy: -632.907354 where: bonds (distance) C4'-P energy: -118.373 bonds (distance) P-C4' energy: -107.082 flat angles C4'-P-C4' energy: -140.681 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -169.443 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: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1835.631178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.631178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.631178 (E_RNA) where: Base-Base interactions energy: -1304.297 where: short stacking energy: -527.697 Base-Backbone interact. energy: -3.472 local terms energy: -527.861725 where: bonds (distance) C4'-P energy: -97.747 bonds (distance) P-C4' energy: -107.382 flat angles C4'-P-C4' energy: -128.590 flat angles P-C4'-P energy: -75.783 tors. eta vs tors. theta energy: -118.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1695.466616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.466616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.466616 (E_RNA) where: Base-Base interactions energy: -1140.254 where: short stacking energy: -478.813 Base-Backbone interact. energy: -0.807 local terms energy: -554.406061 where: bonds (distance) C4'-P energy: -97.235 bonds (distance) P-C4' energy: -115.409 flat angles C4'-P-C4' energy: -131.834 flat angles P-C4'-P energy: -85.689 tors. eta vs tors. theta energy: -124.239 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: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1319.174110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.174110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.174110 (E_RNA) where: Base-Base interactions energy: -843.002 where: short stacking energy: -392.661 Base-Backbone interact. energy: -1.935 local terms energy: -474.236533 where: bonds (distance) C4'-P energy: -112.596 bonds (distance) P-C4' energy: -89.769 flat angles C4'-P-C4' energy: -120.699 flat angles P-C4'-P energy: -63.316 tors. eta vs tors. theta energy: -87.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -887.942448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.942448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.942448 (E_RNA) where: Base-Base interactions energy: -494.628 where: short stacking energy: -266.818 Base-Backbone interact. energy: -3.638 local terms energy: -389.677389 where: bonds (distance) C4'-P energy: -80.277 bonds (distance) P-C4' energy: -110.089 flat angles C4'-P-C4' energy: -107.223 flat angles P-C4'-P energy: -60.352 tors. eta vs tors. theta energy: -31.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2638.374070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.374070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.374070 (E_RNA) where: Base-Base interactions energy: -1854.339 where: short stacking energy: -778.478 Base-Backbone interact. energy: -1.036 local terms energy: -782.999109 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -139.815 flat angles C4'-P-C4' energy: -163.813 flat angles P-C4'-P energy: -103.686 tors. eta vs tors. theta energy: -241.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2428.086016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.086016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.086016 (E_RNA) where: Base-Base interactions energy: -1720.813 where: short stacking energy: -725.720 Base-Backbone interact. energy: -5.242 local terms energy: -702.031538 where: bonds (distance) C4'-P energy: -116.200 bonds (distance) P-C4' energy: -129.410 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -86.830 tors. eta vs tors. theta energy: -207.298 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: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2338.600945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.600945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.600945 (E_RNA) where: Base-Base interactions energy: -1607.257 where: short stacking energy: -707.794 Base-Backbone interact. energy: 2.790 local terms energy: -734.134610 where: bonds (distance) C4'-P energy: -129.814 bonds (distance) P-C4' energy: -137.600 flat angles C4'-P-C4' energy: -156.685 flat angles P-C4'-P energy: -98.359 tors. eta vs tors. theta energy: -211.677 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: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2254.365124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.365124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.365124 (E_RNA) where: Base-Base interactions energy: -1593.701 where: short stacking energy: -658.203 Base-Backbone interact. energy: -1.172 local terms energy: -659.492664 where: bonds (distance) C4'-P energy: -120.192 bonds (distance) P-C4' energy: -112.219 flat angles C4'-P-C4' energy: -142.692 flat angles P-C4'-P energy: -89.375 tors. eta vs tors. theta energy: -195.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2227.942576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.942576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.942576 (E_RNA) where: Base-Base interactions energy: -1559.573 where: short stacking energy: -687.741 Base-Backbone interact. energy: 1.533 local terms energy: -669.902243 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -108.668 flat angles C4'-P-C4' energy: -138.005 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -203.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2009.944752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.944752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.944752 (E_RNA) where: Base-Base interactions energy: -1377.754 where: short stacking energy: -569.412 Base-Backbone interact. energy: -1.152 local terms energy: -631.039422 where: bonds (distance) C4'-P energy: -109.833 bonds (distance) P-C4' energy: -131.470 flat angles C4'-P-C4' energy: -137.076 flat angles P-C4'-P energy: -94.807 tors. eta vs tors. theta energy: -157.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1802.854719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.854719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.854719 (E_RNA) where: Base-Base interactions energy: -1258.774 where: short stacking energy: -527.448 Base-Backbone interact. energy: 2.849 local terms energy: -546.930143 where: bonds (distance) C4'-P energy: -115.426 bonds (distance) P-C4' energy: -104.132 flat angles C4'-P-C4' energy: -119.301 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -130.118 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: 95 Temperature: 1.250000 Total energy: -1656.580215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.580215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.580215 (E_RNA) where: Base-Base interactions energy: -1143.489 where: short stacking energy: -462.984 Base-Backbone interact. energy: 3.330 local terms energy: -516.421405 where: bonds (distance) C4'-P energy: -103.566 bonds (distance) P-C4' energy: -106.337 flat angles C4'-P-C4' energy: -129.321 flat angles P-C4'-P energy: -68.219 tors. eta vs tors. theta energy: -108.978 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: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1348.937702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.937702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.937702 (E_RNA) where: Base-Base interactions energy: -880.338 where: short stacking energy: -380.522 Base-Backbone interact. energy: 5.533 local terms energy: -474.132377 where: bonds (distance) C4'-P energy: -96.977 bonds (distance) P-C4' energy: -135.431 flat angles C4'-P-C4' energy: -101.431 flat angles P-C4'-P energy: -67.431 tors. eta vs tors. theta energy: -72.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -878.623422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.623422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.623422 (E_RNA) where: Base-Base interactions energy: -512.842 where: short stacking energy: -258.756 Base-Backbone interact. energy: 4.367 local terms energy: -370.148607 where: bonds (distance) C4'-P energy: -99.986 bonds (distance) P-C4' energy: -119.530 flat angles C4'-P-C4' energy: -97.864 flat angles P-C4'-P energy: -44.486 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2632.557595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.557595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.557595 (E_RNA) where: Base-Base interactions energy: -1862.417 where: short stacking energy: -773.086 Base-Backbone interact. energy: -2.478 local terms energy: -767.663019 where: bonds (distance) C4'-P energy: -139.318 bonds (distance) P-C4' energy: -127.430 flat angles C4'-P-C4' energy: -155.710 flat angles P-C4'-P energy: -111.974 tors. eta vs tors. theta energy: -233.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2426.896891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.896891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.896891 (E_RNA) where: Base-Base interactions energy: -1717.227 where: short stacking energy: -701.957 Base-Backbone interact. energy: -5.359 local terms energy: -704.311140 where: bonds (distance) C4'-P energy: -121.597 bonds (distance) P-C4' energy: -121.004 flat angles C4'-P-C4' energy: -144.642 flat angles P-C4'-P energy: -103.937 tors. eta vs tors. theta energy: -213.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2357.156889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.156889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.156889 (E_RNA) where: Base-Base interactions energy: -1631.544 where: short stacking energy: -699.126 Base-Backbone interact. energy: -2.516 local terms energy: -723.097258 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -134.342 flat angles C4'-P-C4' energy: -142.572 flat angles P-C4'-P energy: -98.348 tors. eta vs tors. theta energy: -219.142 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: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2280.443264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.443264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.443264 (E_RNA) where: Base-Base interactions energy: -1617.403 where: short stacking energy: -678.162 Base-Backbone interact. energy: 3.142 local terms energy: -666.182302 where: bonds (distance) C4'-P energy: -102.570 bonds (distance) P-C4' energy: -127.801 flat angles C4'-P-C4' energy: -146.891 flat angles P-C4'-P energy: -84.348 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: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2203.277314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.277314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.277314 (E_RNA) where: Base-Base interactions energy: -1520.197 where: short stacking energy: -690.936 Base-Backbone interact. energy: -2.141 local terms energy: -680.939950 where: bonds (distance) C4'-P energy: -108.735 bonds (distance) P-C4' energy: -117.410 flat angles C4'-P-C4' energy: -157.629 flat angles P-C4'-P energy: -80.699 tors. eta vs tors. theta energy: -216.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2033.021097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.021097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.021097 (E_RNA) where: Base-Base interactions energy: -1415.506 where: short stacking energy: -615.515 Base-Backbone interact. energy: -2.736 local terms energy: -614.779102 where: bonds (distance) C4'-P energy: -87.336 bonds (distance) P-C4' energy: -128.550 flat angles C4'-P-C4' energy: -134.487 flat angles P-C4'-P energy: -95.406 tors. eta vs tors. theta energy: -169.001 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: 8 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1873.701635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.701635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.701635 (E_RNA) where: Base-Base interactions energy: -1287.753 where: short stacking energy: -577.857 Base-Backbone interact. energy: -4.060 local terms energy: -581.888801 where: bonds (distance) C4'-P energy: -104.855 bonds (distance) P-C4' energy: -103.088 flat angles C4'-P-C4' energy: -134.471 flat angles P-C4'-P energy: -84.005 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: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1657.960104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.960104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.960104 (E_RNA) where: Base-Base interactions energy: -1124.105 where: short stacking energy: -463.505 Base-Backbone interact. energy: -3.854 local terms energy: -530.001032 where: bonds (distance) C4'-P energy: -105.279 bonds (distance) P-C4' energy: -122.390 flat angles C4'-P-C4' energy: -125.428 flat angles P-C4'-P energy: -71.553 tors. eta vs tors. theta energy: -105.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1490.506951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.506951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.506951 (E_RNA) where: Base-Base interactions energy: -1016.185 where: short stacking energy: -445.195 Base-Backbone interact. energy: -1.998 local terms energy: -472.324283 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -105.988 flat angles C4'-P-C4' energy: -112.798 flat angles P-C4'-P energy: -76.716 tors. eta vs tors. theta energy: -91.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -914.813543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.813543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.813543 (E_RNA) where: Base-Base interactions energy: -543.324 where: short stacking energy: -262.686 Base-Backbone interact. energy: 0.196 local terms energy: -371.685898 where: bonds (distance) C4'-P energy: -102.616 bonds (distance) P-C4' energy: -111.655 flat angles C4'-P-C4' energy: -97.863 flat angles P-C4'-P energy: -48.972 tors. eta vs tors. theta energy: -10.579 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: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2615.202229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.202229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.202229 (E_RNA) where: Base-Base interactions energy: -1851.692 where: short stacking energy: -776.094 Base-Backbone interact. energy: -1.268 local terms energy: -762.242291 where: bonds (distance) C4'-P energy: -131.747 bonds (distance) P-C4' energy: -138.996 flat angles C4'-P-C4' energy: -146.190 flat angles P-C4'-P energy: -103.590 tors. eta vs tors. theta energy: -241.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2402.990678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.990678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.990678 (E_RNA) where: Base-Base interactions energy: -1706.751 where: short stacking energy: -712.916 Base-Backbone interact. energy: -1.626 local terms energy: -694.613700 where: bonds (distance) C4'-P energy: -130.803 bonds (distance) P-C4' energy: -132.134 flat angles C4'-P-C4' energy: -141.237 flat angles P-C4'-P energy: -90.694 tors. eta vs tors. theta energy: -199.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2354.941169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.941169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.941169 (E_RNA) where: Base-Base interactions energy: -1631.889 where: short stacking energy: -702.411 Base-Backbone interact. energy: -1.216 local terms energy: -721.836273 where: bonds (distance) C4'-P energy: -130.594 bonds (distance) P-C4' energy: -122.677 flat angles C4'-P-C4' energy: -157.389 flat angles P-C4'-P energy: -98.048 tors. eta vs tors. theta energy: -213.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2291.590928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.590928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.590928 (E_RNA) where: Base-Base interactions energy: -1618.036 where: short stacking energy: -671.463 Base-Backbone interact. energy: -2.009 local terms energy: -671.546283 where: bonds (distance) C4'-P energy: -122.616 bonds (distance) P-C4' energy: -112.758 flat angles C4'-P-C4' energy: -141.677 flat angles P-C4'-P energy: -89.967 tors. eta vs tors. theta energy: -204.529 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: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2201.257409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.257409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.257409 (E_RNA) where: Base-Base interactions energy: -1550.591 where: short stacking energy: -670.172 Base-Backbone interact. energy: -1.728 local terms energy: -648.937826 where: bonds (distance) C4'-P energy: -103.880 bonds (distance) P-C4' energy: -118.621 flat angles C4'-P-C4' energy: -136.367 flat angles P-C4'-P energy: -90.679 tors. eta vs tors. theta energy: -199.390 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: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2019.969162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.969162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.969162 (E_RNA) where: Base-Base interactions energy: -1408.600 where: short stacking energy: -586.630 Base-Backbone interact. energy: -2.572 local terms energy: -608.797060 where: bonds (distance) C4'-P energy: -110.308 bonds (distance) P-C4' energy: -123.675 flat angles C4'-P-C4' energy: -124.538 flat angles P-C4'-P energy: -93.327 tors. eta vs tors. theta energy: -156.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1772.862412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.862412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.862412 (E_RNA) where: Base-Base interactions energy: -1219.719 where: short stacking energy: -514.479 Base-Backbone interact. energy: 0.510 local terms energy: -553.653121 where: bonds (distance) C4'-P energy: -119.760 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -113.750 flat angles P-C4'-P energy: -79.649 tors. eta vs tors. theta energy: -132.015 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: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1705.358827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.358827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.358827 (E_RNA) where: Base-Base interactions energy: -1180.635 where: short stacking energy: -505.424 Base-Backbone interact. energy: -4.224 local terms energy: -520.500400 where: bonds (distance) C4'-P energy: -99.885 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -127.873 flat angles P-C4'-P energy: -76.628 tors. eta vs tors. theta energy: -118.248 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: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1475.006058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.006058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.006058 (E_RNA) where: Base-Base interactions energy: -972.017 where: short stacking energy: -430.598 Base-Backbone interact. energy: -1.146 local terms energy: -501.843320 where: bonds (distance) C4'-P energy: -97.087 bonds (distance) P-C4' energy: -121.500 flat angles C4'-P-C4' energy: -120.801 flat angles P-C4'-P energy: -67.592 tors. eta vs tors. theta energy: -94.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -871.437513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.437513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.437513 (E_RNA) where: Base-Base interactions energy: -500.839 where: short stacking energy: -237.262 Base-Backbone interact. energy: 2.996 local terms energy: -373.593917 where: bonds (distance) C4'-P energy: -104.011 bonds (distance) P-C4' energy: -125.076 flat angles C4'-P-C4' energy: -90.066 flat angles P-C4'-P energy: -47.726 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2598.647483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.647483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.647483 (E_RNA) where: Base-Base interactions energy: -1822.959 where: short stacking energy: -769.857 Base-Backbone interact. energy: -1.094 local terms energy: -774.593862 where: bonds (distance) C4'-P energy: -131.898 bonds (distance) P-C4' energy: -130.521 flat angles C4'-P-C4' energy: -164.045 flat angles P-C4'-P energy: -109.141 tors. eta vs tors. theta energy: -238.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2415.359469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.359469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.359469 (E_RNA) where: Base-Base interactions energy: -1695.288 where: short stacking energy: -675.876 Base-Backbone interact. energy: -1.818 local terms energy: -718.253556 where: bonds (distance) C4'-P energy: -117.728 bonds (distance) P-C4' energy: -135.280 flat angles C4'-P-C4' energy: -156.310 flat angles P-C4'-P energy: -116.830 tors. eta vs tors. theta energy: -192.105 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: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2311.769184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.769184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.769184 (E_RNA) where: Base-Base interactions energy: -1620.306 where: short stacking energy: -710.529 Base-Backbone interact. energy: -2.025 local terms energy: -689.437456 where: bonds (distance) C4'-P energy: -132.608 bonds (distance) P-C4' energy: -115.689 flat angles C4'-P-C4' energy: -141.747 flat angles P-C4'-P energy: -88.274 tors. eta vs tors. theta energy: -211.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2300.882037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.882037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.882037 (E_RNA) where: Base-Base interactions energy: -1607.089 where: short stacking energy: -664.083 Base-Backbone interact. energy: -0.751 local terms energy: -693.042034 where: bonds (distance) C4'-P energy: -125.001 bonds (distance) P-C4' energy: -133.974 flat angles C4'-P-C4' energy: -137.204 flat angles P-C4'-P energy: -91.786 tors. eta vs tors. theta energy: -205.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2198.226253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.226253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.226253 (E_RNA) where: Base-Base interactions energy: -1493.424 where: short stacking energy: -632.193 Base-Backbone interact. energy: 2.715 local terms energy: -707.517825 where: bonds (distance) C4'-P energy: -136.769 bonds (distance) P-C4' energy: -112.653 flat angles C4'-P-C4' energy: -152.823 flat angles P-C4'-P energy: -98.905 tors. eta vs tors. theta energy: -206.368 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: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2044.974083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.974083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.974083 (E_RNA) where: Base-Base interactions energy: -1460.081 where: short stacking energy: -607.843 Base-Backbone interact. energy: -0.459 local terms energy: -584.434204 where: bonds (distance) C4'-P energy: -103.994 bonds (distance) P-C4' energy: -114.834 flat angles C4'-P-C4' energy: -126.347 flat angles P-C4'-P energy: -75.426 tors. eta vs tors. theta energy: -163.834 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: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1848.262575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.262575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.262575 (E_RNA) where: Base-Base interactions energy: -1268.654 where: short stacking energy: -526.744 Base-Backbone interact. energy: -1.541 local terms energy: -578.066876 where: bonds (distance) C4'-P energy: -122.888 bonds (distance) P-C4' energy: -105.867 flat angles C4'-P-C4' energy: -126.035 flat angles P-C4'-P energy: -85.511 tors. eta vs tors. theta energy: -137.766 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: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1712.011968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.011968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.011968 (E_RNA) where: Base-Base interactions energy: -1163.227 where: short stacking energy: -503.340 Base-Backbone interact. energy: 0.412 local terms energy: -549.197184 where: bonds (distance) C4'-P energy: -108.117 bonds (distance) P-C4' energy: -119.945 flat angles C4'-P-C4' energy: -116.245 flat angles P-C4'-P energy: -82.213 tors. eta vs tors. theta energy: -122.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1440.159993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.159993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.159993 (E_RNA) where: Base-Base interactions energy: -965.172 where: short stacking energy: -422.419 Base-Backbone interact. energy: -3.172 local terms energy: -471.816140 where: bonds (distance) C4'-P energy: -114.541 bonds (distance) P-C4' energy: -104.277 flat angles C4'-P-C4' energy: -115.453 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -87.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -917.260560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.260560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.260560 (E_RNA) where: Base-Base interactions energy: -515.355 where: short stacking energy: -244.146 Base-Backbone interact. energy: -0.866 local terms energy: -401.039535 where: bonds (distance) C4'-P energy: -112.547 bonds (distance) P-C4' energy: -105.513 flat angles C4'-P-C4' energy: -108.200 flat angles P-C4'-P energy: -49.735 tors. eta vs tors. theta energy: -25.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2612.822625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.822625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.822625 (E_RNA) where: Base-Base interactions energy: -1837.006 where: short stacking energy: -768.986 Base-Backbone interact. energy: -0.696 local terms energy: -775.120043 where: bonds (distance) C4'-P energy: -126.769 bonds (distance) P-C4' energy: -131.588 flat angles C4'-P-C4' energy: -168.467 flat angles P-C4'-P energy: -104.368 tors. eta vs tors. theta energy: -243.928 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: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2405.785494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.785494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.785494 (E_RNA) where: Base-Base interactions energy: -1681.252 where: short stacking energy: -689.137 Base-Backbone interact. energy: -2.667 local terms energy: -721.866448 where: bonds (distance) C4'-P energy: -128.688 bonds (distance) P-C4' energy: -141.655 flat angles C4'-P-C4' energy: -147.656 flat angles P-C4'-P energy: -102.559 tors. eta vs tors. theta energy: -201.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2317.728497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.728497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.728497 (E_RNA) where: Base-Base interactions energy: -1590.514 where: short stacking energy: -690.159 Base-Backbone interact. energy: -2.691 local terms energy: -724.523213 where: bonds (distance) C4'-P energy: -128.830 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -147.013 flat angles P-C4'-P energy: -98.408 tors. eta vs tors. theta energy: -212.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2292.896424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.896424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.896424 (E_RNA) where: Base-Base interactions energy: -1613.972 where: short stacking energy: -647.785 Base-Backbone interact. energy: -1.949 local terms energy: -676.975033 where: bonds (distance) C4'-P energy: -112.836 bonds (distance) P-C4' energy: -130.802 flat angles C4'-P-C4' energy: -137.315 flat angles P-C4'-P energy: -104.257 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: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2149.945040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.945040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.945040 (E_RNA) where: Base-Base interactions energy: -1481.659 where: short stacking energy: -646.652 Base-Backbone interact. energy: -1.862 local terms energy: -666.423330 where: bonds (distance) C4'-P energy: -114.683 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -131.380 flat angles P-C4'-P energy: -92.970 tors. eta vs tors. theta energy: -198.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1986.219812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.219812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.219812 (E_RNA) where: Base-Base interactions energy: -1379.529 where: short stacking energy: -563.559 Base-Backbone interact. energy: 1.468 local terms energy: -608.159031 where: bonds (distance) C4'-P energy: -116.806 bonds (distance) P-C4' energy: -118.028 flat angles C4'-P-C4' energy: -123.630 flat angles P-C4'-P energy: -96.722 tors. eta vs tors. theta energy: -152.973 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: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1834.998430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.998430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.998430 (E_RNA) where: Base-Base interactions energy: -1256.941 where: short stacking energy: -567.311 Base-Backbone interact. energy: -3.653 local terms energy: -574.404293 where: bonds (distance) C4'-P energy: -109.302 bonds (distance) P-C4' energy: -108.962 flat angles C4'-P-C4' energy: -132.149 flat angles P-C4'-P energy: -73.056 tors. eta vs tors. theta energy: -150.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1725.520297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.520297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.520297 (E_RNA) where: Base-Base interactions energy: -1165.812 where: short stacking energy: -483.195 Base-Backbone interact. energy: -2.950 local terms energy: -556.758669 where: bonds (distance) C4'-P energy: -105.642 bonds (distance) P-C4' energy: -128.619 flat angles C4'-P-C4' energy: -113.061 flat angles P-C4'-P energy: -77.129 tors. eta vs tors. theta energy: -132.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1419.835433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.835433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.835433 (E_RNA) where: Base-Base interactions energy: -945.000 where: short stacking energy: -420.603 Base-Backbone interact. energy: 10.170 local terms energy: -485.005858 where: bonds (distance) C4'-P energy: -108.719 bonds (distance) P-C4' energy: -114.144 flat angles C4'-P-C4' energy: -123.065 flat angles P-C4'-P energy: -50.978 tors. eta vs tors. theta energy: -88.100 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: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -900.109641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.109641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.109641 (E_RNA) where: Base-Base interactions energy: -543.842 where: short stacking energy: -249.005 Base-Backbone interact. energy: 1.384 local terms energy: -357.651931 where: bonds (distance) C4'-P energy: -107.721 bonds (distance) P-C4' energy: -94.776 flat angles C4'-P-C4' energy: -89.749 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -21.327 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: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2623.083673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.083673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.083673 (E_RNA) where: Base-Base interactions energy: -1850.551 where: short stacking energy: -771.111 Base-Backbone interact. energy: -0.424 local terms energy: -772.109055 where: bonds (distance) C4'-P energy: -124.575 bonds (distance) P-C4' energy: -138.999 flat angles C4'-P-C4' energy: -158.089 flat angles P-C4'-P energy: -114.871 tors. eta vs tors. theta energy: -235.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2412.017500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.017500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.017500 (E_RNA) where: Base-Base interactions energy: -1704.894 where: short stacking energy: -713.160 Base-Backbone interact. energy: -2.301 local terms energy: -704.821933 where: bonds (distance) C4'-P energy: -125.611 bonds (distance) P-C4' energy: -122.211 flat angles C4'-P-C4' energy: -148.141 flat angles P-C4'-P energy: -107.199 tors. eta vs tors. theta energy: -201.660 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: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2340.883379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.883379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.883379 (E_RNA) where: Base-Base interactions energy: -1642.791 where: short stacking energy: -690.365 Base-Backbone interact. energy: -3.384 local terms energy: -694.708908 where: bonds (distance) C4'-P energy: -127.479 bonds (distance) P-C4' energy: -134.943 flat angles C4'-P-C4' energy: -143.926 flat angles P-C4'-P energy: -93.259 tors. eta vs tors. theta energy: -195.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2302.567849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.567849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.567849 (E_RNA) where: Base-Base interactions energy: -1594.861 where: short stacking energy: -705.391 Base-Backbone interact. energy: -3.673 local terms energy: -704.033772 where: bonds (distance) C4'-P energy: -118.084 bonds (distance) P-C4' energy: -141.010 flat angles C4'-P-C4' energy: -136.544 flat angles P-C4'-P energy: -102.536 tors. eta vs tors. theta energy: -205.860 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: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2226.971429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.971429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.971429 (E_RNA) where: Base-Base interactions energy: -1538.130 where: short stacking energy: -666.497 Base-Backbone interact. energy: -1.399 local terms energy: -687.442466 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -118.041 flat angles C4'-P-C4' energy: -147.351 flat angles P-C4'-P energy: -104.679 tors. eta vs tors. theta energy: -190.922 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: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1961.983162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.983162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.983162 (E_RNA) where: Base-Base interactions energy: -1369.853 where: short stacking energy: -594.643 Base-Backbone interact. energy: 0.814 local terms energy: -592.943954 where: bonds (distance) C4'-P energy: -101.889 bonds (distance) P-C4' energy: -121.431 flat angles C4'-P-C4' energy: -130.632 flat angles P-C4'-P energy: -86.580 tors. eta vs tors. theta energy: -152.412 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: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1917.962251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.962251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.962251 (E_RNA) where: Base-Base interactions energy: -1351.234 where: short stacking energy: -585.725 Base-Backbone interact. energy: 4.313 local terms energy: -571.041250 where: bonds (distance) C4'-P energy: -87.942 bonds (distance) P-C4' energy: -110.501 flat angles C4'-P-C4' energy: -139.091 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: -155.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1843.039135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.039135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.039135 (E_RNA) where: Base-Base interactions energy: -1262.720 where: short stacking energy: -500.468 Base-Backbone interact. energy: 1.779 local terms energy: -582.098805 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -121.329 flat angles C4'-P-C4' energy: -124.441 flat angles P-C4'-P energy: -89.976 tors. eta vs tors. theta energy: -140.604 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: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1381.604156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.604156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.604156 (E_RNA) where: Base-Base interactions energy: -925.257 where: short stacking energy: -380.231 Base-Backbone interact. energy: -2.835 local terms energy: -453.511927 where: bonds (distance) C4'-P energy: -115.670 bonds (distance) P-C4' energy: -102.763 flat angles C4'-P-C4' energy: -101.475 flat angles P-C4'-P energy: -64.838 tors. eta vs tors. theta energy: -68.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -841.666091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.666091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.666091 (E_RNA) where: Base-Base interactions energy: -472.557 where: short stacking energy: -248.590 Base-Backbone interact. energy: 1.585 local terms energy: -370.694276 where: bonds (distance) C4'-P energy: -88.331 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -93.686 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -25.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2602.411960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.411960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.411960 (E_RNA) where: Base-Base interactions energy: -1839.880 where: short stacking energy: -770.570 Base-Backbone interact. energy: 2.059 local terms energy: -764.591617 where: bonds (distance) C4'-P energy: -127.629 bonds (distance) P-C4' energy: -129.954 flat angles C4'-P-C4' energy: -168.688 flat angles P-C4'-P energy: -103.753 tors. eta vs tors. theta energy: -234.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2418.926245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.926245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.926245 (E_RNA) where: Base-Base interactions energy: -1712.827 where: short stacking energy: -711.850 Base-Backbone interact. energy: -4.412 local terms energy: -701.687546 where: bonds (distance) C4'-P energy: -117.809 bonds (distance) P-C4' energy: -122.402 flat angles C4'-P-C4' energy: -143.571 flat angles P-C4'-P energy: -98.408 tors. eta vs tors. theta energy: -219.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2332.865003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.865003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.865003 (E_RNA) where: Base-Base interactions energy: -1625.080 where: short stacking energy: -687.954 Base-Backbone interact. energy: 0.768 local terms energy: -708.552895 where: bonds (distance) C4'-P energy: -136.575 bonds (distance) P-C4' energy: -133.924 flat angles C4'-P-C4' energy: -150.722 flat angles P-C4'-P energy: -86.387 tors. eta vs tors. theta energy: -200.945 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: 5 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2268.677641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.677641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.677641 (E_RNA) where: Base-Base interactions energy: -1559.742 where: short stacking energy: -667.570 Base-Backbone interact. energy: 0.658 local terms energy: -709.592902 where: bonds (distance) C4'-P energy: -131.401 bonds (distance) P-C4' energy: -123.188 flat angles C4'-P-C4' energy: -145.663 flat angles P-C4'-P energy: -96.433 tors. eta vs tors. theta energy: -212.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2120.926784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.926784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.926784 (E_RNA) where: Base-Base interactions energy: -1466.072 where: short stacking energy: -628.605 Base-Backbone interact. energy: -0.830 local terms energy: -654.024726 where: bonds (distance) C4'-P energy: -124.487 bonds (distance) P-C4' energy: -116.601 flat angles C4'-P-C4' energy: -132.553 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -199.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1924.452306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.452306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.452306 (E_RNA) where: Base-Base interactions energy: -1368.282 where: short stacking energy: -557.379 Base-Backbone interact. energy: 0.583 local terms energy: -556.753462 where: bonds (distance) C4'-P energy: -80.980 bonds (distance) P-C4' energy: -109.232 flat angles C4'-P-C4' energy: -122.172 flat angles P-C4'-P energy: -76.165 tors. eta vs tors. theta energy: -168.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1839.602061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.602061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.602061 (E_RNA) where: Base-Base interactions energy: -1259.038 where: short stacking energy: -531.180 Base-Backbone interact. energy: -1.680 local terms energy: -578.884779 where: bonds (distance) C4'-P energy: -88.465 bonds (distance) P-C4' energy: -124.171 flat angles C4'-P-C4' energy: -133.442 flat angles P-C4'-P energy: -91.366 tors. eta vs tors. theta energy: -141.440 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: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1866.470051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.470051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.470051 (E_RNA) where: Base-Base interactions energy: -1292.948 where: short stacking energy: -510.299 Base-Backbone interact. energy: -1.492 local terms energy: -572.030003 where: bonds (distance) C4'-P energy: -110.795 bonds (distance) P-C4' energy: -125.159 flat angles C4'-P-C4' energy: -114.726 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -154.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1464.410802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.410802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.410802 (E_RNA) where: Base-Base interactions energy: -987.412 where: short stacking energy: -427.816 Base-Backbone interact. energy: 3.179 local terms energy: -480.177898 where: bonds (distance) C4'-P energy: -98.391 bonds (distance) P-C4' energy: -103.498 flat angles C4'-P-C4' energy: -115.084 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -94.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -905.579053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.579053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.579053 (E_RNA) where: Base-Base interactions energy: -481.299 where: short stacking energy: -240.137 Base-Backbone interact. energy: 2.679 local terms energy: -426.958278 where: bonds (distance) C4'-P energy: -103.324 bonds (distance) P-C4' energy: -100.981 flat angles C4'-P-C4' energy: -111.132 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -31.127 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: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2621.091696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.091696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.091696 (E_RNA) where: Base-Base interactions energy: -1838.165 where: short stacking energy: -768.651 Base-Backbone interact. energy: -1.081 local terms energy: -781.845494 where: bonds (distance) C4'-P energy: -130.677 bonds (distance) P-C4' energy: -135.860 flat angles C4'-P-C4' energy: -159.138 flat angles P-C4'-P energy: -118.550 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: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2413.889244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.889244 (E_RNA) where: Base-Base interactions energy: -1716.832 where: short stacking energy: -701.578 Base-Backbone interact. energy: -5.993 local terms energy: -691.063775 where: bonds (distance) C4'-P energy: -121.570 bonds (distance) P-C4' energy: -112.324 flat angles C4'-P-C4' energy: -152.578 flat angles P-C4'-P energy: -105.092 tors. eta vs tors. theta energy: -199.500 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: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2358.844592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.844592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.844592 (E_RNA) where: Base-Base interactions energy: -1630.645 where: short stacking energy: -710.629 Base-Backbone interact. energy: -3.369 local terms energy: -724.829942 where: bonds (distance) C4'-P energy: -132.691 bonds (distance) P-C4' energy: -125.627 flat angles C4'-P-C4' energy: -145.741 flat angles P-C4'-P energy: -109.685 tors. eta vs tors. theta energy: -211.086 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: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2219.465500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.465500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.465500 (E_RNA) where: Base-Base interactions energy: -1529.552 where: short stacking energy: -661.404 Base-Backbone interact. energy: 2.982 local terms energy: -692.895757 where: bonds (distance) C4'-P energy: -117.575 bonds (distance) P-C4' energy: -132.808 flat angles C4'-P-C4' energy: -144.775 flat angles P-C4'-P energy: -83.916 tors. eta vs tors. theta energy: -213.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2141.344805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.344805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.344805 (E_RNA) where: Base-Base interactions energy: -1482.482 where: short stacking energy: -664.802 Base-Backbone interact. energy: -1.075 local terms energy: -657.788191 where: bonds (distance) C4'-P energy: -107.788 bonds (distance) P-C4' energy: -118.640 flat angles C4'-P-C4' energy: -154.600 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: -194.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1988.105862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.105862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.105862 (E_RNA) where: Base-Base interactions energy: -1387.527 where: short stacking energy: -542.681 Base-Backbone interact. energy: -0.368 local terms energy: -600.211278 where: bonds (distance) C4'-P energy: -105.618 bonds (distance) P-C4' energy: -114.566 flat angles C4'-P-C4' energy: -128.566 flat angles P-C4'-P energy: -90.659 tors. eta vs tors. theta energy: -160.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1951.077580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.077580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.077580 (E_RNA) where: Base-Base interactions energy: -1323.590 where: short stacking energy: -564.439 Base-Backbone interact. energy: 0.955 local terms energy: -628.442589 where: bonds (distance) C4'-P energy: -97.300 bonds (distance) P-C4' energy: -126.289 flat angles C4'-P-C4' energy: -140.730 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -170.277 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: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1727.879247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.879247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.879247 (E_RNA) where: Base-Base interactions energy: -1180.507 where: short stacking energy: -497.248 Base-Backbone interact. energy: 2.839 local terms energy: -550.210870 where: bonds (distance) C4'-P energy: -94.816 bonds (distance) P-C4' energy: -99.907 flat angles C4'-P-C4' energy: -129.716 flat angles P-C4'-P energy: -86.855 tors. eta vs tors. theta energy: -138.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1383.963288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.963288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.963288 (E_RNA) where: Base-Base interactions energy: -915.546 where: short stacking energy: -401.546 Base-Backbone interact. energy: -0.744 local terms energy: -467.673292 where: bonds (distance) C4'-P energy: -100.090 bonds (distance) P-C4' energy: -115.300 flat angles C4'-P-C4' energy: -105.699 flat angles P-C4'-P energy: -70.198 tors. eta vs tors. theta energy: -76.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -902.374769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.374769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.374769 (E_RNA) where: Base-Base interactions energy: -522.079 where: short stacking energy: -246.619 Base-Backbone interact. energy: -2.177 local terms energy: -378.119050 where: bonds (distance) C4'-P energy: -90.579 bonds (distance) P-C4' energy: -128.198 flat angles C4'-P-C4' energy: -90.248 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -10.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2605.614018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.614018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.614018 (E_RNA) where: Base-Base interactions energy: -1837.685 where: short stacking energy: -757.960 Base-Backbone interact. energy: -0.371 local terms energy: -767.558048 where: bonds (distance) C4'-P energy: -137.868 bonds (distance) P-C4' energy: -136.562 flat angles C4'-P-C4' energy: -158.064 flat angles P-C4'-P energy: -103.672 tors. eta vs tors. theta energy: -231.392 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: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2385.770573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.770573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.770573 (E_RNA) where: Base-Base interactions energy: -1672.924 where: short stacking energy: -709.449 Base-Backbone interact. energy: -1.423 local terms energy: -711.423383 where: bonds (distance) C4'-P energy: -133.447 bonds (distance) P-C4' energy: -124.849 flat angles C4'-P-C4' energy: -149.137 flat angles P-C4'-P energy: -100.071 tors. eta vs tors. theta energy: -203.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2383.641703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.641703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.641703 (E_RNA) where: Base-Base interactions energy: -1668.927 where: short stacking energy: -695.306 Base-Backbone interact. energy: 0.280 local terms energy: -714.994443 where: bonds (distance) C4'-P energy: -107.411 bonds (distance) P-C4' energy: -136.581 flat angles C4'-P-C4' energy: -155.825 flat angles P-C4'-P energy: -106.591 tors. eta vs tors. theta energy: -208.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2247.142983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.142983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.142983 (E_RNA) where: Base-Base interactions energy: -1568.431 where: short stacking energy: -683.831 Base-Backbone interact. energy: 0.437 local terms energy: -679.148378 where: bonds (distance) C4'-P energy: -118.464 bonds (distance) P-C4' energy: -122.404 flat angles C4'-P-C4' energy: -150.556 flat angles P-C4'-P energy: -86.798 tors. eta vs tors. theta energy: -200.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2180.758911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.758911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.758911 (E_RNA) where: Base-Base interactions energy: -1495.482 where: short stacking energy: -677.065 Base-Backbone interact. energy: -0.575 local terms energy: -684.701706 where: bonds (distance) C4'-P energy: -110.379 bonds (distance) P-C4' energy: -119.914 flat angles C4'-P-C4' energy: -149.852 flat angles P-C4'-P energy: -98.262 tors. eta vs tors. theta energy: -206.294 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: 103 Temperature: 1.150000 Total energy: -2057.799331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.799331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.799331 (E_RNA) where: Base-Base interactions energy: -1446.046 where: short stacking energy: -584.698 Base-Backbone interact. energy: -3.990 local terms energy: -607.763575 where: bonds (distance) C4'-P energy: -109.904 bonds (distance) P-C4' energy: -122.747 flat angles C4'-P-C4' energy: -144.914 flat angles P-C4'-P energy: -82.211 tors. eta vs tors. theta energy: -147.988 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: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1924.029914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.029914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.029914 (E_RNA) where: Base-Base interactions energy: -1325.077 where: short stacking energy: -564.085 Base-Backbone interact. energy: 0.965 local terms energy: -599.918346 where: bonds (distance) C4'-P energy: -116.108 bonds (distance) P-C4' energy: -103.031 flat angles C4'-P-C4' energy: -133.816 flat angles P-C4'-P energy: -86.165 tors. eta vs tors. theta energy: -160.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1804.796615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.796615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.796615 (E_RNA) where: Base-Base interactions energy: -1240.370 where: short stacking energy: -520.348 Base-Backbone interact. energy: -1.721 local terms energy: -562.705124 where: bonds (distance) C4'-P energy: -133.755 bonds (distance) P-C4' energy: -84.974 flat angles C4'-P-C4' energy: -131.524 flat angles P-C4'-P energy: -84.334 tors. eta vs tors. theta energy: -128.118 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: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1464.656844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.656844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.656844 (E_RNA) where: Base-Base interactions energy: -968.238 where: short stacking energy: -417.299 Base-Backbone interact. energy: 2.581 local terms energy: -498.999890 where: bonds (distance) C4'-P energy: -101.282 bonds (distance) P-C4' energy: -103.319 flat angles C4'-P-C4' energy: -137.773 flat angles P-C4'-P energy: -65.594 tors. eta vs tors. theta energy: -91.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -855.085825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.085825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.085825 (E_RNA) where: Base-Base interactions energy: -472.091 where: short stacking energy: -218.633 Base-Backbone interact. energy: 1.109 local terms energy: -384.104151 where: bonds (distance) C4'-P energy: -108.963 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -99.357 flat angles P-C4'-P energy: -69.473 tors. eta vs tors. theta energy: 2.651 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: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2591.562385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.562385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.562385 (E_RNA) where: Base-Base interactions energy: -1834.262 where: short stacking energy: -762.599 Base-Backbone interact. energy: 0.530 local terms energy: -757.830209 where: bonds (distance) C4'-P energy: -125.531 bonds (distance) P-C4' energy: -125.276 flat angles C4'-P-C4' energy: -150.714 flat angles P-C4'-P energy: -118.727 tors. eta vs tors. theta energy: -237.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2431.223292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.223292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.223292 (E_RNA) where: Base-Base interactions energy: -1702.938 where: short stacking energy: -718.779 Base-Backbone interact. energy: -2.183 local terms energy: -726.102281 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -123.774 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -111.940 tors. eta vs tors. theta energy: -209.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2354.728864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.728864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.728864 (E_RNA) where: Base-Base interactions energy: -1659.374 where: short stacking energy: -686.520 Base-Backbone interact. energy: -2.599 local terms energy: -692.755698 where: bonds (distance) C4'-P energy: -122.722 bonds (distance) P-C4' energy: -132.065 flat angles C4'-P-C4' energy: -153.044 flat angles P-C4'-P energy: -92.927 tors. eta vs tors. theta energy: -191.997 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: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2280.541253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.541253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.541253 (E_RNA) where: Base-Base interactions energy: -1580.635 where: short stacking energy: -707.979 Base-Backbone interact. energy: 0.515 local terms energy: -700.421270 where: bonds (distance) C4'-P energy: -107.760 bonds (distance) P-C4' energy: -134.623 flat angles C4'-P-C4' energy: -157.841 flat angles P-C4'-P energy: -87.792 tors. eta vs tors. theta energy: -212.406 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: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2191.105496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.105496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.105496 (E_RNA) where: Base-Base interactions energy: -1507.563 where: short stacking energy: -655.207 Base-Backbone interact. energy: -1.177 local terms energy: -682.364891 where: bonds (distance) C4'-P energy: -113.065 bonds (distance) P-C4' energy: -124.005 flat angles C4'-P-C4' energy: -139.739 flat angles P-C4'-P energy: -100.077 tors. eta vs tors. theta energy: -205.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2016.569304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.569304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.569304 (E_RNA) where: Base-Base interactions energy: -1413.134 where: short stacking energy: -576.675 Base-Backbone interact. energy: -4.091 local terms energy: -599.344850 where: bonds (distance) C4'-P energy: -116.676 bonds (distance) P-C4' energy: -112.839 flat angles C4'-P-C4' energy: -130.323 flat angles P-C4'-P energy: -93.645 tors. eta vs tors. theta energy: -145.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1941.692951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.692951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.692951 (E_RNA) where: Base-Base interactions energy: -1330.816 where: short stacking energy: -561.071 Base-Backbone interact. energy: -1.689 local terms energy: -609.187866 where: bonds (distance) C4'-P energy: -118.933 bonds (distance) P-C4' energy: -112.307 flat angles C4'-P-C4' energy: -122.859 flat angles P-C4'-P energy: -87.076 tors. eta vs tors. theta energy: -168.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1796.679756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.679756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.679756 (E_RNA) where: Base-Base interactions energy: -1256.766 where: short stacking energy: -512.842 Base-Backbone interact. energy: -2.420 local terms energy: -537.493659 where: bonds (distance) C4'-P energy: -99.844 bonds (distance) P-C4' energy: -111.029 flat angles C4'-P-C4' energy: -121.988 flat angles P-C4'-P energy: -86.097 tors. eta vs tors. theta energy: -118.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1431.299647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.299647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.299647 (E_RNA) where: Base-Base interactions energy: -940.774 where: short stacking energy: -419.872 Base-Backbone interact. energy: -1.216 local terms energy: -489.309580 where: bonds (distance) C4'-P energy: -92.265 bonds (distance) P-C4' energy: -112.389 flat angles C4'-P-C4' energy: -99.951 flat angles P-C4'-P energy: -80.649 tors. eta vs tors. theta energy: -104.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -883.704142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.704142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.704142 (E_RNA) where: Base-Base interactions energy: -519.025 where: short stacking energy: -255.424 Base-Backbone interact. energy: 4.029 local terms energy: -368.708044 where: bonds (distance) C4'-P energy: -88.791 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -100.681 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -10.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2584.934103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.934103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.934103 (E_RNA) where: Base-Base interactions energy: -1846.330 where: short stacking energy: -788.338 Base-Backbone interact. energy: -2.797 local terms energy: -735.806938 where: bonds (distance) C4'-P energy: -121.609 bonds (distance) P-C4' energy: -128.029 flat angles C4'-P-C4' energy: -156.517 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -229.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2431.252942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.252942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.252942 (E_RNA) where: Base-Base interactions energy: -1712.491 where: short stacking energy: -691.645 Base-Backbone interact. energy: -2.787 local terms energy: -715.974535 where: bonds (distance) C4'-P energy: -127.205 bonds (distance) P-C4' energy: -120.598 flat angles C4'-P-C4' energy: -162.608 flat angles P-C4'-P energy: -107.673 tors. eta vs tors. theta energy: -197.891 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: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2381.581241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.581241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.581241 (E_RNA) where: Base-Base interactions energy: -1660.848 where: short stacking energy: -706.909 Base-Backbone interact. energy: 0.888 local terms energy: -721.621594 where: bonds (distance) C4'-P energy: -128.388 bonds (distance) P-C4' energy: -117.452 flat angles C4'-P-C4' energy: -149.266 flat angles P-C4'-P energy: -108.707 tors. eta vs tors. theta energy: -217.808 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: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2253.538721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.538721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.538721 (E_RNA) where: Base-Base interactions energy: -1563.792 where: short stacking energy: -668.017 Base-Backbone interact. energy: -1.427 local terms energy: -688.319791 where: bonds (distance) C4'-P energy: -117.253 bonds (distance) P-C4' energy: -123.106 flat angles C4'-P-C4' energy: -142.667 flat angles P-C4'-P energy: -103.537 tors. eta vs tors. theta energy: -201.756 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: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2200.914681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.914681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.914681 (E_RNA) where: Base-Base interactions energy: -1498.446 where: short stacking energy: -656.860 Base-Backbone interact. energy: -0.759 local terms energy: -701.709780 where: bonds (distance) C4'-P energy: -123.772 bonds (distance) P-C4' energy: -115.995 flat angles C4'-P-C4' energy: -156.101 flat angles P-C4'-P energy: -102.523 tors. eta vs tors. theta energy: -203.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2010.390828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.390828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.390828 (E_RNA) where: Base-Base interactions energy: -1421.018 where: short stacking energy: -562.121 Base-Backbone interact. energy: -1.953 local terms energy: -587.419710 where: bonds (distance) C4'-P energy: -108.635 bonds (distance) P-C4' energy: -105.324 flat angles C4'-P-C4' energy: -144.817 flat angles P-C4'-P energy: -84.180 tors. eta vs tors. theta energy: -144.464 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: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1973.370776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.370776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.370776 (E_RNA) where: Base-Base interactions energy: -1375.230 where: short stacking energy: -572.265 Base-Backbone interact. energy: 0.035 local terms energy: -598.175098 where: bonds (distance) C4'-P energy: -117.412 bonds (distance) P-C4' energy: -96.306 flat angles C4'-P-C4' energy: -131.871 flat angles P-C4'-P energy: -90.362 tors. eta vs tors. theta energy: -162.224 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: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1774.199766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.199766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.199766 (E_RNA) where: Base-Base interactions energy: -1214.639 where: short stacking energy: -508.310 Base-Backbone interact. energy: -2.119 local terms energy: -557.441970 where: bonds (distance) C4'-P energy: -110.806 bonds (distance) P-C4' energy: -113.191 flat angles C4'-P-C4' energy: -114.450 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -141.434 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: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1437.173674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.173674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.173674 (E_RNA) where: Base-Base interactions energy: -955.350 where: short stacking energy: -420.077 Base-Backbone interact. energy: 4.778 local terms energy: -486.602177 where: bonds (distance) C4'-P energy: -108.266 bonds (distance) P-C4' energy: -103.306 flat angles C4'-P-C4' energy: -113.463 flat angles P-C4'-P energy: -58.119 tors. eta vs tors. theta energy: -103.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -878.195591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.195591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.195591 (E_RNA) where: Base-Base interactions energy: -497.456 where: short stacking energy: -280.079 Base-Backbone interact. energy: -2.052 local terms energy: -378.687760 where: bonds (distance) C4'-P energy: -105.251 bonds (distance) P-C4' energy: -104.640 flat angles C4'-P-C4' energy: -87.917 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -32.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2611.140891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.140891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.140891 (E_RNA) where: Base-Base interactions energy: -1840.489 where: short stacking energy: -775.502 Base-Backbone interact. energy: -0.666 local terms energy: -769.985996 where: bonds (distance) C4'-P energy: -139.595 bonds (distance) P-C4' energy: -133.651 flat angles C4'-P-C4' energy: -150.215 flat angles P-C4'-P energy: -103.059 tors. eta vs tors. theta energy: -243.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2429.295499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.295499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.295499 (E_RNA) where: Base-Base interactions energy: -1718.675 where: short stacking energy: -705.008 Base-Backbone interact. energy: -5.447 local terms energy: -705.174005 where: bonds (distance) C4'-P energy: -113.952 bonds (distance) P-C4' energy: -126.844 flat angles C4'-P-C4' energy: -144.779 flat angles P-C4'-P energy: -114.251 tors. eta vs tors. theta energy: -205.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2393.709950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.709950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.709950 (E_RNA) where: Base-Base interactions energy: -1691.703 where: short stacking energy: -710.303 Base-Backbone interact. energy: -3.728 local terms energy: -698.279280 where: bonds (distance) C4'-P energy: -121.953 bonds (distance) P-C4' energy: -122.741 flat angles C4'-P-C4' energy: -148.488 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -211.206 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: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2257.421694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.421694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.421694 (E_RNA) where: Base-Base interactions energy: -1573.329 where: short stacking energy: -692.814 Base-Backbone interact. energy: -0.261 local terms energy: -683.831565 where: bonds (distance) C4'-P energy: -120.275 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -149.897 flat angles P-C4'-P energy: -93.564 tors. eta vs tors. theta energy: -207.449 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: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2196.694949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.694949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.694949 (E_RNA) where: Base-Base interactions energy: -1509.953 where: short stacking energy: -663.948 Base-Backbone interact. energy: -1.656 local terms energy: -685.086015 where: bonds (distance) C4'-P energy: -101.255 bonds (distance) P-C4' energy: -140.769 flat angles C4'-P-C4' energy: -136.437 flat angles P-C4'-P energy: -96.760 tors. eta vs tors. theta energy: -209.866 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: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2084.589607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.589607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.589607 (E_RNA) where: Base-Base interactions energy: -1460.287 where: short stacking energy: -594.277 Base-Backbone interact. energy: 1.617 local terms energy: -625.920071 where: bonds (distance) C4'-P energy: -98.024 bonds (distance) P-C4' energy: -128.080 flat angles C4'-P-C4' energy: -141.381 flat angles P-C4'-P energy: -91.240 tors. eta vs tors. theta energy: -167.195 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: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1945.342585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.342585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.342585 (E_RNA) where: Base-Base interactions energy: -1358.860 where: short stacking energy: -570.758 Base-Backbone interact. energy: 0.756 local terms energy: -587.239199 where: bonds (distance) C4'-P energy: -100.288 bonds (distance) P-C4' energy: -107.504 flat angles C4'-P-C4' energy: -130.091 flat angles P-C4'-P energy: -93.202 tors. eta vs tors. theta energy: -156.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1798.141220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.141220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.141220 (E_RNA) where: Base-Base interactions energy: -1235.584 where: short stacking energy: -510.598 Base-Backbone interact. energy: -1.606 local terms energy: -560.950906 where: bonds (distance) C4'-P energy: -105.321 bonds (distance) P-C4' energy: -110.905 flat angles C4'-P-C4' energy: -125.734 flat angles P-C4'-P energy: -84.864 tors. eta vs tors. theta energy: -134.127 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: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1414.626553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.626553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.626553 (E_RNA) where: Base-Base interactions energy: -934.987 where: short stacking energy: -382.507 Base-Backbone interact. energy: -1.029 local terms energy: -478.610949 where: bonds (distance) C4'-P energy: -103.838 bonds (distance) P-C4' energy: -114.987 flat angles C4'-P-C4' energy: -101.254 flat angles P-C4'-P energy: -76.808 tors. eta vs tors. theta energy: -81.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -912.001280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.001280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.001280 (E_RNA) where: Base-Base interactions energy: -518.078 where: short stacking energy: -220.523 Base-Backbone interact. energy: -4.124 local terms energy: -389.799381 where: bonds (distance) C4'-P energy: -114.741 bonds (distance) P-C4' energy: -112.156 flat angles C4'-P-C4' energy: -92.785 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: -9.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2585.268234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.268234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.268234 (E_RNA) where: Base-Base interactions energy: -1834.900 where: short stacking energy: -762.618 Base-Backbone interact. energy: -1.156 local terms energy: -749.212328 where: bonds (distance) C4'-P energy: -122.138 bonds (distance) P-C4' energy: -131.924 flat angles C4'-P-C4' energy: -156.428 flat angles P-C4'-P energy: -108.854 tors. eta vs tors. theta energy: -229.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2453.479878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.479878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.479878 (E_RNA) where: Base-Base interactions energy: -1719.250 where: short stacking energy: -717.843 Base-Backbone interact. energy: -2.862 local terms energy: -731.368172 where: bonds (distance) C4'-P energy: -139.475 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -145.507 flat angles P-C4'-P energy: -106.604 tors. eta vs tors. theta energy: -210.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2364.959601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.959601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.959601 (E_RNA) where: Base-Base interactions energy: -1648.566 where: short stacking energy: -692.049 Base-Backbone interact. energy: 1.306 local terms energy: -717.698638 where: bonds (distance) C4'-P energy: -130.422 bonds (distance) P-C4' energy: -127.631 flat angles C4'-P-C4' energy: -146.580 flat angles P-C4'-P energy: -104.187 tors. eta vs tors. theta energy: -208.878 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: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2306.378355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.378355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.378355 (E_RNA) where: Base-Base interactions energy: -1576.910 where: short stacking energy: -681.731 Base-Backbone interact. energy: -2.557 local terms energy: -726.910951 where: bonds (distance) C4'-P energy: -120.875 bonds (distance) P-C4' energy: -132.285 flat angles C4'-P-C4' energy: -158.269 flat angles P-C4'-P energy: -95.612 tors. eta vs tors. theta energy: -219.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2194.597710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.597710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.597710 (E_RNA) where: Base-Base interactions energy: -1524.305 where: short stacking energy: -681.920 Base-Backbone interact. energy: -1.711 local terms energy: -668.581160 where: bonds (distance) C4'-P energy: -119.391 bonds (distance) P-C4' energy: -134.871 flat angles C4'-P-C4' energy: -135.865 flat angles P-C4'-P energy: -78.798 tors. eta vs tors. theta energy: -199.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2040.333407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.333407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.333407 (E_RNA) where: Base-Base interactions energy: -1406.368 where: short stacking energy: -588.076 Base-Backbone interact. energy: -4.112 local terms energy: -629.853148 where: bonds (distance) C4'-P energy: -130.625 bonds (distance) P-C4' energy: -102.536 flat angles C4'-P-C4' energy: -136.629 flat angles P-C4'-P energy: -81.029 tors. eta vs tors. theta energy: -179.035 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: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1979.054500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.054500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.054500 (E_RNA) where: Base-Base interactions energy: -1351.224 where: short stacking energy: -583.569 Base-Backbone interact. energy: -1.145 local terms energy: -626.685496 where: bonds (distance) C4'-P energy: -117.165 bonds (distance) P-C4' energy: -122.483 flat angles C4'-P-C4' energy: -136.262 flat angles P-C4'-P energy: -91.996 tors. eta vs tors. theta energy: -158.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1797.296351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.296351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.296351 (E_RNA) where: Base-Base interactions energy: -1260.967 where: short stacking energy: -536.270 Base-Backbone interact. energy: -1.974 local terms energy: -534.355006 where: bonds (distance) C4'-P energy: -104.184 bonds (distance) P-C4' energy: -109.599 flat angles C4'-P-C4' energy: -118.466 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -135.488 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: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1386.360770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.360770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.360770 (E_RNA) where: Base-Base interactions energy: -908.989 where: short stacking energy: -389.624 Base-Backbone interact. energy: -3.648 local terms energy: -473.723485 where: bonds (distance) C4'-P energy: -105.797 bonds (distance) P-C4' energy: -120.790 flat angles C4'-P-C4' energy: -123.917 flat angles P-C4'-P energy: -49.038 tors. eta vs tors. theta energy: -74.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -918.175861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.175861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.175861 (E_RNA) where: Base-Base interactions energy: -502.552 where: short stacking energy: -257.915 Base-Backbone interact. energy: -2.522 local terms energy: -413.102047 where: bonds (distance) C4'-P energy: -104.783 bonds (distance) P-C4' energy: -100.057 flat angles C4'-P-C4' energy: -112.544 flat angles P-C4'-P energy: -75.326 tors. eta vs tors. theta energy: -20.392 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: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2585.102117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.102117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.102117 (E_RNA) where: Base-Base interactions energy: -1814.553 where: short stacking energy: -758.922 Base-Backbone interact. energy: -1.230 local terms energy: -769.319618 where: bonds (distance) C4'-P energy: -144.193 bonds (distance) P-C4' energy: -128.179 flat angles C4'-P-C4' energy: -155.467 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: -237.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2437.064721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.064721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.064721 (E_RNA) where: Base-Base interactions energy: -1716.006 where: short stacking energy: -721.838 Base-Backbone interact. energy: -1.227 local terms energy: -719.832343 where: bonds (distance) C4'-P energy: -131.668 bonds (distance) P-C4' energy: -123.045 flat angles C4'-P-C4' energy: -147.626 flat angles P-C4'-P energy: -96.194 tors. eta vs tors. theta energy: -221.299 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: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2357.518164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.518164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.518164 (E_RNA) where: Base-Base interactions energy: -1657.468 where: short stacking energy: -717.766 Base-Backbone interact. energy: -2.986 local terms energy: -697.063990 where: bonds (distance) C4'-P energy: -110.296 bonds (distance) P-C4' energy: -125.878 flat angles C4'-P-C4' energy: -147.079 flat angles P-C4'-P energy: -101.807 tors. eta vs tors. theta energy: -212.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2268.493007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.493007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.493007 (E_RNA) where: Base-Base interactions energy: -1567.346 where: short stacking energy: -701.385 Base-Backbone interact. energy: 0.199 local terms energy: -701.346594 where: bonds (distance) C4'-P energy: -120.276 bonds (distance) P-C4' energy: -129.282 flat angles C4'-P-C4' energy: -143.916 flat angles P-C4'-P energy: -101.870 tors. eta vs tors. theta energy: -206.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2171.059014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.059014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.059014 (E_RNA) where: Base-Base interactions energy: -1512.756 where: short stacking energy: -627.855 Base-Backbone interact. energy: -0.786 local terms energy: -657.516653 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -116.722 flat angles C4'-P-C4' energy: -128.722 flat angles P-C4'-P energy: -86.300 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: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2086.406485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.406485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.406485 (E_RNA) where: Base-Base interactions energy: -1451.232 where: short stacking energy: -611.608 Base-Backbone interact. energy: -2.497 local terms energy: -632.678062 where: bonds (distance) C4'-P energy: -104.580 bonds (distance) P-C4' energy: -111.516 flat angles C4'-P-C4' energy: -144.173 flat angles P-C4'-P energy: -99.875 tors. eta vs tors. theta energy: -172.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2000.389206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.389206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.389206 (E_RNA) where: Base-Base interactions energy: -1388.963 where: short stacking energy: -584.671 Base-Backbone interact. energy: -3.968 local terms energy: -607.459060 where: bonds (distance) C4'-P energy: -101.775 bonds (distance) P-C4' energy: -115.112 flat angles C4'-P-C4' energy: -126.138 flat angles P-C4'-P energy: -89.556 tors. eta vs tors. theta energy: -174.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1812.693880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.693880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.693880 (E_RNA) where: Base-Base interactions energy: -1259.122 where: short stacking energy: -548.779 Base-Backbone interact. energy: 4.289 local terms energy: -557.860940 where: bonds (distance) C4'-P energy: -101.507 bonds (distance) P-C4' energy: -111.385 flat angles C4'-P-C4' energy: -123.829 flat angles P-C4'-P energy: -74.436 tors. eta vs tors. theta energy: -146.704 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: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1432.217438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.217438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.217438 (E_RNA) where: Base-Base interactions energy: -940.459 where: short stacking energy: -418.598 Base-Backbone interact. energy: 3.625 local terms energy: -495.383593 where: bonds (distance) C4'-P energy: -112.763 bonds (distance) P-C4' energy: -105.610 flat angles C4'-P-C4' energy: -120.472 flat angles P-C4'-P energy: -73.297 tors. eta vs tors. theta energy: -83.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -902.503808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.503808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.503808 (E_RNA) where: Base-Base interactions energy: -506.915 where: short stacking energy: -268.341 Base-Backbone interact. energy: -2.860 local terms energy: -392.728835 where: bonds (distance) C4'-P energy: -76.755 bonds (distance) P-C4' energy: -103.811 flat angles C4'-P-C4' energy: -111.645 flat angles P-C4'-P energy: -78.257 tors. eta vs tors. theta energy: -22.260 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: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2615.120829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.120829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.120829 (E_RNA) where: Base-Base interactions energy: -1838.561 where: short stacking energy: -777.455 Base-Backbone interact. energy: -1.428 local terms energy: -775.131492 where: bonds (distance) C4'-P energy: -123.578 bonds (distance) P-C4' energy: -142.160 flat angles C4'-P-C4' energy: -164.901 flat angles P-C4'-P energy: -111.765 tors. eta vs tors. theta energy: -232.728 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: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2438.347576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.347576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.347576 (E_RNA) where: Base-Base interactions energy: -1726.180 where: short stacking energy: -718.875 Base-Backbone interact. energy: -0.723 local terms energy: -711.445369 where: bonds (distance) C4'-P energy: -127.773 bonds (distance) P-C4' energy: -134.411 flat angles C4'-P-C4' energy: -150.884 flat angles P-C4'-P energy: -82.858 tors. eta vs tors. theta energy: -215.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2386.127889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.127889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.127889 (E_RNA) where: Base-Base interactions energy: -1676.454 where: short stacking energy: -708.326 Base-Backbone interact. energy: -0.333 local terms energy: -709.340510 where: bonds (distance) C4'-P energy: -122.919 bonds (distance) P-C4' energy: -123.517 flat angles C4'-P-C4' energy: -153.668 flat angles P-C4'-P energy: -99.299 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: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2283.639713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.639713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.639713 (E_RNA) where: Base-Base interactions energy: -1571.248 where: short stacking energy: -675.596 Base-Backbone interact. energy: -2.280 local terms energy: -710.111130 where: bonds (distance) C4'-P energy: -126.761 bonds (distance) P-C4' energy: -117.274 flat angles C4'-P-C4' energy: -148.033 flat angles P-C4'-P energy: -95.368 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: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2187.464332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.464332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.464332 (E_RNA) where: Base-Base interactions energy: -1514.296 where: short stacking energy: -651.327 Base-Backbone interact. energy: -0.762 local terms energy: -672.405941 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -132.392 flat angles C4'-P-C4' energy: -133.949 flat angles P-C4'-P energy: -85.577 tors. eta vs tors. theta energy: -195.891 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: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2122.490828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.490828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.490828 (E_RNA) where: Base-Base interactions energy: -1451.438 where: short stacking energy: -607.138 Base-Backbone interact. energy: -0.305 local terms energy: -670.747387 where: bonds (distance) C4'-P energy: -124.050 bonds (distance) P-C4' energy: -114.174 flat angles C4'-P-C4' energy: -143.686 flat angles P-C4'-P energy: -104.202 tors. eta vs tors. theta energy: -184.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1981.514692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.514692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.514692 (E_RNA) where: Base-Base interactions energy: -1369.261 where: short stacking energy: -600.650 Base-Backbone interact. energy: 0.629 local terms energy: -612.882555 where: bonds (distance) C4'-P energy: -114.646 bonds (distance) P-C4' energy: -105.066 flat angles C4'-P-C4' energy: -136.799 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -177.110 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: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1790.118520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.118520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.118520 (E_RNA) where: Base-Base interactions energy: -1226.753 where: short stacking energy: -524.563 Base-Backbone interact. energy: 2.352 local terms energy: -565.717532 where: bonds (distance) C4'-P energy: -103.427 bonds (distance) P-C4' energy: -113.297 flat angles C4'-P-C4' energy: -123.280 flat angles P-C4'-P energy: -86.222 tors. eta vs tors. theta energy: -139.491 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: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1386.318252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.318252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.318252 (E_RNA) where: Base-Base interactions energy: -907.807 where: short stacking energy: -394.596 Base-Backbone interact. energy: 2.779 local terms energy: -481.289914 where: bonds (distance) C4'-P energy: -116.638 bonds (distance) P-C4' energy: -123.841 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: -68.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -953.288346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.288346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.288346 (E_RNA) where: Base-Base interactions energy: -555.655 where: short stacking energy: -279.838 Base-Backbone interact. energy: -2.145 local terms energy: -395.488272 where: bonds (distance) C4'-P energy: -119.812 bonds (distance) P-C4' energy: -105.368 flat angles C4'-P-C4' energy: -99.054 flat angles P-C4'-P energy: -49.894 tors. eta vs tors. theta energy: -21.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2619.761098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.761098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.761098 (E_RNA) where: Base-Base interactions energy: -1843.569 where: short stacking energy: -790.790 Base-Backbone interact. energy: -0.995 local terms energy: -775.196237 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -122.271 flat angles C4'-P-C4' energy: -167.570 flat angles P-C4'-P energy: -118.701 tors. eta vs tors. theta energy: -242.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2465.365816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.365816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.365816 (E_RNA) where: Base-Base interactions energy: -1745.196 where: short stacking energy: -727.177 Base-Backbone interact. energy: -1.611 local terms energy: -718.558563 where: bonds (distance) C4'-P energy: -130.038 bonds (distance) P-C4' energy: -135.647 flat angles C4'-P-C4' energy: -144.720 flat angles P-C4'-P energy: -98.224 tors. eta vs tors. theta energy: -209.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2361.010097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.010097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.010097 (E_RNA) where: Base-Base interactions energy: -1650.487 where: short stacking energy: -692.664 Base-Backbone interact. energy: -3.922 local terms energy: -706.601553 where: bonds (distance) C4'-P energy: -130.383 bonds (distance) P-C4' energy: -129.293 flat angles C4'-P-C4' energy: -147.078 flat angles P-C4'-P energy: -100.618 tors. eta vs tors. theta energy: -199.228 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: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2243.686088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.686088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.686088 (E_RNA) where: Base-Base interactions energy: -1540.931 where: short stacking energy: -665.880 Base-Backbone interact. energy: -3.218 local terms energy: -699.536424 where: bonds (distance) C4'-P energy: -127.981 bonds (distance) P-C4' energy: -125.172 flat angles C4'-P-C4' energy: -151.973 flat angles P-C4'-P energy: -77.010 tors. eta vs tors. theta energy: -217.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2185.648841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.648841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.648841 (E_RNA) where: Base-Base interactions energy: -1513.363 where: short stacking energy: -638.234 Base-Backbone interact. energy: 2.198 local terms energy: -674.483836 where: bonds (distance) C4'-P energy: -119.568 bonds (distance) P-C4' energy: -123.243 flat angles C4'-P-C4' energy: -148.746 flat angles P-C4'-P energy: -96.877 tors. eta vs tors. theta energy: -186.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2190.000650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.000650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.000650 (E_RNA) where: Base-Base interactions energy: -1526.668 where: short stacking energy: -650.467 Base-Backbone interact. energy: 1.610 local terms energy: -664.942038 where: bonds (distance) C4'-P energy: -125.254 bonds (distance) P-C4' energy: -111.555 flat angles C4'-P-C4' energy: -151.006 flat angles P-C4'-P energy: -84.234 tors. eta vs tors. theta energy: -192.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1865.194137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.194137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.194137 (E_RNA) where: Base-Base interactions energy: -1296.832 where: short stacking energy: -565.462 Base-Backbone interact. energy: 1.535 local terms energy: -569.897785 where: bonds (distance) C4'-P energy: -108.096 bonds (distance) P-C4' energy: -114.612 flat angles C4'-P-C4' energy: -107.066 flat angles P-C4'-P energy: -76.231 tors. eta vs tors. theta energy: -163.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1841.741596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.741596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.741596 (E_RNA) where: Base-Base interactions energy: -1256.077 where: short stacking energy: -530.080 Base-Backbone interact. energy: -3.311 local terms energy: -582.353804 where: bonds (distance) C4'-P energy: -102.777 bonds (distance) P-C4' energy: -108.713 flat angles C4'-P-C4' energy: -134.648 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -143.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1350.971739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.971739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.971739 (E_RNA) where: Base-Base interactions energy: -861.534 where: short stacking energy: -385.526 Base-Backbone interact. energy: 4.848 local terms energy: -494.285916 where: bonds (distance) C4'-P energy: -116.140 bonds (distance) P-C4' energy: -118.821 flat angles C4'-P-C4' energy: -106.041 flat angles P-C4'-P energy: -79.181 tors. eta vs tors. theta energy: -74.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -920.339326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.339326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.339326 (E_RNA) where: Base-Base interactions energy: -544.093 where: short stacking energy: -254.722 Base-Backbone interact. energy: 0.603 local terms energy: -376.849848 where: bonds (distance) C4'-P energy: -78.741 bonds (distance) P-C4' energy: -123.725 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: -13.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2593.063406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.063406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.063406 (E_RNA) where: Base-Base interactions energy: -1791.891 where: short stacking energy: -744.042 Base-Backbone interact. energy: -0.863 local terms energy: -800.309235 where: bonds (distance) C4'-P energy: -139.334 bonds (distance) P-C4' energy: -158.979 flat angles C4'-P-C4' energy: -158.613 flat angles P-C4'-P energy: -108.714 tors. eta vs tors. theta energy: -234.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2448.678641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.678641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.678641 (E_RNA) where: Base-Base interactions energy: -1743.986 where: short stacking energy: -728.636 Base-Backbone interact. energy: -0.257 local terms energy: -704.435200 where: bonds (distance) C4'-P energy: -123.160 bonds (distance) P-C4' energy: -116.994 flat angles C4'-P-C4' energy: -146.919 flat angles P-C4'-P energy: -108.744 tors. eta vs tors. theta energy: -208.618 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: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2400.123013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.123013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.123013 (E_RNA) where: Base-Base interactions energy: -1664.828 where: short stacking energy: -697.165 Base-Backbone interact. energy: -4.314 local terms energy: -730.980674 where: bonds (distance) C4'-P energy: -135.722 bonds (distance) P-C4' energy: -138.283 flat angles C4'-P-C4' energy: -151.766 flat angles P-C4'-P energy: -107.898 tors. eta vs tors. theta energy: -197.312 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2221.018526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.018526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.018526 (E_RNA) where: Base-Base interactions energy: -1529.823 where: short stacking energy: -634.675 Base-Backbone interact. energy: -0.336 local terms energy: -690.859535 where: bonds (distance) C4'-P energy: -119.954 bonds (distance) P-C4' energy: -132.408 flat angles C4'-P-C4' energy: -146.295 flat angles P-C4'-P energy: -98.924 tors. eta vs tors. theta energy: -193.279 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: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2201.321768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.321768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.321768 (E_RNA) where: Base-Base interactions energy: -1515.785 where: short stacking energy: -669.921 Base-Backbone interact. energy: -0.072 local terms energy: -685.464232 where: bonds (distance) C4'-P energy: -112.696 bonds (distance) P-C4' energy: -115.844 flat angles C4'-P-C4' energy: -145.582 flat angles P-C4'-P energy: -98.658 tors. eta vs tors. theta energy: -212.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2214.472082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.472082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.472082 (E_RNA) where: Base-Base interactions energy: -1548.630 where: short stacking energy: -634.887 Base-Backbone interact. energy: 0.156 local terms energy: -665.998707 where: bonds (distance) C4'-P energy: -109.856 bonds (distance) P-C4' energy: -113.044 flat angles C4'-P-C4' energy: -141.740 flat angles P-C4'-P energy: -105.902 tors. eta vs tors. theta energy: -195.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1761.667223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.667223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.667223 (E_RNA) where: Base-Base interactions energy: -1220.047 where: short stacking energy: -504.508 Base-Backbone interact. energy: 2.251 local terms energy: -543.871799 where: bonds (distance) C4'-P energy: -95.306 bonds (distance) P-C4' energy: -123.641 flat angles C4'-P-C4' energy: -122.874 flat angles P-C4'-P energy: -74.772 tors. eta vs tors. theta energy: -127.279 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: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1880.391541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.391541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.391541 (E_RNA) where: Base-Base interactions energy: -1311.226 where: short stacking energy: -532.009 Base-Backbone interact. energy: -3.117 local terms energy: -566.049236 where: bonds (distance) C4'-P energy: -105.961 bonds (distance) P-C4' energy: -100.762 flat angles C4'-P-C4' energy: -130.418 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: -149.176 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: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1417.112748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.112748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.112748 (E_RNA) where: Base-Base interactions energy: -941.130 where: short stacking energy: -416.049 Base-Backbone interact. energy: 2.755 local terms energy: -478.738189 where: bonds (distance) C4'-P energy: -115.031 bonds (distance) P-C4' energy: -101.330 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -78.679 tors. eta vs tors. theta energy: -77.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -923.779355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.779355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.779355 (E_RNA) where: Base-Base interactions energy: -539.694 where: short stacking energy: -257.253 Base-Backbone interact. energy: -1.217 local terms energy: -382.867468 where: bonds (distance) C4'-P energy: -113.565 bonds (distance) P-C4' energy: -95.551 flat angles C4'-P-C4' energy: -90.215 flat angles P-C4'-P energy: -71.013 tors. eta vs tors. theta energy: -12.524 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: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2597.186953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.186953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.186953 (E_RNA) where: Base-Base interactions energy: -1849.996 where: short stacking energy: -792.482 Base-Backbone interact. energy: -2.095 local terms energy: -745.095419 where: bonds (distance) C4'-P energy: -112.025 bonds (distance) P-C4' energy: -133.801 flat angles C4'-P-C4' energy: -158.832 flat angles P-C4'-P energy: -106.871 tors. eta vs tors. theta energy: -233.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2471.159337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.159337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.159337 (E_RNA) where: Base-Base interactions energy: -1727.650 where: short stacking energy: -737.457 Base-Backbone interact. energy: -0.717 local terms energy: -742.792112 where: bonds (distance) C4'-P energy: -122.640 bonds (distance) P-C4' energy: -137.687 flat angles C4'-P-C4' energy: -145.581 flat angles P-C4'-P energy: -119.020 tors. eta vs tors. theta energy: -217.865 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: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2370.930184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.930184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.930184 (E_RNA) where: Base-Base interactions energy: -1655.635 where: short stacking energy: -703.656 Base-Backbone interact. energy: -2.974 local terms energy: -712.321143 where: bonds (distance) C4'-P energy: -116.526 bonds (distance) P-C4' energy: -127.169 flat angles C4'-P-C4' energy: -156.074 flat angles P-C4'-P energy: -98.384 tors. eta vs tors. theta energy: -214.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2237.037721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.037721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.037721 (E_RNA) where: Base-Base interactions energy: -1530.316 where: short stacking energy: -656.745 Base-Backbone interact. energy: -1.435 local terms energy: -705.286154 where: bonds (distance) C4'-P energy: -114.819 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -145.981 flat angles P-C4'-P energy: -104.779 tors. eta vs tors. theta energy: -199.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2269.960422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.960422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.960422 (E_RNA) where: Base-Base interactions energy: -1614.314 where: short stacking energy: -677.524 Base-Backbone interact. energy: -0.114 local terms energy: -655.533019 where: bonds (distance) C4'-P energy: -106.996 bonds (distance) P-C4' energy: -125.945 flat angles C4'-P-C4' energy: -131.051 flat angles P-C4'-P energy: -90.050 tors. eta vs tors. theta energy: -201.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2154.624013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.624013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.624013 (E_RNA) where: Base-Base interactions energy: -1496.925 where: short stacking energy: -654.064 Base-Backbone interact. energy: 0.799 local terms energy: -658.498482 where: bonds (distance) C4'-P energy: -120.247 bonds (distance) P-C4' energy: -110.196 flat angles C4'-P-C4' energy: -141.743 flat angles P-C4'-P energy: -93.628 tors. eta vs tors. theta energy: -192.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1942.134295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.134295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.134295 (E_RNA) where: Base-Base interactions energy: -1355.981 where: short stacking energy: -572.451 Base-Backbone interact. energy: -3.510 local terms energy: -582.642885 where: bonds (distance) C4'-P energy: -107.812 bonds (distance) P-C4' energy: -99.287 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -87.028 tors. eta vs tors. theta energy: -155.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1741.529487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.529487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.529487 (E_RNA) where: Base-Base interactions energy: -1209.493 where: short stacking energy: -485.692 Base-Backbone interact. energy: 1.080 local terms energy: -533.116307 where: bonds (distance) C4'-P energy: -88.408 bonds (distance) P-C4' energy: -111.208 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -89.848 tors. eta vs tors. theta energy: -123.741 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: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1359.082900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.082900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.082900 (E_RNA) where: Base-Base interactions energy: -862.048 where: short stacking energy: -389.148 Base-Backbone interact. energy: 0.300 local terms energy: -497.334483 where: bonds (distance) C4'-P energy: -116.990 bonds (distance) P-C4' energy: -115.829 flat angles C4'-P-C4' energy: -111.834 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: -88.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -937.312067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.312067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.312067 (E_RNA) where: Base-Base interactions energy: -564.069 where: short stacking energy: -275.580 Base-Backbone interact. energy: 2.480 local terms energy: -375.722569 where: bonds (distance) C4'-P energy: -80.602 bonds (distance) P-C4' energy: -114.063 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -56.987 tors. eta vs tors. theta energy: -12.139 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: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2596.438818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.438818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.438818 (E_RNA) where: Base-Base interactions energy: -1820.985 where: short stacking energy: -769.325 Base-Backbone interact. energy: -2.107 local terms energy: -773.347478 where: bonds (distance) C4'-P energy: -131.841 bonds (distance) P-C4' energy: -140.394 flat angles C4'-P-C4' energy: -158.552 flat angles P-C4'-P energy: -112.375 tors. eta vs tors. theta energy: -230.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2446.723731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.723731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.723731 (E_RNA) where: Base-Base interactions energy: -1724.844 where: short stacking energy: -717.764 Base-Backbone interact. energy: -1.754 local terms energy: -720.125297 where: bonds (distance) C4'-P energy: -128.210 bonds (distance) P-C4' energy: -127.400 flat angles C4'-P-C4' energy: -155.065 flat angles P-C4'-P energy: -94.625 tors. eta vs tors. theta energy: -214.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2411.963107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.963107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.963107 (E_RNA) where: Base-Base interactions energy: -1704.796 where: short stacking energy: -729.312 Base-Backbone interact. energy: -0.188 local terms energy: -706.978889 where: bonds (distance) C4'-P energy: -124.273 bonds (distance) P-C4' energy: -109.386 flat angles C4'-P-C4' energy: -154.389 flat angles P-C4'-P energy: -107.241 tors. eta vs tors. theta energy: -211.690 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: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2402.457765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.457765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.457765 (E_RNA) where: Base-Base interactions energy: -1706.276 where: short stacking energy: -704.573 Base-Backbone interact. energy: -2.286 local terms energy: -693.895649 where: bonds (distance) C4'-P energy: -117.255 bonds (distance) P-C4' energy: -106.198 flat angles C4'-P-C4' energy: -154.811 flat angles P-C4'-P energy: -103.992 tors. eta vs tors. theta energy: -211.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2207.673603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.673603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.673603 (E_RNA) where: Base-Base interactions energy: -1507.846 where: short stacking energy: -636.953 Base-Backbone interact. energy: -3.144 local terms energy: -696.684067 where: bonds (distance) C4'-P energy: -129.039 bonds (distance) P-C4' energy: -129.261 flat angles C4'-P-C4' energy: -150.464 flat angles P-C4'-P energy: -91.061 tors. eta vs tors. theta energy: -196.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2088.035768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.035768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.035768 (E_RNA) where: Base-Base interactions energy: -1440.376 where: short stacking energy: -616.417 Base-Backbone interact. energy: -0.498 local terms energy: -647.162122 where: bonds (distance) C4'-P energy: -104.460 bonds (distance) P-C4' energy: -121.005 flat angles C4'-P-C4' energy: -146.015 flat angles P-C4'-P energy: -93.272 tors. eta vs tors. theta energy: -182.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1930.673182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.673182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.673182 (E_RNA) where: Base-Base interactions energy: -1300.384 where: short stacking energy: -552.320 Base-Backbone interact. energy: -2.104 local terms energy: -628.184371 where: bonds (distance) C4'-P energy: -127.682 bonds (distance) P-C4' energy: -126.772 flat angles C4'-P-C4' energy: -120.906 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -171.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1725.121083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.121083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.121083 (E_RNA) where: Base-Base interactions energy: -1187.851 where: short stacking energy: -488.094 Base-Backbone interact. energy: -1.113 local terms energy: -536.156914 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -107.170 flat angles C4'-P-C4' energy: -126.948 flat angles P-C4'-P energy: -69.412 tors. eta vs tors. theta energy: -127.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1448.573456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.573456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.573456 (E_RNA) where: Base-Base interactions energy: -937.166 where: short stacking energy: -413.914 Base-Backbone interact. energy: -0.160 local terms energy: -511.246975 where: bonds (distance) C4'-P energy: -112.749 bonds (distance) P-C4' energy: -106.816 flat angles C4'-P-C4' energy: -122.956 flat angles P-C4'-P energy: -61.104 tors. eta vs tors. theta energy: -107.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -916.862341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.862341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.862341 (E_RNA) where: Base-Base interactions energy: -533.100 where: short stacking energy: -246.694 Base-Backbone interact. energy: 4.525 local terms energy: -388.286819 where: bonds (distance) C4'-P energy: -87.351 bonds (distance) P-C4' energy: -113.711 flat angles C4'-P-C4' energy: -102.384 flat angles P-C4'-P energy: -64.172 tors. eta vs tors. theta energy: -20.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2604.057391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.057391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.057391 (E_RNA) where: Base-Base interactions energy: -1812.382 where: short stacking energy: -752.158 Base-Backbone interact. energy: -2.353 local terms energy: -789.322429 where: bonds (distance) C4'-P energy: -134.975 bonds (distance) P-C4' energy: -150.278 flat angles C4'-P-C4' energy: -157.140 flat angles P-C4'-P energy: -112.345 tors. eta vs tors. theta energy: -234.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2442.205283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.205283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.205283 (E_RNA) where: Base-Base interactions energy: -1687.322 where: short stacking energy: -709.411 Base-Backbone interact. energy: -3.176 local terms energy: -751.707469 where: bonds (distance) C4'-P energy: -124.587 bonds (distance) P-C4' energy: -142.124 flat angles C4'-P-C4' energy: -156.512 flat angles P-C4'-P energy: -115.236 tors. eta vs tors. theta energy: -213.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2410.550661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.550661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.550661 (E_RNA) where: Base-Base interactions energy: -1680.674 where: short stacking energy: -707.013 Base-Backbone interact. energy: -2.678 local terms energy: -727.199566 where: bonds (distance) C4'-P energy: -132.727 bonds (distance) P-C4' energy: -128.611 flat angles C4'-P-C4' energy: -151.635 flat angles P-C4'-P energy: -102.171 tors. eta vs tors. theta energy: -212.056 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: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2356.170440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.170440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.170440 (E_RNA) where: Base-Base interactions energy: -1666.248 where: short stacking energy: -685.558 Base-Backbone interact. energy: -2.816 local terms energy: -687.106238 where: bonds (distance) C4'-P energy: -126.002 bonds (distance) P-C4' energy: -116.359 flat angles C4'-P-C4' energy: -150.461 flat angles P-C4'-P energy: -100.802 tors. eta vs tors. theta energy: -193.482 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: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2230.783599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.783599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.783599 (E_RNA) where: Base-Base interactions energy: -1542.184 where: short stacking energy: -671.307 Base-Backbone interact. energy: -0.383 local terms energy: -688.216670 where: bonds (distance) C4'-P energy: -123.199 bonds (distance) P-C4' energy: -132.728 flat angles C4'-P-C4' energy: -153.361 flat angles P-C4'-P energy: -86.422 tors. eta vs tors. theta energy: -192.507 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: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2121.457994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.457994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.457994 (E_RNA) where: Base-Base interactions energy: -1480.051 where: short stacking energy: -649.629 Base-Backbone interact. energy: -0.547 local terms energy: -640.859420 where: bonds (distance) C4'-P energy: -111.079 bonds (distance) P-C4' energy: -116.761 flat angles C4'-P-C4' energy: -134.666 flat angles P-C4'-P energy: -81.815 tors. eta vs tors. theta energy: -196.538 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: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1989.643510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.643510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.643510 (E_RNA) where: Base-Base interactions energy: -1396.493 where: short stacking energy: -577.959 Base-Backbone interact. energy: -0.635 local terms energy: -592.515407 where: bonds (distance) C4'-P energy: -112.607 bonds (distance) P-C4' energy: -101.381 flat angles C4'-P-C4' energy: -135.824 flat angles P-C4'-P energy: -78.227 tors. eta vs tors. theta energy: -164.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1765.130026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.130026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.130026 (E_RNA) where: Base-Base interactions energy: -1232.151 where: short stacking energy: -520.765 Base-Backbone interact. energy: -1.637 local terms energy: -531.342366 where: bonds (distance) C4'-P energy: -90.966 bonds (distance) P-C4' energy: -104.640 flat angles C4'-P-C4' energy: -128.114 flat angles P-C4'-P energy: -76.591 tors. eta vs tors. theta energy: -131.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1416.765647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.765647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.765647 (E_RNA) where: Base-Base interactions energy: -939.105 where: short stacking energy: -422.145 Base-Backbone interact. energy: -1.486 local terms energy: -476.174082 where: bonds (distance) C4'-P energy: -93.698 bonds (distance) P-C4' energy: -105.222 flat angles C4'-P-C4' energy: -107.417 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -92.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -915.632548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.632548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.632548 (E_RNA) where: Base-Base interactions energy: -540.822 where: short stacking energy: -276.637 Base-Backbone interact. energy: -2.214 local terms energy: -372.596310 where: bonds (distance) C4'-P energy: -96.664 bonds (distance) P-C4' energy: -105.823 flat angles C4'-P-C4' energy: -88.280 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -27.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2620.979051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.979051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.979051 (E_RNA) where: Base-Base interactions energy: -1844.022 where: short stacking energy: -782.645 Base-Backbone interact. energy: -0.150 local terms energy: -776.806780 where: bonds (distance) C4'-P energy: -134.596 bonds (distance) P-C4' energy: -153.773 flat angles C4'-P-C4' energy: -153.202 flat angles P-C4'-P energy: -104.107 tors. eta vs tors. theta energy: -231.128 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: 115 Temperature: 0.950000 Total energy: -2483.719938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.719938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.719938 (E_RNA) where: Base-Base interactions energy: -1744.274 where: short stacking energy: -712.123 Base-Backbone interact. energy: -0.683 local terms energy: -738.762661 where: bonds (distance) C4'-P energy: -118.017 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -155.893 flat angles P-C4'-P energy: -113.015 tors. eta vs tors. theta energy: -225.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2403.069257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.069257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.069257 (E_RNA) where: Base-Base interactions energy: -1682.666 where: short stacking energy: -700.866 Base-Backbone interact. energy: 1.617 local terms energy: -722.019762 where: bonds (distance) C4'-P energy: -130.550 bonds (distance) P-C4' energy: -135.947 flat angles C4'-P-C4' energy: -148.890 flat angles P-C4'-P energy: -98.488 tors. eta vs tors. theta energy: -208.144 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: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2317.483719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.483719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.483719 (E_RNA) where: Base-Base interactions energy: -1636.993 where: short stacking energy: -663.526 Base-Backbone interact. energy: -1.864 local terms energy: -678.627617 where: bonds (distance) C4'-P energy: -117.591 bonds (distance) P-C4' energy: -120.561 flat angles C4'-P-C4' energy: -152.103 flat angles P-C4'-P energy: -96.496 tors. eta vs tors. theta energy: -191.877 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: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2213.835025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.835025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.835025 (E_RNA) where: Base-Base interactions energy: -1539.988 where: short stacking energy: -648.512 Base-Backbone interact. energy: -3.004 local terms energy: -670.842880 where: bonds (distance) C4'-P energy: -122.856 bonds (distance) P-C4' energy: -123.896 flat angles C4'-P-C4' energy: -137.672 flat angles P-C4'-P energy: -88.697 tors. eta vs tors. theta energy: -197.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2072.094748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.094748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.094748 (E_RNA) where: Base-Base interactions energy: -1435.269 where: short stacking energy: -616.957 Base-Backbone interact. energy: -0.897 local terms energy: -635.928593 where: bonds (distance) C4'-P energy: -126.629 bonds (distance) P-C4' energy: -103.342 flat angles C4'-P-C4' energy: -131.187 flat angles P-C4'-P energy: -81.428 tors. eta vs tors. theta energy: -193.344 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: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2067.496087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.496087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.496087 (E_RNA) where: Base-Base interactions energy: -1441.428 where: short stacking energy: -589.314 Base-Backbone interact. energy: -2.937 local terms energy: -623.131710 where: bonds (distance) C4'-P energy: -102.731 bonds (distance) P-C4' energy: -104.674 flat angles C4'-P-C4' energy: -152.389 flat angles P-C4'-P energy: -85.058 tors. eta vs tors. theta energy: -178.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1779.553528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.553528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.553528 (E_RNA) where: Base-Base interactions energy: -1203.548 where: short stacking energy: -508.926 Base-Backbone interact. energy: -4.335 local terms energy: -571.670633 where: bonds (distance) C4'-P energy: -115.515 bonds (distance) P-C4' energy: -107.035 flat angles C4'-P-C4' energy: -142.899 flat angles P-C4'-P energy: -75.093 tors. eta vs tors. theta energy: -131.129 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: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1382.354395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.354395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.354395 (E_RNA) where: Base-Base interactions energy: -918.180 where: short stacking energy: -390.797 Base-Backbone interact. energy: 2.251 local terms energy: -466.425170 where: bonds (distance) C4'-P energy: -98.761 bonds (distance) P-C4' energy: -104.010 flat angles C4'-P-C4' energy: -102.614 flat angles P-C4'-P energy: -73.091 tors. eta vs tors. theta energy: -87.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -931.177860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.177860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.177860 (E_RNA) where: Base-Base interactions energy: -538.571 where: short stacking energy: -276.401 Base-Backbone interact. energy: 1.424 local terms energy: -394.031709 where: bonds (distance) C4'-P energy: -103.831 bonds (distance) P-C4' energy: -106.194 flat angles C4'-P-C4' energy: -76.744 flat angles P-C4'-P energy: -70.811 tors. eta vs tors. theta energy: -36.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2607.219696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.219696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.219696 (E_RNA) where: Base-Base interactions energy: -1827.106 where: short stacking energy: -766.763 Base-Backbone interact. energy: -0.929 local terms energy: -779.184603 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -144.184 flat angles C4'-P-C4' energy: -156.841 flat angles P-C4'-P energy: -114.956 tors. eta vs tors. theta energy: -230.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2502.858742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.858742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.858742 (E_RNA) where: Base-Base interactions energy: -1765.542 where: short stacking energy: -721.888 Base-Backbone interact. energy: 0.200 local terms energy: -737.516479 where: bonds (distance) C4'-P energy: -130.100 bonds (distance) P-C4' energy: -136.053 flat angles C4'-P-C4' energy: -147.865 flat angles P-C4'-P energy: -97.746 tors. eta vs tors. theta energy: -225.752 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: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2362.816199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.816199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.816199 (E_RNA) where: Base-Base interactions energy: -1643.274 where: short stacking energy: -669.668 Base-Backbone interact. energy: -2.908 local terms energy: -716.634630 where: bonds (distance) C4'-P energy: -136.454 bonds (distance) P-C4' energy: -123.777 flat angles C4'-P-C4' energy: -153.366 flat angles P-C4'-P energy: -103.478 tors. eta vs tors. theta energy: -199.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2339.434023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.434023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.434023 (E_RNA) where: Base-Base interactions energy: -1656.691 where: short stacking energy: -702.332 Base-Backbone interact. energy: -3.873 local terms energy: -678.869929 where: bonds (distance) C4'-P energy: -124.003 bonds (distance) P-C4' energy: -118.876 flat angles C4'-P-C4' energy: -134.342 flat angles P-C4'-P energy: -93.796 tors. eta vs tors. theta energy: -207.854 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: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2250.029497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.029497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.029497 (E_RNA) where: Base-Base interactions energy: -1580.213 where: short stacking energy: -691.303 Base-Backbone interact. energy: 0.587 local terms energy: -670.403808 where: bonds (distance) C4'-P energy: -121.074 bonds (distance) P-C4' energy: -99.128 flat angles C4'-P-C4' energy: -146.646 flat angles P-C4'-P energy: -87.282 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: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2032.893647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.893647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.893647 (E_RNA) where: Base-Base interactions energy: -1406.068 where: short stacking energy: -595.056 Base-Backbone interact. energy: -0.407 local terms energy: -626.417887 where: bonds (distance) C4'-P energy: -117.002 bonds (distance) P-C4' energy: -112.007 flat angles C4'-P-C4' energy: -130.084 flat angles P-C4'-P energy: -82.166 tors. eta vs tors. theta energy: -185.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2020.959960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.959960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.959960 (E_RNA) where: Base-Base interactions energy: -1419.584 where: short stacking energy: -585.163 Base-Backbone interact. energy: -1.222 local terms energy: -600.154418 where: bonds (distance) C4'-P energy: -93.013 bonds (distance) P-C4' energy: -120.950 flat angles C4'-P-C4' energy: -138.842 flat angles P-C4'-P energy: -89.174 tors. eta vs tors. theta energy: -158.175 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: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1794.622289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.622289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.622289 (E_RNA) where: Base-Base interactions energy: -1258.489 where: short stacking energy: -511.856 Base-Backbone interact. energy: 1.770 local terms energy: -537.903639 where: bonds (distance) C4'-P energy: -100.096 bonds (distance) P-C4' energy: -118.261 flat angles C4'-P-C4' energy: -109.898 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: -133.648 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: 116 Temperature: 1.300000 Total energy: -1385.950463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.950463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.950463 (E_RNA) where: Base-Base interactions energy: -892.957 where: short stacking energy: -397.520 Base-Backbone interact. energy: -0.449 local terms energy: -492.544647 where: bonds (distance) C4'-P energy: -107.167 bonds (distance) P-C4' energy: -121.087 flat angles C4'-P-C4' energy: -123.322 flat angles P-C4'-P energy: -62.286 tors. eta vs tors. theta energy: -78.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -867.924529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.924529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.924529 (E_RNA) where: Base-Base interactions energy: -515.210 where: short stacking energy: -254.901 Base-Backbone interact. energy: 4.494 local terms energy: -357.209013 where: bonds (distance) C4'-P energy: -96.073 bonds (distance) P-C4' energy: -93.014 flat angles C4'-P-C4' energy: -108.171 flat angles P-C4'-P energy: -55.838 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2626.427326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.427326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.427326 (E_RNA) where: Base-Base interactions energy: -1844.082 where: short stacking energy: -778.473 Base-Backbone interact. energy: -3.382 local terms energy: -778.962460 where: bonds (distance) C4'-P energy: -131.594 bonds (distance) P-C4' energy: -140.731 flat angles C4'-P-C4' energy: -161.197 flat angles P-C4'-P energy: -112.902 tors. eta vs tors. theta energy: -232.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2534.443609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.443609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.443609 (E_RNA) where: Base-Base interactions energy: -1811.289 where: short stacking energy: -751.606 Base-Backbone interact. energy: 1.904 local terms energy: -725.058605 where: bonds (distance) C4'-P energy: -124.378 bonds (distance) P-C4' energy: -110.890 flat angles C4'-P-C4' energy: -156.114 flat angles P-C4'-P energy: -106.510 tors. eta vs tors. theta energy: -227.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2322.186318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.186318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.186318 (E_RNA) where: Base-Base interactions energy: -1600.669 where: short stacking energy: -688.716 Base-Backbone interact. energy: -3.630 local terms energy: -717.887254 where: bonds (distance) C4'-P energy: -131.381 bonds (distance) P-C4' energy: -120.027 flat angles C4'-P-C4' energy: -148.063 flat angles P-C4'-P energy: -108.411 tors. eta vs tors. theta energy: -210.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2255.661756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.661756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.661756 (E_RNA) where: Base-Base interactions energy: -1595.344 where: short stacking energy: -684.079 Base-Backbone interact. energy: -0.553 local terms energy: -659.765649 where: bonds (distance) C4'-P energy: -126.609 bonds (distance) P-C4' energy: -94.038 flat angles C4'-P-C4' energy: -152.542 flat angles P-C4'-P energy: -89.412 tors. eta vs tors. theta energy: -197.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2258.010084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.010084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.010084 (E_RNA) where: Base-Base interactions energy: -1598.076 where: short stacking energy: -657.887 Base-Backbone interact. energy: -4.150 local terms energy: -655.784562 where: bonds (distance) C4'-P energy: -113.550 bonds (distance) P-C4' energy: -126.269 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -94.443 tors. eta vs tors. theta energy: -188.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2120.240396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.240396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.240396 (E_RNA) where: Base-Base interactions energy: -1459.044 where: short stacking energy: -628.027 Base-Backbone interact. energy: -2.709 local terms energy: -658.487616 where: bonds (distance) C4'-P energy: -121.791 bonds (distance) P-C4' energy: -118.199 flat angles C4'-P-C4' energy: -131.133 flat angles P-C4'-P energy: -94.556 tors. eta vs tors. theta energy: -192.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2028.605184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.605184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.605184 (E_RNA) where: Base-Base interactions energy: -1417.075 where: short stacking energy: -593.619 Base-Backbone interact. energy: 1.064 local terms energy: -612.593909 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -114.320 flat angles C4'-P-C4' energy: -132.603 flat angles P-C4'-P energy: -100.046 tors. eta vs tors. theta energy: -171.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1706.457229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.457229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.457229 (E_RNA) where: Base-Base interactions energy: -1170.845 where: short stacking energy: -490.221 Base-Backbone interact. energy: -1.652 local terms energy: -533.960318 where: bonds (distance) C4'-P energy: -107.951 bonds (distance) P-C4' energy: -117.524 flat angles C4'-P-C4' energy: -112.337 flat angles P-C4'-P energy: -64.753 tors. eta vs tors. theta energy: -131.396 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: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1339.628577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.628577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.628577 (E_RNA) where: Base-Base interactions energy: -872.741 where: short stacking energy: -398.129 Base-Backbone interact. energy: 6.699 local terms energy: -473.587223 where: bonds (distance) C4'-P energy: -106.049 bonds (distance) P-C4' energy: -87.607 flat angles C4'-P-C4' energy: -124.000 flat angles P-C4'-P energy: -75.475 tors. eta vs tors. theta energy: -80.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -924.328751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.328751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.328751 (E_RNA) where: Base-Base interactions energy: -551.299 where: short stacking energy: -281.359 Base-Backbone interact. energy: -0.467 local terms energy: -372.562517 where: bonds (distance) C4'-P energy: -84.889 bonds (distance) P-C4' energy: -107.534 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -50.208 tors. eta vs tors. theta energy: -29.266 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: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2617.690538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.690538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.690538 (E_RNA) where: Base-Base interactions energy: -1842.623 where: short stacking energy: -763.481 Base-Backbone interact. energy: -2.175 local terms energy: -772.892276 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -132.763 flat angles C4'-P-C4' energy: -163.907 flat angles P-C4'-P energy: -106.499 tors. eta vs tors. theta energy: -236.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2553.554826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.554826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.554826 (E_RNA) where: Base-Base interactions energy: -1829.665 where: short stacking energy: -751.950 Base-Backbone interact. energy: -1.073 local terms energy: -722.816824 where: bonds (distance) C4'-P energy: -128.695 bonds (distance) P-C4' energy: -128.024 flat angles C4'-P-C4' energy: -142.688 flat angles P-C4'-P energy: -98.790 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: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2371.221566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.221566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.221566 (E_RNA) where: Base-Base interactions energy: -1656.280 where: short stacking energy: -688.122 Base-Backbone interact. energy: 1.041 local terms energy: -715.982579 where: bonds (distance) C4'-P energy: -133.282 bonds (distance) P-C4' energy: -124.657 flat angles C4'-P-C4' energy: -146.549 flat angles P-C4'-P energy: -98.781 tors. eta vs tors. theta energy: -212.715 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: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2258.042508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.042508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.042508 (E_RNA) where: Base-Base interactions energy: -1564.962 where: short stacking energy: -662.993 Base-Backbone interact. energy: -3.882 local terms energy: -689.198190 where: bonds (distance) C4'-P energy: -123.280 bonds (distance) P-C4' energy: -125.307 flat angles C4'-P-C4' energy: -139.759 flat angles P-C4'-P energy: -90.827 tors. eta vs tors. theta energy: -210.025 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: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2238.385636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.385636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.385636 (E_RNA) where: Base-Base interactions energy: -1557.475 where: short stacking energy: -634.997 Base-Backbone interact. energy: -0.456 local terms energy: -680.454962 where: bonds (distance) C4'-P energy: -123.954 bonds (distance) P-C4' energy: -138.556 flat angles C4'-P-C4' energy: -130.134 flat angles P-C4'-P energy: -94.361 tors. eta vs tors. theta energy: -193.450 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: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2013.964943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.964943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.964943 (E_RNA) where: Base-Base interactions energy: -1380.391 where: short stacking energy: -606.019 Base-Backbone interact. energy: -3.514 local terms energy: -630.059411 where: bonds (distance) C4'-P energy: -120.766 bonds (distance) P-C4' energy: -96.348 flat angles C4'-P-C4' energy: -140.053 flat angles P-C4'-P energy: -96.181 tors. eta vs tors. theta energy: -176.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2008.004466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.004466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.004466 (E_RNA) where: Base-Base interactions energy: -1426.167 where: short stacking energy: -586.014 Base-Backbone interact. energy: -1.250 local terms energy: -580.587331 where: bonds (distance) C4'-P energy: -99.856 bonds (distance) P-C4' energy: -94.126 flat angles C4'-P-C4' energy: -131.754 flat angles P-C4'-P energy: -86.172 tors. eta vs tors. theta energy: -168.679 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: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1755.452927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.452927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.452927 (E_RNA) where: Base-Base interactions energy: -1212.956 where: short stacking energy: -526.609 Base-Backbone interact. energy: 1.316 local terms energy: -543.812875 where: bonds (distance) C4'-P energy: -109.614 bonds (distance) P-C4' energy: -105.451 flat angles C4'-P-C4' energy: -116.761 flat angles P-C4'-P energy: -65.857 tors. eta vs tors. theta energy: -146.130 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: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1299.113057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.113057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.113057 (E_RNA) where: Base-Base interactions energy: -821.859 where: short stacking energy: -348.062 Base-Backbone interact. energy: 0.345 local terms energy: -477.598866 where: bonds (distance) C4'-P energy: -112.386 bonds (distance) P-C4' energy: -113.034 flat angles C4'-P-C4' energy: -128.474 flat angles P-C4'-P energy: -69.321 tors. eta vs tors. theta energy: -54.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -960.656094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.656094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.656094 (E_RNA) where: Base-Base interactions energy: -555.450 where: short stacking energy: -270.577 Base-Backbone interact. energy: -1.060 local terms energy: -404.146473 where: bonds (distance) C4'-P energy: -95.288 bonds (distance) P-C4' energy: -114.799 flat angles C4'-P-C4' energy: -107.212 flat angles P-C4'-P energy: -58.095 tors. eta vs tors. theta energy: -28.753 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: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2576.943703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.943703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.943703 (E_RNA) where: Base-Base interactions energy: -1804.006 where: short stacking energy: -758.228 Base-Backbone interact. energy: -3.216 local terms energy: -769.721473 where: bonds (distance) C4'-P energy: -143.211 bonds (distance) P-C4' energy: -130.077 flat angles C4'-P-C4' energy: -153.086 flat angles P-C4'-P energy: -108.813 tors. eta vs tors. theta energy: -234.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2556.853718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.853718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.853718 (E_RNA) where: Base-Base interactions energy: -1829.431 where: short stacking energy: -754.926 Base-Backbone interact. energy: -0.967 local terms energy: -726.456278 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -131.177 flat angles C4'-P-C4' energy: -158.239 flat angles P-C4'-P energy: -88.163 tors. eta vs tors. theta energy: -226.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2358.968501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.968501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.968501 (E_RNA) where: Base-Base interactions energy: -1648.435 where: short stacking energy: -674.282 Base-Backbone interact. energy: 0.125 local terms energy: -710.658497 where: bonds (distance) C4'-P energy: -145.565 bonds (distance) P-C4' energy: -126.713 flat angles C4'-P-C4' energy: -136.728 flat angles P-C4'-P energy: -95.580 tors. eta vs tors. theta energy: -206.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2291.701681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.701681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.701681 (E_RNA) where: Base-Base interactions energy: -1631.567 where: short stacking energy: -670.012 Base-Backbone interact. energy: -2.262 local terms energy: -657.872478 where: bonds (distance) C4'-P energy: -107.565 bonds (distance) P-C4' energy: -124.425 flat angles C4'-P-C4' energy: -148.266 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -188.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2169.027006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.027006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.027006 (E_RNA) where: Base-Base interactions energy: -1517.662 where: short stacking energy: -643.644 Base-Backbone interact. energy: 5.711 local terms energy: -657.075760 where: bonds (distance) C4'-P energy: -125.700 bonds (distance) P-C4' energy: -111.256 flat angles C4'-P-C4' energy: -134.769 flat angles P-C4'-P energy: -99.296 tors. eta vs tors. theta energy: -186.055 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: 8 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2090.476259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.476259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.476259 (E_RNA) where: Base-Base interactions energy: -1485.003 where: short stacking energy: -627.928 Base-Backbone interact. energy: 1.816 local terms energy: -607.289003 where: bonds (distance) C4'-P energy: -115.384 bonds (distance) P-C4' energy: -107.002 flat angles C4'-P-C4' energy: -119.499 flat angles P-C4'-P energy: -87.928 tors. eta vs tors. theta energy: -177.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1956.908258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.908258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.908258 (E_RNA) where: Base-Base interactions energy: -1346.550 where: short stacking energy: -580.964 Base-Backbone interact. energy: -0.477 local terms energy: -609.881182 where: bonds (distance) C4'-P energy: -116.402 bonds (distance) P-C4' energy: -111.516 flat angles C4'-P-C4' energy: -131.224 flat angles P-C4'-P energy: -77.598 tors. eta vs tors. theta energy: -173.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1758.692536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.692536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.692536 (E_RNA) where: Base-Base interactions energy: -1187.131 where: short stacking energy: -509.972 Base-Backbone interact. energy: -2.001 local terms energy: -569.559909 where: bonds (distance) C4'-P energy: -107.672 bonds (distance) P-C4' energy: -100.734 flat angles C4'-P-C4' energy: -116.283 flat angles P-C4'-P energy: -95.852 tors. eta vs tors. theta energy: -149.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1335.689013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.689013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.689013 (E_RNA) where: Base-Base interactions energy: -913.658 where: short stacking energy: -373.587 Base-Backbone interact. energy: -3.152 local terms energy: -418.878922 where: bonds (distance) C4'-P energy: -90.114 bonds (distance) P-C4' energy: -86.981 flat angles C4'-P-C4' energy: -107.716 flat angles P-C4'-P energy: -63.211 tors. eta vs tors. theta energy: -70.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -936.379062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.379062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.379062 (E_RNA) where: Base-Base interactions energy: -533.806 where: short stacking energy: -264.045 Base-Backbone interact. energy: -1.713 local terms energy: -400.859493 where: bonds (distance) C4'-P energy: -105.660 bonds (distance) P-C4' energy: -111.246 flat angles C4'-P-C4' energy: -103.570 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: -31.728 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: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2612.957727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.957727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.957727 (E_RNA) where: Base-Base interactions energy: -1828.993 where: short stacking energy: -764.372 Base-Backbone interact. energy: -0.554 local terms energy: -783.410065 where: bonds (distance) C4'-P energy: -136.078 bonds (distance) P-C4' energy: -147.508 flat angles C4'-P-C4' energy: -151.886 flat angles P-C4'-P energy: -115.435 tors. eta vs tors. theta energy: -232.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2572.543083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.543083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.543083 (E_RNA) where: Base-Base interactions energy: -1822.486 where: short stacking energy: -760.348 Base-Backbone interact. energy: -0.747 local terms energy: -749.309524 where: bonds (distance) C4'-P energy: -132.747 bonds (distance) P-C4' energy: -130.181 flat angles C4'-P-C4' energy: -145.368 flat angles P-C4'-P energy: -109.414 tors. eta vs tors. theta energy: -231.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2353.972919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.972919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.972919 (E_RNA) where: Base-Base interactions energy: -1621.526 where: short stacking energy: -677.547 Base-Backbone interact. energy: -2.635 local terms energy: -729.811151 where: bonds (distance) C4'-P energy: -130.957 bonds (distance) P-C4' energy: -135.801 flat angles C4'-P-C4' energy: -156.354 flat angles P-C4'-P energy: -100.118 tors. eta vs tors. theta energy: -206.581 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: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2314.553156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.553156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.553156 (E_RNA) where: Base-Base interactions energy: -1641.563 where: short stacking energy: -671.882 Base-Backbone interact. energy: -4.050 local terms energy: -668.940184 where: bonds (distance) C4'-P energy: -113.308 bonds (distance) P-C4' energy: -123.351 flat angles C4'-P-C4' energy: -145.973 flat angles P-C4'-P energy: -95.953 tors. eta vs tors. theta energy: -190.355 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: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2150.148871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.148871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.148871 (E_RNA) where: Base-Base interactions energy: -1475.103 where: short stacking energy: -598.420 Base-Backbone interact. energy: -0.965 local terms energy: -674.080552 where: bonds (distance) C4'-P energy: -122.636 bonds (distance) P-C4' energy: -132.736 flat angles C4'-P-C4' energy: -143.020 flat angles P-C4'-P energy: -108.958 tors. eta vs tors. theta energy: -166.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2133.561317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.561317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.561317 (E_RNA) where: Base-Base interactions energy: -1463.227 where: short stacking energy: -609.106 Base-Backbone interact. energy: 0.693 local terms energy: -671.027376 where: bonds (distance) C4'-P energy: -119.736 bonds (distance) P-C4' energy: -123.792 flat angles C4'-P-C4' energy: -137.828 flat angles P-C4'-P energy: -94.134 tors. eta vs tors. theta energy: -195.537 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: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1857.933238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.933238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.933238 (E_RNA) where: Base-Base interactions energy: -1242.803 where: short stacking energy: -531.039 Base-Backbone interact. energy: -2.627 local terms energy: -612.503896 where: bonds (distance) C4'-P energy: -107.755 bonds (distance) P-C4' energy: -130.474 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -69.584 tors. eta vs tors. theta energy: -161.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1768.935687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.935687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.935687 (E_RNA) where: Base-Base interactions energy: -1195.872 where: short stacking energy: -508.809 Base-Backbone interact. energy: -2.848 local terms energy: -570.215352 where: bonds (distance) C4'-P energy: -96.278 bonds (distance) P-C4' energy: -113.922 flat angles C4'-P-C4' energy: -131.516 flat angles P-C4'-P energy: -81.412 tors. eta vs tors. theta energy: -147.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1325.975629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.975629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.975629 (E_RNA) where: Base-Base interactions energy: -864.941 where: short stacking energy: -376.122 Base-Backbone interact. energy: 10.427 local terms energy: -471.462302 where: bonds (distance) C4'-P energy: -96.239 bonds (distance) P-C4' energy: -118.222 flat angles C4'-P-C4' energy: -105.153 flat angles P-C4'-P energy: -64.038 tors. eta vs tors. theta energy: -87.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -900.564543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.564543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.564543 (E_RNA) where: Base-Base interactions energy: -506.701 where: short stacking energy: -236.187 Base-Backbone interact. energy: 5.511 local terms energy: -399.374388 where: bonds (distance) C4'-P energy: -114.376 bonds (distance) P-C4' energy: -121.726 flat angles C4'-P-C4' energy: -97.876 flat angles P-C4'-P energy: -62.567 tors. eta vs tors. theta energy: -2.829 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: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2616.826523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.826523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.826523 (E_RNA) where: Base-Base interactions energy: -1841.474 where: short stacking energy: -778.570 Base-Backbone interact. energy: -0.955 local terms energy: -774.396905 where: bonds (distance) C4'-P energy: -137.574 bonds (distance) P-C4' energy: -135.266 flat angles C4'-P-C4' energy: -157.257 flat angles P-C4'-P energy: -107.747 tors. eta vs tors. theta energy: -236.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2575.551271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.551271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.551271 (E_RNA) where: Base-Base interactions energy: -1809.257 where: short stacking energy: -755.281 Base-Backbone interact. energy: 2.526 local terms energy: -768.820367 where: bonds (distance) C4'-P energy: -123.201 bonds (distance) P-C4' energy: -145.242 flat angles C4'-P-C4' energy: -158.596 flat angles P-C4'-P energy: -112.145 tors. eta vs tors. theta energy: -229.636 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: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2347.636534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.636534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.636534 (E_RNA) where: Base-Base interactions energy: -1647.060 where: short stacking energy: -693.763 Base-Backbone interact. energy: -0.618 local terms energy: -699.958887 where: bonds (distance) C4'-P energy: -122.779 bonds (distance) P-C4' energy: -123.296 flat angles C4'-P-C4' energy: -148.783 flat angles P-C4'-P energy: -97.174 tors. eta vs tors. theta energy: -207.926 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: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2333.457473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.457473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.457473 (E_RNA) where: Base-Base interactions energy: -1671.280 where: short stacking energy: -688.126 Base-Backbone interact. energy: 1.145 local terms energy: -663.323261 where: bonds (distance) C4'-P energy: -101.153 bonds (distance) P-C4' energy: -127.081 flat angles C4'-P-C4' energy: -151.508 flat angles P-C4'-P energy: -90.948 tors. eta vs tors. theta energy: -192.633 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: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2204.424086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.424086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.424086 (E_RNA) where: Base-Base interactions energy: -1533.896 where: short stacking energy: -653.048 Base-Backbone interact. energy: 1.020 local terms energy: -671.548552 where: bonds (distance) C4'-P energy: -121.465 bonds (distance) P-C4' energy: -119.385 flat angles C4'-P-C4' energy: -136.735 flat angles P-C4'-P energy: -91.524 tors. eta vs tors. theta energy: -202.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2120.459451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.459451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.459451 (E_RNA) where: Base-Base interactions energy: -1467.221 where: short stacking energy: -650.861 Base-Backbone interact. energy: -0.584 local terms energy: -652.654831 where: bonds (distance) C4'-P energy: -100.292 bonds (distance) P-C4' energy: -135.343 flat angles C4'-P-C4' energy: -137.796 flat angles P-C4'-P energy: -93.591 tors. eta vs tors. theta energy: -185.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1876.441267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.441267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.441267 (E_RNA) where: Base-Base interactions energy: -1251.407 where: short stacking energy: -569.282 Base-Backbone interact. energy: -1.992 local terms energy: -623.041722 where: bonds (distance) C4'-P energy: -113.910 bonds (distance) P-C4' energy: -119.700 flat angles C4'-P-C4' energy: -140.579 flat angles P-C4'-P energy: -85.517 tors. eta vs tors. theta energy: -163.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1670.230101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.230101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.230101 (E_RNA) where: Base-Base interactions energy: -1142.931 where: short stacking energy: -463.531 Base-Backbone interact. energy: 4.094 local terms energy: -531.393561 where: bonds (distance) C4'-P energy: -103.957 bonds (distance) P-C4' energy: -110.666 flat angles C4'-P-C4' energy: -128.243 flat angles P-C4'-P energy: -80.566 tors. eta vs tors. theta energy: -107.962 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: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1356.936225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.936225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.936225 (E_RNA) where: Base-Base interactions energy: -880.176 where: short stacking energy: -371.783 Base-Backbone interact. energy: 1.530 local terms energy: -478.289880 where: bonds (distance) C4'-P energy: -88.803 bonds (distance) P-C4' energy: -119.639 flat angles C4'-P-C4' energy: -114.559 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -83.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -783.020939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.020939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.020939 (E_RNA) where: Base-Base interactions energy: -372.355 where: short stacking energy: -219.835 Base-Backbone interact. energy: -0.146 local terms energy: -410.519944 where: bonds (distance) C4'-P energy: -98.076 bonds (distance) P-C4' energy: -118.092 flat angles C4'-P-C4' energy: -107.366 flat angles P-C4'-P energy: -59.299 tors. eta vs tors. theta energy: -27.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2637.199349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.199349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.199349 (E_RNA) where: Base-Base interactions energy: -1865.457 where: short stacking energy: -789.251 Base-Backbone interact. energy: -1.609 local terms energy: -770.133769 where: bonds (distance) C4'-P energy: -138.149 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -163.281 flat angles P-C4'-P energy: -102.797 tors. eta vs tors. theta energy: -243.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2564.798642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.798642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.798642 (E_RNA) where: Base-Base interactions energy: -1807.939 where: short stacking energy: -743.867 Base-Backbone interact. energy: -1.535 local terms energy: -755.324475 where: bonds (distance) C4'-P energy: -128.735 bonds (distance) P-C4' energy: -134.050 flat angles C4'-P-C4' energy: -156.145 flat angles P-C4'-P energy: -105.467 tors. eta vs tors. theta energy: -230.927 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: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2381.305664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.305664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.305664 (E_RNA) where: Base-Base interactions energy: -1699.840 where: short stacking energy: -690.081 Base-Backbone interact. energy: 3.732 local terms energy: -685.197943 where: bonds (distance) C4'-P energy: -122.816 bonds (distance) P-C4' energy: -117.423 flat angles C4'-P-C4' energy: -147.518 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -199.701 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: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2270.127739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.127739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.127739 (E_RNA) where: Base-Base interactions energy: -1580.124 where: short stacking energy: -667.610 Base-Backbone interact. energy: -2.618 local terms energy: -687.386346 where: bonds (distance) C4'-P energy: -118.653 bonds (distance) P-C4' energy: -130.246 flat angles C4'-P-C4' energy: -138.013 flat angles P-C4'-P energy: -102.168 tors. eta vs tors. theta energy: -198.308 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: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2239.715770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.715770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.715770 (E_RNA) where: Base-Base interactions energy: -1558.408 where: short stacking energy: -639.338 Base-Backbone interact. energy: 0.965 local terms energy: -682.272151 where: bonds (distance) C4'-P energy: -115.386 bonds (distance) P-C4' energy: -118.981 flat angles C4'-P-C4' energy: -146.393 flat angles P-C4'-P energy: -116.162 tors. eta vs tors. theta energy: -185.350 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: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2096.500901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.500901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.500901 (E_RNA) where: Base-Base interactions energy: -1451.373 where: short stacking energy: -630.003 Base-Backbone interact. energy: -1.093 local terms energy: -644.034673 where: bonds (distance) C4'-P energy: -114.314 bonds (distance) P-C4' energy: -127.903 flat angles C4'-P-C4' energy: -145.161 flat angles P-C4'-P energy: -79.228 tors. eta vs tors. theta energy: -177.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1876.169258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.169258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.169258 (E_RNA) where: Base-Base interactions energy: -1284.743 where: short stacking energy: -554.768 Base-Backbone interact. energy: 3.521 local terms energy: -594.946861 where: bonds (distance) C4'-P energy: -103.582 bonds (distance) P-C4' energy: -118.333 flat angles C4'-P-C4' energy: -123.625 flat angles P-C4'-P energy: -86.900 tors. eta vs tors. theta energy: -162.507 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: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1661.632919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.632919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.632919 (E_RNA) where: Base-Base interactions energy: -1153.564 where: short stacking energy: -477.593 Base-Backbone interact. energy: -2.760 local terms energy: -505.308200 where: bonds (distance) C4'-P energy: -98.914 bonds (distance) P-C4' energy: -103.814 flat angles C4'-P-C4' energy: -121.158 flat angles P-C4'-P energy: -71.907 tors. eta vs tors. theta energy: -109.516 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: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1331.429076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.429076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.429076 (E_RNA) where: Base-Base interactions energy: -853.681 where: short stacking energy: -358.230 Base-Backbone interact. energy: 4.248 local terms energy: -481.996596 where: bonds (distance) C4'-P energy: -93.206 bonds (distance) P-C4' energy: -116.231 flat angles C4'-P-C4' energy: -126.090 flat angles P-C4'-P energy: -73.584 tors. eta vs tors. theta energy: -72.886 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: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -870.280897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.280897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.280897 (E_RNA) where: Base-Base interactions energy: -511.346 where: short stacking energy: -252.937 Base-Backbone interact. energy: -1.666 local terms energy: -357.268879 where: bonds (distance) C4'-P energy: -101.159 bonds (distance) P-C4' energy: -129.720 flat angles C4'-P-C4' energy: -72.978 flat angles P-C4'-P energy: -53.636 tors. eta vs tors. theta energy: 0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2641.174073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.174073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.174073 (E_RNA) where: Base-Base interactions energy: -1869.634 where: short stacking energy: -782.549 Base-Backbone interact. energy: -1.260 local terms energy: -770.280091 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -140.283 flat angles C4'-P-C4' energy: -163.008 flat angles P-C4'-P energy: -113.160 tors. eta vs tors. theta energy: -232.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2524.774936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.774936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.774936 (E_RNA) where: Base-Base interactions energy: -1781.644 where: short stacking energy: -753.293 Base-Backbone interact. energy: -0.456 local terms energy: -742.674345 where: bonds (distance) C4'-P energy: -133.334 bonds (distance) P-C4' energy: -125.616 flat angles C4'-P-C4' energy: -150.863 flat angles P-C4'-P energy: -110.615 tors. eta vs tors. theta energy: -222.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2393.408011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.408011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.408011 (E_RNA) where: Base-Base interactions energy: -1691.783 where: short stacking energy: -675.109 Base-Backbone interact. energy: -0.523 local terms energy: -701.101947 where: bonds (distance) C4'-P energy: -121.769 bonds (distance) P-C4' energy: -129.667 flat angles C4'-P-C4' energy: -151.055 flat angles P-C4'-P energy: -101.826 tors. eta vs tors. theta energy: -196.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2266.817350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.817350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.817350 (E_RNA) where: Base-Base interactions energy: -1596.680 where: short stacking energy: -661.563 Base-Backbone interact. energy: -2.712 local terms energy: -667.425484 where: bonds (distance) C4'-P energy: -122.745 bonds (distance) P-C4' energy: -116.040 flat angles C4'-P-C4' energy: -138.444 flat angles P-C4'-P energy: -91.662 tors. eta vs tors. theta energy: -198.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2211.927139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.927139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.927139 (E_RNA) where: Base-Base interactions energy: -1550.296 where: short stacking energy: -639.969 Base-Backbone interact. energy: 0.134 local terms energy: -661.765543 where: bonds (distance) C4'-P energy: -118.289 bonds (distance) P-C4' energy: -114.575 flat angles C4'-P-C4' energy: -143.776 flat angles P-C4'-P energy: -92.142 tors. eta vs tors. theta energy: -192.983 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: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2064.014690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.014690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.014690 (E_RNA) where: Base-Base interactions energy: -1420.465 where: short stacking energy: -599.997 Base-Backbone interact. energy: -3.068 local terms energy: -640.481568 where: bonds (distance) C4'-P energy: -117.503 bonds (distance) P-C4' energy: -122.229 flat angles C4'-P-C4' energy: -134.788 flat angles P-C4'-P energy: -89.488 tors. eta vs tors. theta energy: -176.474 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: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1873.376314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.376314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.376314 (E_RNA) where: Base-Base interactions energy: -1259.811 where: short stacking energy: -543.891 Base-Backbone interact. energy: 2.625 local terms energy: -616.190045 where: bonds (distance) C4'-P energy: -116.891 bonds (distance) P-C4' energy: -113.710 flat angles C4'-P-C4' energy: -146.073 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -150.402 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1641.522016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.522016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.522016 (E_RNA) where: Base-Base interactions energy: -1132.890 where: short stacking energy: -495.916 Base-Backbone interact. energy: -2.374 local terms energy: -506.257743 where: bonds (distance) C4'-P energy: -105.423 bonds (distance) P-C4' energy: -104.827 flat angles C4'-P-C4' energy: -118.083 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -115.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1371.414950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.414950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.414950 (E_RNA) where: Base-Base interactions energy: -871.106 where: short stacking energy: -394.265 Base-Backbone interact. energy: 4.850 local terms energy: -505.158486 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -116.495 flat angles C4'-P-C4' energy: -118.852 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -91.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -883.421727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.421727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.421727 (E_RNA) where: Base-Base interactions energy: -512.936 where: short stacking energy: -265.684 Base-Backbone interact. energy: 0.113 local terms energy: -370.598173 where: bonds (distance) C4'-P energy: -108.511 bonds (distance) P-C4' energy: -104.092 flat angles C4'-P-C4' energy: -94.491 flat angles P-C4'-P energy: -40.281 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: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2629.776051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.776051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.776051 (E_RNA) where: Base-Base interactions energy: -1860.184 where: short stacking energy: -780.013 Base-Backbone interact. energy: -0.868 local terms energy: -768.724246 where: bonds (distance) C4'-P energy: -128.586 bonds (distance) P-C4' energy: -131.346 flat angles C4'-P-C4' energy: -160.462 flat angles P-C4'-P energy: -110.082 tors. eta vs tors. theta energy: -238.247 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: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2542.697271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.697271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.697271 (E_RNA) where: Base-Base interactions energy: -1802.304 where: short stacking energy: -748.609 Base-Backbone interact. energy: -2.034 local terms energy: -738.358948 where: bonds (distance) C4'-P energy: -121.792 bonds (distance) P-C4' energy: -123.074 flat angles C4'-P-C4' energy: -158.225 flat angles P-C4'-P energy: -105.939 tors. eta vs tors. theta energy: -229.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2390.980075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.980075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.980075 (E_RNA) where: Base-Base interactions energy: -1658.695 where: short stacking energy: -699.019 Base-Backbone interact. energy: -1.135 local terms energy: -731.149692 where: bonds (distance) C4'-P energy: -133.819 bonds (distance) P-C4' energy: -140.962 flat angles C4'-P-C4' energy: -147.865 flat angles P-C4'-P energy: -104.330 tors. eta vs tors. theta energy: -204.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2287.510651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.510651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.510651 (E_RNA) where: Base-Base interactions energy: -1599.117 where: short stacking energy: -676.691 Base-Backbone interact. energy: -0.256 local terms energy: -688.137165 where: bonds (distance) C4'-P energy: -125.639 bonds (distance) P-C4' energy: -128.293 flat angles C4'-P-C4' energy: -141.244 flat angles P-C4'-P energy: -89.533 tors. eta vs tors. theta energy: -203.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2282.866501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.866501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.866501 (E_RNA) where: Base-Base interactions energy: -1579.306 where: short stacking energy: -649.063 Base-Backbone interact. energy: -0.113 local terms energy: -703.446983 where: bonds (distance) C4'-P energy: -122.841 bonds (distance) P-C4' energy: -127.950 flat angles C4'-P-C4' energy: -150.583 flat angles P-C4'-P energy: -95.409 tors. eta vs tors. theta energy: -206.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2004.399045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.399045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.399045 (E_RNA) where: Base-Base interactions energy: -1391.284 where: short stacking energy: -583.866 Base-Backbone interact. energy: -3.415 local terms energy: -609.700182 where: bonds (distance) C4'-P energy: -119.031 bonds (distance) P-C4' energy: -107.836 flat angles C4'-P-C4' energy: -139.550 flat angles P-C4'-P energy: -87.055 tors. eta vs tors. theta energy: -156.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1834.646683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.646683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.646683 (E_RNA) where: Base-Base interactions energy: -1254.084 where: short stacking energy: -566.035 Base-Backbone interact. energy: -0.449 local terms energy: -580.114224 where: bonds (distance) C4'-P energy: -111.674 bonds (distance) P-C4' energy: -115.250 flat angles C4'-P-C4' energy: -128.644 flat angles P-C4'-P energy: -78.854 tors. eta vs tors. theta energy: -145.693 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: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1655.854373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.854373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.854373 (E_RNA) where: Base-Base interactions energy: -1133.882 where: short stacking energy: -483.564 Base-Backbone interact. energy: 1.062 local terms energy: -523.034398 where: bonds (distance) C4'-P energy: -109.440 bonds (distance) P-C4' energy: -120.150 flat angles C4'-P-C4' energy: -103.269 flat angles P-C4'-P energy: -66.524 tors. eta vs tors. theta energy: -123.652 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: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1374.627769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.627769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.627769 (E_RNA) where: Base-Base interactions energy: -899.438 where: short stacking energy: -383.669 Base-Backbone interact. energy: -1.244 local terms energy: -473.945932 where: bonds (distance) C4'-P energy: -102.031 bonds (distance) P-C4' energy: -110.255 flat angles C4'-P-C4' energy: -113.938 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -81.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -888.856021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.856021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.856021 (E_RNA) where: Base-Base interactions energy: -499.046 where: short stacking energy: -266.330 Base-Backbone interact. energy: 7.557 local terms energy: -397.366524 where: bonds (distance) C4'-P energy: -108.964 bonds (distance) P-C4' energy: -104.529 flat angles C4'-P-C4' energy: -90.076 flat angles P-C4'-P energy: -59.663 tors. eta vs tors. theta energy: -34.136 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: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2621.572641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.572641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.572641 (E_RNA) where: Base-Base interactions energy: -1860.107 where: short stacking energy: -769.973 Base-Backbone interact. energy: -1.870 local terms energy: -759.595048 where: bonds (distance) C4'-P energy: -126.180 bonds (distance) P-C4' energy: -141.861 flat angles C4'-P-C4' energy: -147.283 flat angles P-C4'-P energy: -112.520 tors. eta vs tors. theta energy: -231.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2562.926916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.926916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.926916 (E_RNA) where: Base-Base interactions energy: -1806.040 where: short stacking energy: -744.319 Base-Backbone interact. energy: -2.956 local terms energy: -753.931062 where: bonds (distance) C4'-P energy: -136.205 bonds (distance) P-C4' energy: -133.775 flat angles C4'-P-C4' energy: -160.186 flat angles P-C4'-P energy: -97.715 tors. eta vs tors. theta energy: -226.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2391.637200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.637200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.637200 (E_RNA) where: Base-Base interactions energy: -1709.043 where: short stacking energy: -719.781 Base-Backbone interact. energy: -4.401 local terms energy: -678.193789 where: bonds (distance) C4'-P energy: -110.024 bonds (distance) P-C4' energy: -124.664 flat angles C4'-P-C4' energy: -146.346 flat angles P-C4'-P energy: -97.242 tors. eta vs tors. theta energy: -199.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2278.896270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.896270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.896270 (E_RNA) where: Base-Base interactions energy: -1603.417 where: short stacking energy: -675.773 Base-Backbone interact. energy: -2.901 local terms energy: -672.577611 where: bonds (distance) C4'-P energy: -123.076 bonds (distance) P-C4' energy: -120.199 flat angles C4'-P-C4' energy: -129.595 flat angles P-C4'-P energy: -97.417 tors. eta vs tors. theta energy: -202.291 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: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2251.651216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.651216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.651216 (E_RNA) where: Base-Base interactions energy: -1575.566 where: short stacking energy: -647.708 Base-Backbone interact. energy: -3.243 local terms energy: -672.842383 where: bonds (distance) C4'-P energy: -124.292 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -137.081 flat angles P-C4'-P energy: -101.113 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: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2043.073060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.073060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.073060 (E_RNA) where: Base-Base interactions energy: -1406.147 where: short stacking energy: -596.559 Base-Backbone interact. energy: -1.922 local terms energy: -635.004408 where: bonds (distance) C4'-P energy: -107.006 bonds (distance) P-C4' energy: -111.905 flat angles C4'-P-C4' energy: -134.639 flat angles P-C4'-P energy: -90.209 tors. eta vs tors. theta energy: -191.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1925.541110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.541110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.541110 (E_RNA) where: Base-Base interactions energy: -1294.150 where: short stacking energy: -559.266 Base-Backbone interact. energy: 3.605 local terms energy: -634.996070 where: bonds (distance) C4'-P energy: -111.718 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -133.630 flat angles P-C4'-P energy: -88.573 tors. eta vs tors. theta energy: -155.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1596.895064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.895064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.895064 (E_RNA) where: Base-Base interactions energy: -1070.432 where: short stacking energy: -468.108 Base-Backbone interact. energy: -1.623 local terms energy: -524.840661 where: bonds (distance) C4'-P energy: -98.141 bonds (distance) P-C4' energy: -98.301 flat angles C4'-P-C4' energy: -126.474 flat angles P-C4'-P energy: -86.909 tors. eta vs tors. theta energy: -115.016 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: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1350.569229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.569229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.569229 (E_RNA) where: Base-Base interactions energy: -884.186 where: short stacking energy: -384.654 Base-Backbone interact. energy: 1.195 local terms energy: -467.579096 where: bonds (distance) C4'-P energy: -94.366 bonds (distance) P-C4' energy: -127.620 flat angles C4'-P-C4' energy: -99.985 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -77.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -843.024715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.024715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.024715 (E_RNA) where: Base-Base interactions energy: -469.589 where: short stacking energy: -259.800 Base-Backbone interact. energy: 2.957 local terms energy: -376.392674 where: bonds (distance) C4'-P energy: -111.222 bonds (distance) P-C4' energy: -112.238 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -63.052 tors. eta vs tors. theta energy: -16.845 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: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2638.299229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.299229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.299229 (E_RNA) where: Base-Base interactions energy: -1864.335 where: short stacking energy: -774.548 Base-Backbone interact. energy: -1.340 local terms energy: -772.624333 where: bonds (distance) C4'-P energy: -132.840 bonds (distance) P-C4' energy: -130.294 flat angles C4'-P-C4' energy: -159.601 flat angles P-C4'-P energy: -111.737 tors. eta vs tors. theta energy: -238.153 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: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2530.251908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.251908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.251908 (E_RNA) where: Base-Base interactions energy: -1817.060 where: short stacking energy: -753.245 Base-Backbone interact. energy: 2.683 local terms energy: -715.875015 where: bonds (distance) C4'-P energy: -110.827 bonds (distance) P-C4' energy: -138.554 flat angles C4'-P-C4' energy: -140.757 flat angles P-C4'-P energy: -99.815 tors. eta vs tors. theta energy: -225.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2395.138795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.138795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.138795 (E_RNA) where: Base-Base interactions energy: -1708.424 where: short stacking energy: -691.300 Base-Backbone interact. energy: -3.739 local terms energy: -682.975279 where: bonds (distance) C4'-P energy: -135.210 bonds (distance) P-C4' energy: -134.254 flat angles C4'-P-C4' energy: -130.771 flat angles P-C4'-P energy: -78.463 tors. eta vs tors. theta energy: -204.278 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2276.936598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.936598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.936598 (E_RNA) where: Base-Base interactions energy: -1596.777 where: short stacking energy: -663.613 Base-Backbone interact. energy: -2.765 local terms energy: -677.394784 where: bonds (distance) C4'-P energy: -104.298 bonds (distance) P-C4' energy: -139.565 flat angles C4'-P-C4' energy: -148.865 flat angles P-C4'-P energy: -89.749 tors. eta vs tors. theta energy: -194.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2286.009072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.009072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.009072 (E_RNA) where: Base-Base interactions energy: -1605.738 where: short stacking energy: -655.716 Base-Backbone interact. energy: -3.315 local terms energy: -676.956320 where: bonds (distance) C4'-P energy: -116.439 bonds (distance) P-C4' energy: -123.721 flat angles C4'-P-C4' energy: -148.404 flat angles P-C4'-P energy: -96.047 tors. eta vs tors. theta energy: -192.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2049.369648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.369648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.369648 (E_RNA) where: Base-Base interactions energy: -1424.078 where: short stacking energy: -615.428 Base-Backbone interact. energy: -2.477 local terms energy: -622.814648 where: bonds (distance) C4'-P energy: -119.045 bonds (distance) P-C4' energy: -108.900 flat angles C4'-P-C4' energy: -137.198 flat angles P-C4'-P energy: -77.784 tors. eta vs tors. theta energy: -179.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1920.650927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.650927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.650927 (E_RNA) where: Base-Base interactions energy: -1326.485 where: short stacking energy: -574.673 Base-Backbone interact. energy: 1.874 local terms energy: -596.040327 where: bonds (distance) C4'-P energy: -108.768 bonds (distance) P-C4' energy: -102.115 flat angles C4'-P-C4' energy: -126.054 flat angles P-C4'-P energy: -89.818 tors. eta vs tors. theta energy: -169.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1665.879870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.879870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.879870 (E_RNA) where: Base-Base interactions energy: -1092.512 where: short stacking energy: -484.632 Base-Backbone interact. energy: -0.131 local terms energy: -573.236517 where: bonds (distance) C4'-P energy: -128.093 bonds (distance) P-C4' energy: -111.083 flat angles C4'-P-C4' energy: -129.094 flat angles P-C4'-P energy: -78.738 tors. eta vs tors. theta energy: -126.229 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: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1363.311592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.311592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.311592 (E_RNA) where: Base-Base interactions energy: -896.046 where: short stacking energy: -400.680 Base-Backbone interact. energy: -2.608 local terms energy: -464.657708 where: bonds (distance) C4'-P energy: -116.106 bonds (distance) P-C4' energy: -93.427 flat angles C4'-P-C4' energy: -112.388 flat angles P-C4'-P energy: -66.383 tors. eta vs tors. theta energy: -76.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -808.285795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.285795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.285795 (E_RNA) where: Base-Base interactions energy: -427.987 where: short stacking energy: -234.247 Base-Backbone interact. energy: -2.068 local terms energy: -378.231014 where: bonds (distance) C4'-P energy: -101.786 bonds (distance) P-C4' energy: -111.022 flat angles C4'-P-C4' energy: -101.797 flat angles P-C4'-P energy: -65.022 tors. eta vs tors. theta energy: 1.395 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: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2633.888798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.888798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.888798 (E_RNA) where: Base-Base interactions energy: -1840.254 where: short stacking energy: -747.575 Base-Backbone interact. energy: -2.390 local terms energy: -791.244926 where: bonds (distance) C4'-P energy: -133.760 bonds (distance) P-C4' energy: -148.431 flat angles C4'-P-C4' energy: -154.556 flat angles P-C4'-P energy: -119.139 tors. eta vs tors. theta energy: -235.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2540.099743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.099743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.099743 (E_RNA) where: Base-Base interactions energy: -1789.738 where: short stacking energy: -730.342 Base-Backbone interact. energy: -0.453 local terms energy: -749.908294 where: bonds (distance) C4'-P energy: -124.858 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -157.605 flat angles P-C4'-P energy: -114.465 tors. eta vs tors. theta energy: -225.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2413.165176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.165176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.165176 (E_RNA) where: Base-Base interactions energy: -1674.109 where: short stacking energy: -674.267 Base-Backbone interact. energy: -2.330 local terms energy: -736.726040 where: bonds (distance) C4'-P energy: -138.744 bonds (distance) P-C4' energy: -133.376 flat angles C4'-P-C4' energy: -152.000 flat angles P-C4'-P energy: -105.140 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: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2329.375479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.375479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.375479 (E_RNA) where: Base-Base interactions energy: -1666.232 where: short stacking energy: -667.346 Base-Backbone interact. energy: -2.167 local terms energy: -660.975750 where: bonds (distance) C4'-P energy: -106.052 bonds (distance) P-C4' energy: -131.006 flat angles C4'-P-C4' energy: -127.551 flat angles P-C4'-P energy: -99.732 tors. eta vs tors. theta energy: -196.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2249.050871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.050871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.050871 (E_RNA) where: Base-Base interactions energy: -1582.272 where: short stacking energy: -654.297 Base-Backbone interact. energy: -3.856 local terms energy: -662.922671 where: bonds (distance) C4'-P energy: -123.619 bonds (distance) P-C4' energy: -116.545 flat angles C4'-P-C4' energy: -138.340 flat angles P-C4'-P energy: -99.557 tors. eta vs tors. theta energy: -184.861 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: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2100.404889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.404889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.404889 (E_RNA) where: Base-Base interactions energy: -1456.688 where: short stacking energy: -607.182 Base-Backbone interact. energy: -1.123 local terms energy: -642.594698 where: bonds (distance) C4'-P energy: -109.194 bonds (distance) P-C4' energy: -122.690 flat angles C4'-P-C4' energy: -147.952 flat angles P-C4'-P energy: -81.818 tors. eta vs tors. theta energy: -180.940 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: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1896.205725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.205725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.205725 (E_RNA) where: Base-Base interactions energy: -1327.557 where: short stacking energy: -566.600 Base-Backbone interact. energy: -0.284 local terms energy: -568.365210 where: bonds (distance) C4'-P energy: -97.690 bonds (distance) P-C4' energy: -112.567 flat angles C4'-P-C4' energy: -136.139 flat angles P-C4'-P energy: -76.775 tors. eta vs tors. theta energy: -145.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1579.365968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.365968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.365968 (E_RNA) where: Base-Base interactions energy: -1044.369 where: short stacking energy: -435.940 Base-Backbone interact. energy: 2.138 local terms energy: -537.134453 where: bonds (distance) C4'-P energy: -113.342 bonds (distance) P-C4' energy: -123.936 flat angles C4'-P-C4' energy: -127.284 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: -102.065 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: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1339.032724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.032724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.032724 (E_RNA) where: Base-Base interactions energy: -840.456 where: short stacking energy: -372.503 Base-Backbone interact. energy: 4.071 local terms energy: -502.647639 where: bonds (distance) C4'-P energy: -112.311 bonds (distance) P-C4' energy: -122.830 flat angles C4'-P-C4' energy: -105.968 flat angles P-C4'-P energy: -69.865 tors. eta vs tors. theta energy: -91.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -825.691875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.691875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.691875 (E_RNA) where: Base-Base interactions energy: -457.771 where: short stacking energy: -256.762 Base-Backbone interact. energy: 0.774 local terms energy: -368.694991 where: bonds (distance) C4'-P energy: -108.020 bonds (distance) P-C4' energy: -89.915 flat angles C4'-P-C4' energy: -93.113 flat angles P-C4'-P energy: -59.185 tors. eta vs tors. theta energy: -18.461 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: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2642.560571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.560571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.560571 (E_RNA) where: Base-Base interactions energy: -1865.226 where: short stacking energy: -768.506 Base-Backbone interact. energy: -0.441 local terms energy: -776.893752 where: bonds (distance) C4'-P energy: -125.774 bonds (distance) P-C4' energy: -139.044 flat angles C4'-P-C4' energy: -166.670 flat angles P-C4'-P energy: -111.417 tors. eta vs tors. theta energy: -233.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2536.844470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.844470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.844470 (E_RNA) where: Base-Base interactions energy: -1790.285 where: short stacking energy: -739.154 Base-Backbone interact. energy: -1.478 local terms energy: -745.082093 where: bonds (distance) C4'-P energy: -127.439 bonds (distance) P-C4' energy: -131.955 flat angles C4'-P-C4' energy: -157.722 flat angles P-C4'-P energy: -107.338 tors. eta vs tors. theta energy: -220.627 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: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2435.281798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.281798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.281798 (E_RNA) where: Base-Base interactions energy: -1722.739 where: short stacking energy: -712.249 Base-Backbone interact. energy: -1.839 local terms energy: -710.704067 where: bonds (distance) C4'-P energy: -120.628 bonds (distance) P-C4' energy: -123.839 flat angles C4'-P-C4' energy: -151.973 flat angles P-C4'-P energy: -96.245 tors. eta vs tors. theta energy: -218.019 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: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2319.888970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.888970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.888970 (E_RNA) where: Base-Base interactions energy: -1631.634 where: short stacking energy: -692.372 Base-Backbone interact. energy: -2.482 local terms energy: -685.773137 where: bonds (distance) C4'-P energy: -120.298 bonds (distance) P-C4' energy: -136.359 flat angles C4'-P-C4' energy: -149.405 flat angles P-C4'-P energy: -74.229 tors. eta vs tors. theta energy: -205.482 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: 128 Temperature: 1.100000 Total energy: -2212.139688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.139688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.139688 (E_RNA) where: Base-Base interactions energy: -1541.465 where: short stacking energy: -647.060 Base-Backbone interact. energy: -2.370 local terms energy: -668.304384 where: bonds (distance) C4'-P energy: -125.220 bonds (distance) P-C4' energy: -122.927 flat angles C4'-P-C4' energy: -131.685 flat angles P-C4'-P energy: -92.880 tors. eta vs tors. theta energy: -195.592 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: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2062.714261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.714261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.714261 (E_RNA) where: Base-Base interactions energy: -1448.945 where: short stacking energy: -640.720 Base-Backbone interact. energy: 0.860 local terms energy: -614.628915 where: bonds (distance) C4'-P energy: -92.142 bonds (distance) P-C4' energy: -121.120 flat angles C4'-P-C4' energy: -131.803 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -183.103 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: 128 Temperature: 1.200000 Total energy: -1824.490871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.490871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.490871 (E_RNA) where: Base-Base interactions energy: -1253.286 where: short stacking energy: -526.770 Base-Backbone interact. energy: 1.504 local terms energy: -572.708657 where: bonds (distance) C4'-P energy: -117.534 bonds (distance) P-C4' energy: -109.336 flat angles C4'-P-C4' energy: -114.469 flat angles P-C4'-P energy: -84.932 tors. eta vs tors. theta energy: -146.439 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: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1703.671736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.671736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.671736 (E_RNA) where: Base-Base interactions energy: -1119.336 where: short stacking energy: -469.176 Base-Backbone interact. energy: 1.525 local terms energy: -585.860463 where: bonds (distance) C4'-P energy: -111.807 bonds (distance) P-C4' energy: -127.037 flat angles C4'-P-C4' energy: -130.343 flat angles P-C4'-P energy: -92.166 tors. eta vs tors. theta energy: -124.507 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1344.021024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.021024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.021024 (E_RNA) where: Base-Base interactions energy: -869.727 where: short stacking energy: -376.945 Base-Backbone interact. energy: 2.424 local terms energy: -476.718583 where: bonds (distance) C4'-P energy: -105.864 bonds (distance) P-C4' energy: -120.977 flat angles C4'-P-C4' energy: -101.176 flat angles P-C4'-P energy: -79.624 tors. eta vs tors. theta energy: -69.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -848.932453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.932453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.932453 (E_RNA) where: Base-Base interactions energy: -494.952 where: short stacking energy: -253.172 Base-Backbone interact. energy: 3.753 local terms energy: -357.733671 where: bonds (distance) C4'-P energy: -99.837 bonds (distance) P-C4' energy: -89.313 flat angles C4'-P-C4' energy: -91.230 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -21.745 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: 129 Temperature: 0.900000 Total energy: -2635.076807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.076807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.076807 (E_RNA) where: Base-Base interactions energy: -1857.408 where: short stacking energy: -775.510 Base-Backbone interact. energy: -2.039 local terms energy: -775.629275 where: bonds (distance) C4'-P energy: -131.245 bonds (distance) P-C4' energy: -138.573 flat angles C4'-P-C4' energy: -159.193 flat angles P-C4'-P energy: -115.408 tors. eta vs tors. theta energy: -231.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2519.046440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.046440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.046440 (E_RNA) where: Base-Base interactions energy: -1772.846 where: short stacking energy: -737.163 Base-Backbone interact. energy: -0.534 local terms energy: -745.666468 where: bonds (distance) C4'-P energy: -121.606 bonds (distance) P-C4' energy: -146.349 flat angles C4'-P-C4' energy: -143.815 flat angles P-C4'-P energy: -104.373 tors. eta vs tors. theta energy: -229.523 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: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2416.800627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.800627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.800627 (E_RNA) where: Base-Base interactions energy: -1706.646 where: short stacking energy: -715.263 Base-Backbone interact. energy: 0.529 local terms energy: -710.683920 where: bonds (distance) C4'-P energy: -123.432 bonds (distance) P-C4' energy: -134.377 flat angles C4'-P-C4' energy: -153.505 flat angles P-C4'-P energy: -94.488 tors. eta vs tors. theta energy: -204.882 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: 4, replica: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2392.474713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.474713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.474713 (E_RNA) where: Base-Base interactions energy: -1656.759 where: short stacking energy: -690.204 Base-Backbone interact. energy: -1.317 local terms energy: -734.398249 where: bonds (distance) C4'-P energy: -126.367 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -155.115 flat angles P-C4'-P energy: -106.431 tors. eta vs tors. theta energy: -214.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2214.744301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.744301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.744301 (E_RNA) where: Base-Base interactions energy: -1555.606 where: short stacking energy: -673.443 Base-Backbone interact. energy: 1.598 local terms energy: -660.736645 where: bonds (distance) C4'-P energy: -112.482 bonds (distance) P-C4' energy: -111.943 flat angles C4'-P-C4' energy: -144.611 flat angles P-C4'-P energy: -98.822 tors. eta vs tors. theta energy: -192.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2018.235682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.235682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.235682 (E_RNA) where: Base-Base interactions energy: -1398.683 where: short stacking energy: -585.627 Base-Backbone interact. energy: -1.180 local terms energy: -618.372610 where: bonds (distance) C4'-P energy: -108.296 bonds (distance) P-C4' energy: -138.573 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -84.967 tors. eta vs tors. theta energy: -170.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1728.748611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.748611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.748611 (E_RNA) where: Base-Base interactions energy: -1145.811 where: short stacking energy: -510.412 Base-Backbone interact. energy: -1.429 local terms energy: -581.508918 where: bonds (distance) C4'-P energy: -106.644 bonds (distance) P-C4' energy: -132.862 flat angles C4'-P-C4' energy: -133.832 flat angles P-C4'-P energy: -74.073 tors. eta vs tors. theta energy: -134.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1637.266233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.266233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.266233 (E_RNA) where: Base-Base interactions energy: -1100.571 where: short stacking energy: -486.223 Base-Backbone interact. energy: 3.170 local terms energy: -539.865121 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -121.575 flat angles P-C4'-P energy: -79.253 tors. eta vs tors. theta energy: -107.842 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: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1353.111132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.111132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.111132 (E_RNA) where: Base-Base interactions energy: -871.462 where: short stacking energy: -375.349 Base-Backbone interact. energy: 6.531 local terms energy: -488.179765 where: bonds (distance) C4'-P energy: -93.405 bonds (distance) P-C4' energy: -137.232 flat angles C4'-P-C4' energy: -106.506 flat angles P-C4'-P energy: -73.705 tors. eta vs tors. theta energy: -77.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -903.089229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.089229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.089229 (E_RNA) where: Base-Base interactions energy: -523.637 where: short stacking energy: -252.891 Base-Backbone interact. energy: 3.094 local terms energy: -382.545760 where: bonds (distance) C4'-P energy: -108.638 bonds (distance) P-C4' energy: -117.551 flat angles C4'-P-C4' energy: -88.278 flat angles P-C4'-P energy: -46.806 tors. eta vs tors. theta energy: -21.274 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: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2642.187308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.187308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.187308 (E_RNA) where: Base-Base interactions energy: -1869.964 where: short stacking energy: -776.857 Base-Backbone interact. energy: -1.825 local terms energy: -770.398493 where: bonds (distance) C4'-P energy: -137.647 bonds (distance) P-C4' energy: -128.931 flat angles C4'-P-C4' energy: -153.712 flat angles P-C4'-P energy: -115.336 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: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2529.957123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.957123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.957123 (E_RNA) where: Base-Base interactions energy: -1783.155 where: short stacking energy: -744.839 Base-Backbone interact. energy: -1.244 local terms energy: -745.558663 where: bonds (distance) C4'-P energy: -142.325 bonds (distance) P-C4' energy: -122.479 flat angles C4'-P-C4' energy: -156.115 flat angles P-C4'-P energy: -106.943 tors. eta vs tors. theta energy: -217.696 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: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2398.810341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.810341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.810341 (E_RNA) where: Base-Base interactions energy: -1683.012 where: short stacking energy: -691.094 Base-Backbone interact. energy: -4.012 local terms energy: -711.785794 where: bonds (distance) C4'-P energy: -125.600 bonds (distance) P-C4' energy: -129.421 flat angles C4'-P-C4' energy: -159.317 flat angles P-C4'-P energy: -94.932 tors. eta vs tors. theta energy: -202.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2394.006420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.006420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.006420 (E_RNA) where: Base-Base interactions energy: -1695.020 where: short stacking energy: -677.207 Base-Backbone interact. energy: -1.817 local terms energy: -697.169345 where: bonds (distance) C4'-P energy: -143.297 bonds (distance) P-C4' energy: -116.584 flat angles C4'-P-C4' energy: -144.481 flat angles P-C4'-P energy: -96.648 tors. eta vs tors. theta energy: -196.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2285.536105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.536105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.536105 (E_RNA) where: Base-Base interactions energy: -1591.676 where: short stacking energy: -657.614 Base-Backbone interact. energy: -0.121 local terms energy: -693.739868 where: bonds (distance) C4'-P energy: -124.454 bonds (distance) P-C4' energy: -127.757 flat angles C4'-P-C4' energy: -142.078 flat angles P-C4'-P energy: -94.537 tors. eta vs tors. theta energy: -204.914 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: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2044.648541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.648541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.648541 (E_RNA) where: Base-Base interactions energy: -1405.481 where: short stacking energy: -619.047 Base-Backbone interact. energy: -2.594 local terms energy: -636.573456 where: bonds (distance) C4'-P energy: -111.496 bonds (distance) P-C4' energy: -122.968 flat angles C4'-P-C4' energy: -116.276 flat angles P-C4'-P energy: -97.811 tors. eta vs tors. theta energy: -188.023 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: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1791.446430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.446430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.446430 (E_RNA) where: Base-Base interactions energy: -1195.034 where: short stacking energy: -518.030 Base-Backbone interact. energy: -2.013 local terms energy: -594.400017 where: bonds (distance) C4'-P energy: -123.647 bonds (distance) P-C4' energy: -123.553 flat angles C4'-P-C4' energy: -129.048 flat angles P-C4'-P energy: -80.490 tors. eta vs tors. theta energy: -137.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1659.582976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.582976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.582976 (E_RNA) where: Base-Base interactions energy: -1123.547 where: short stacking energy: -461.777 Base-Backbone interact. energy: 7.157 local terms energy: -543.192472 where: bonds (distance) C4'-P energy: -105.208 bonds (distance) P-C4' energy: -118.301 flat angles C4'-P-C4' energy: -133.063 flat angles P-C4'-P energy: -83.531 tors. eta vs tors. theta energy: -103.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1368.850552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.850552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.850552 (E_RNA) where: Base-Base interactions energy: -886.136 where: short stacking energy: -401.929 Base-Backbone interact. energy: -3.776 local terms energy: -478.937924 where: bonds (distance) C4'-P energy: -96.619 bonds (distance) P-C4' energy: -114.899 flat angles C4'-P-C4' energy: -116.776 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -80.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -865.389104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.389104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.389104 (E_RNA) where: Base-Base interactions energy: -465.997 where: short stacking energy: -237.630 Base-Backbone interact. energy: 4.178 local terms energy: -403.570328 where: bonds (distance) C4'-P energy: -125.359 bonds (distance) P-C4' energy: -116.400 flat angles C4'-P-C4' energy: -101.593 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: 0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2615.504673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.504673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.504673 (E_RNA) where: Base-Base interactions energy: -1845.802 where: short stacking energy: -779.450 Base-Backbone interact. energy: -2.472 local terms energy: -767.231149 where: bonds (distance) C4'-P energy: -124.457 bonds (distance) P-C4' energy: -131.226 flat angles C4'-P-C4' energy: -167.809 flat angles P-C4'-P energy: -101.896 tors. eta vs tors. theta energy: -241.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2540.795480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.795480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.795480 (E_RNA) where: Base-Base interactions energy: -1791.592 where: short stacking energy: -752.320 Base-Backbone interact. energy: -0.930 local terms energy: -748.273499 where: bonds (distance) C4'-P energy: -118.141 bonds (distance) P-C4' energy: -135.693 flat angles C4'-P-C4' energy: -159.372 flat angles P-C4'-P energy: -98.429 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: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2417.681694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.681694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.681694 (E_RNA) where: Base-Base interactions energy: -1694.625 where: short stacking energy: -686.841 Base-Backbone interact. energy: 3.682 local terms energy: -726.739417 where: bonds (distance) C4'-P energy: -132.743 bonds (distance) P-C4' energy: -136.408 flat angles C4'-P-C4' energy: -153.127 flat angles P-C4'-P energy: -99.345 tors. eta vs tors. theta energy: -205.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2379.083263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.083263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.083263 (E_RNA) where: Base-Base interactions energy: -1697.188 where: short stacking energy: -689.895 Base-Backbone interact. energy: -1.971 local terms energy: -679.924485 where: bonds (distance) C4'-P energy: -108.716 bonds (distance) P-C4' energy: -113.241 flat angles C4'-P-C4' energy: -143.283 flat angles P-C4'-P energy: -103.383 tors. eta vs tors. theta energy: -211.302 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: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2247.811563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.811563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.811563 (E_RNA) where: Base-Base interactions energy: -1561.347 where: short stacking energy: -666.205 Base-Backbone interact. energy: -1.022 local terms energy: -685.442895 where: bonds (distance) C4'-P energy: -112.285 bonds (distance) P-C4' energy: -134.144 flat angles C4'-P-C4' energy: -141.813 flat angles P-C4'-P energy: -101.510 tors. eta vs tors. theta energy: -195.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2109.084415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.084415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.084415 (E_RNA) where: Base-Base interactions energy: -1474.738 where: short stacking energy: -606.420 Base-Backbone interact. energy: -0.556 local terms energy: -633.791117 where: bonds (distance) C4'-P energy: -103.162 bonds (distance) P-C4' energy: -124.981 flat angles C4'-P-C4' energy: -118.936 flat angles P-C4'-P energy: -105.713 tors. eta vs tors. theta energy: -180.999 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: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1782.085653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.085653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.085653 (E_RNA) where: Base-Base interactions energy: -1209.666 where: short stacking energy: -525.608 Base-Backbone interact. energy: -1.863 local terms energy: -570.556270 where: bonds (distance) C4'-P energy: -103.607 bonds (distance) P-C4' energy: -111.321 flat angles C4'-P-C4' energy: -134.512 flat angles P-C4'-P energy: -68.226 tors. eta vs tors. theta energy: -152.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1657.059717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.059717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.059717 (E_RNA) where: Base-Base interactions energy: -1110.879 where: short stacking energy: -476.641 Base-Backbone interact. energy: -1.172 local terms energy: -545.008008 where: bonds (distance) C4'-P energy: -120.383 bonds (distance) P-C4' energy: -105.757 flat angles C4'-P-C4' energy: -122.329 flat angles P-C4'-P energy: -77.245 tors. eta vs tors. theta energy: -119.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1317.105378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.105378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.105378 (E_RNA) where: Base-Base interactions energy: -866.701 where: short stacking energy: -377.878 Base-Backbone interact. energy: -0.047 local terms energy: -450.357753 where: bonds (distance) C4'-P energy: -99.899 bonds (distance) P-C4' energy: -95.527 flat angles C4'-P-C4' energy: -118.215 flat angles P-C4'-P energy: -69.428 tors. eta vs tors. theta energy: -67.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -849.764859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.764859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.764859 (E_RNA) where: Base-Base interactions energy: -501.229 where: short stacking energy: -232.558 Base-Backbone interact. energy: 11.296 local terms energy: -359.831193 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -98.035 flat angles C4'-P-C4' energy: -107.173 flat angles P-C4'-P energy: -41.535 tors. eta vs tors. theta energy: -12.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2611.222340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.222340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.222340 (E_RNA) where: Base-Base interactions energy: -1846.941 where: short stacking energy: -758.593 Base-Backbone interact. energy: -2.034 local terms energy: -762.247262 where: bonds (distance) C4'-P energy: -123.186 bonds (distance) P-C4' energy: -141.247 flat angles C4'-P-C4' energy: -160.036 flat angles P-C4'-P energy: -110.617 tors. eta vs tors. theta energy: -227.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2547.619778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.619778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.619778 (E_RNA) where: Base-Base interactions energy: -1823.388 where: short stacking energy: -774.017 Base-Backbone interact. energy: -1.409 local terms energy: -722.822410 where: bonds (distance) C4'-P energy: -129.790 bonds (distance) P-C4' energy: -116.555 flat angles C4'-P-C4' energy: -146.341 flat angles P-C4'-P energy: -97.257 tors. eta vs tors. theta energy: -232.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2468.452921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.452921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.452921 (E_RNA) where: Base-Base interactions energy: -1733.447 where: short stacking energy: -693.456 Base-Backbone interact. energy: -0.878 local terms energy: -734.127688 where: bonds (distance) C4'-P energy: -123.451 bonds (distance) P-C4' energy: -132.181 flat angles C4'-P-C4' energy: -155.523 flat angles P-C4'-P energy: -111.340 tors. eta vs tors. theta energy: -211.632 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: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2369.712938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.712938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.712938 (E_RNA) where: Base-Base interactions energy: -1671.192 where: short stacking energy: -707.254 Base-Backbone interact. energy: -1.593 local terms energy: -696.927622 where: bonds (distance) C4'-P energy: -121.492 bonds (distance) P-C4' energy: -118.670 flat angles C4'-P-C4' energy: -146.987 flat angles P-C4'-P energy: -105.109 tors. eta vs tors. theta energy: -204.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2233.759797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.759797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.759797 (E_RNA) where: Base-Base interactions energy: -1543.006 where: short stacking energy: -652.038 Base-Backbone interact. energy: 3.579 local terms energy: -694.332606 where: bonds (distance) C4'-P energy: -107.498 bonds (distance) P-C4' energy: -118.441 flat angles C4'-P-C4' energy: -151.636 flat angles P-C4'-P energy: -113.208 tors. eta vs tors. theta energy: -203.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2125.793593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.793593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.793593 (E_RNA) where: Base-Base interactions energy: -1507.827 where: short stacking energy: -636.013 Base-Backbone interact. energy: 0.779 local terms energy: -618.745193 where: bonds (distance) C4'-P energy: -117.187 bonds (distance) P-C4' energy: -109.271 flat angles C4'-P-C4' energy: -135.373 flat angles P-C4'-P energy: -71.590 tors. eta vs tors. theta energy: -185.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1781.130344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.130344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.130344 (E_RNA) where: Base-Base interactions energy: -1196.421 where: short stacking energy: -526.857 Base-Backbone interact. energy: -2.821 local terms energy: -581.888215 where: bonds (distance) C4'-P energy: -125.573 bonds (distance) P-C4' energy: -124.728 flat angles C4'-P-C4' energy: -115.896 flat angles P-C4'-P energy: -92.909 tors. eta vs tors. theta energy: -122.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1711.286926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.286926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.286926 (E_RNA) where: Base-Base interactions energy: -1158.253 where: short stacking energy: -499.312 Base-Backbone interact. energy: -3.369 local terms energy: -549.665001 where: bonds (distance) C4'-P energy: -93.835 bonds (distance) P-C4' energy: -123.903 flat angles C4'-P-C4' energy: -124.837 flat angles P-C4'-P energy: -87.944 tors. eta vs tors. theta energy: -119.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1344.063707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.063707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.063707 (E_RNA) where: Base-Base interactions energy: -871.909 where: short stacking energy: -380.082 Base-Backbone interact. energy: 1.809 local terms energy: -473.964169 where: bonds (distance) C4'-P energy: -107.746 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -116.712 flat angles P-C4'-P energy: -72.179 tors. eta vs tors. theta energy: -60.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -844.393980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.393980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.393980 (E_RNA) where: Base-Base interactions energy: -452.152 where: short stacking energy: -186.843 Base-Backbone interact. energy: 4.808 local terms energy: -397.050475 where: bonds (distance) C4'-P energy: -108.972 bonds (distance) P-C4' energy: -133.688 flat angles C4'-P-C4' energy: -99.857 flat angles P-C4'-P energy: -56.695 tors. eta vs tors. theta energy: 2.162 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: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2604.932755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.932755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.932755 (E_RNA) where: Base-Base interactions energy: -1811.593 where: short stacking energy: -743.753 Base-Backbone interact. energy: -1.927 local terms energy: -791.412486 where: bonds (distance) C4'-P energy: -145.749 bonds (distance) P-C4' energy: -141.612 flat angles C4'-P-C4' energy: -167.471 flat angles P-C4'-P energy: -108.755 tors. eta vs tors. theta energy: -227.825 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: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2517.677114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.677114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.677114 (E_RNA) where: Base-Base interactions energy: -1764.993 where: short stacking energy: -745.745 Base-Backbone interact. energy: -1.136 local terms energy: -751.548196 where: bonds (distance) C4'-P energy: -122.253 bonds (distance) P-C4' energy: -145.679 flat angles C4'-P-C4' energy: -154.867 flat angles P-C4'-P energy: -101.094 tors. eta vs tors. theta energy: -227.655 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: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2469.700328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.700328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.700328 (E_RNA) where: Base-Base interactions energy: -1755.071 where: short stacking energy: -709.721 Base-Backbone interact. energy: -3.855 local terms energy: -710.774421 where: bonds (distance) C4'-P energy: -115.864 bonds (distance) P-C4' energy: -116.267 flat angles C4'-P-C4' energy: -156.447 flat angles P-C4'-P energy: -106.011 tors. eta vs tors. theta energy: -216.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2370.467816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.467816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.467816 (E_RNA) where: Base-Base interactions energy: -1693.941 where: short stacking energy: -722.374 Base-Backbone interact. energy: -3.614 local terms energy: -672.912566 where: bonds (distance) C4'-P energy: -106.417 bonds (distance) P-C4' energy: -115.510 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -93.811 tors. eta vs tors. theta energy: -207.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2242.320398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.320398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.320398 (E_RNA) where: Base-Base interactions energy: -1560.512 where: short stacking energy: -656.465 Base-Backbone interact. energy: -3.037 local terms energy: -678.771511 where: bonds (distance) C4'-P energy: -120.566 bonds (distance) P-C4' energy: -131.953 flat angles C4'-P-C4' energy: -139.474 flat angles P-C4'-P energy: -84.923 tors. eta vs tors. theta energy: -201.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2158.789078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.789078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.789078 (E_RNA) where: Base-Base interactions energy: -1500.764 where: short stacking energy: -636.571 Base-Backbone interact. energy: -2.481 local terms energy: -655.543914 where: bonds (distance) C4'-P energy: -100.866 bonds (distance) P-C4' energy: -131.481 flat angles C4'-P-C4' energy: -140.164 flat angles P-C4'-P energy: -90.356 tors. eta vs tors. theta energy: -192.677 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: 133 Temperature: 1.200000 Total energy: -1725.111333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.111333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.111333 (E_RNA) where: Base-Base interactions energy: -1165.157 where: short stacking energy: -533.885 Base-Backbone interact. energy: -3.163 local terms energy: -556.790847 where: bonds (distance) C4'-P energy: -101.466 bonds (distance) P-C4' energy: -132.214 flat angles C4'-P-C4' energy: -119.862 flat angles P-C4'-P energy: -77.560 tors. eta vs tors. theta energy: -125.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1739.268499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.268499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.268499 (E_RNA) where: Base-Base interactions energy: -1213.360 where: short stacking energy: -483.977 Base-Backbone interact. energy: 3.216 local terms energy: -529.124916 where: bonds (distance) C4'-P energy: -102.739 bonds (distance) P-C4' energy: -122.030 flat angles C4'-P-C4' energy: -107.680 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -126.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1400.331087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.331087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.331087 (E_RNA) where: Base-Base interactions energy: -923.806 where: short stacking energy: -415.888 Base-Backbone interact. energy: -3.509 local terms energy: -473.015934 where: bonds (distance) C4'-P energy: -105.193 bonds (distance) P-C4' energy: -98.830 flat angles C4'-P-C4' energy: -126.460 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -81.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -871.296643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.296643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.296643 (E_RNA) where: Base-Base interactions energy: -505.519 where: short stacking energy: -223.498 Base-Backbone interact. energy: 5.214 local terms energy: -370.991767 where: bonds (distance) C4'-P energy: -112.148 bonds (distance) P-C4' energy: -119.468 flat angles C4'-P-C4' energy: -76.420 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2639.150326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.150326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.150326 (E_RNA) where: Base-Base interactions energy: -1872.783 where: short stacking energy: -777.009 Base-Backbone interact. energy: -2.021 local terms energy: -764.346066 where: bonds (distance) C4'-P energy: -124.239 bonds (distance) P-C4' energy: -128.724 flat angles C4'-P-C4' energy: -165.825 flat angles P-C4'-P energy: -108.142 tors. eta vs tors. theta energy: -237.417 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: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2533.991236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.991236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.991236 (E_RNA) where: Base-Base interactions energy: -1782.865 where: short stacking energy: -737.706 Base-Backbone interact. energy: -3.242 local terms energy: -747.884679 where: bonds (distance) C4'-P energy: -131.541 bonds (distance) P-C4' energy: -131.085 flat angles C4'-P-C4' energy: -149.396 flat angles P-C4'-P energy: -105.791 tors. eta vs tors. theta energy: -230.071 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: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2491.126651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.126651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.126651 (E_RNA) where: Base-Base interactions energy: -1770.426 where: short stacking energy: -685.126 Base-Backbone interact. energy: -1.214 local terms energy: -719.486882 where: bonds (distance) C4'-P energy: -138.771 bonds (distance) P-C4' energy: -128.249 flat angles C4'-P-C4' energy: -149.662 flat angles P-C4'-P energy: -98.205 tors. eta vs tors. theta energy: -204.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2364.364665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.364665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.364665 (E_RNA) where: Base-Base interactions energy: -1686.916 where: short stacking energy: -706.758 Base-Backbone interact. energy: -2.080 local terms energy: -675.368576 where: bonds (distance) C4'-P energy: -104.938 bonds (distance) P-C4' energy: -125.934 flat angles C4'-P-C4' energy: -148.236 flat angles P-C4'-P energy: -96.717 tors. eta vs tors. theta energy: -199.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2161.947512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.947512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.947512 (E_RNA) where: Base-Base interactions energy: -1489.641 where: short stacking energy: -656.054 Base-Backbone interact. energy: -4.348 local terms energy: -667.958744 where: bonds (distance) C4'-P energy: -124.971 bonds (distance) P-C4' energy: -131.686 flat angles C4'-P-C4' energy: -124.847 flat angles P-C4'-P energy: -94.278 tors. eta vs tors. theta energy: -192.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2071.838722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.838722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.838722 (E_RNA) where: Base-Base interactions energy: -1425.852 where: short stacking energy: -580.278 Base-Backbone interact. energy: -2.050 local terms energy: -643.937143 where: bonds (distance) C4'-P energy: -106.343 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -144.562 flat angles P-C4'-P energy: -93.842 tors. eta vs tors. theta energy: -164.415 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: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1799.876139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.876139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.876139 (E_RNA) where: Base-Base interactions energy: -1206.471 where: short stacking energy: -555.747 Base-Backbone interact. energy: -1.327 local terms energy: -592.078056 where: bonds (distance) C4'-P energy: -101.647 bonds (distance) P-C4' energy: -141.536 flat angles C4'-P-C4' energy: -124.898 flat angles P-C4'-P energy: -84.343 tors. eta vs tors. theta energy: -139.654 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: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1656.573345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.573345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.573345 (E_RNA) where: Base-Base interactions energy: -1122.224 where: short stacking energy: -497.914 Base-Backbone interact. energy: 2.452 local terms energy: -536.801941 where: bonds (distance) C4'-P energy: -117.661 bonds (distance) P-C4' energy: -104.139 flat angles C4'-P-C4' energy: -125.882 flat angles P-C4'-P energy: -68.029 tors. eta vs tors. theta energy: -121.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1394.442912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.442912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.442912 (E_RNA) where: Base-Base interactions energy: -934.296 where: short stacking energy: -430.320 Base-Backbone interact. energy: -0.996 local terms energy: -459.150880 where: bonds (distance) C4'-P energy: -79.357 bonds (distance) P-C4' energy: -108.810 flat angles C4'-P-C4' energy: -116.062 flat angles P-C4'-P energy: -63.461 tors. eta vs tors. theta energy: -91.461 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: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -974.454833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.454833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.454833 (E_RNA) where: Base-Base interactions energy: -546.960 where: short stacking energy: -254.740 Base-Backbone interact. energy: 7.471 local terms energy: -434.966124 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -126.297 flat angles C4'-P-C4' energy: -102.145 flat angles P-C4'-P energy: -68.433 tors. eta vs tors. theta energy: -21.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2641.477715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.477715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.477715 (E_RNA) where: Base-Base interactions energy: -1867.599 where: short stacking energy: -763.812 Base-Backbone interact. energy: 0.167 local terms energy: -774.045570 where: bonds (distance) C4'-P energy: -133.623 bonds (distance) P-C4' energy: -130.677 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -110.189 tors. eta vs tors. theta energy: -240.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2547.948308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.948308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.948308 (E_RNA) where: Base-Base interactions energy: -1802.329 where: short stacking energy: -736.639 Base-Backbone interact. energy: -3.726 local terms energy: -741.892499 where: bonds (distance) C4'-P energy: -133.908 bonds (distance) P-C4' energy: -137.020 flat angles C4'-P-C4' energy: -156.916 flat angles P-C4'-P energy: -91.722 tors. eta vs tors. theta energy: -222.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2536.384247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.384247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.384247 (E_RNA) where: Base-Base interactions energy: -1824.683 where: short stacking energy: -748.421 Base-Backbone interact. energy: -0.359 local terms energy: -711.342852 where: bonds (distance) C4'-P energy: -111.582 bonds (distance) P-C4' energy: -136.633 flat angles C4'-P-C4' energy: -143.618 flat angles P-C4'-P energy: -98.881 tors. eta vs tors. theta energy: -220.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2385.440430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.440430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.440430 (E_RNA) where: Base-Base interactions energy: -1681.326 where: short stacking energy: -708.518 Base-Backbone interact. energy: -1.827 local terms energy: -702.287311 where: bonds (distance) C4'-P energy: -125.438 bonds (distance) P-C4' energy: -127.963 flat angles C4'-P-C4' energy: -140.053 flat angles P-C4'-P energy: -98.574 tors. eta vs tors. theta energy: -210.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2217.877649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.877649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.877649 (E_RNA) where: Base-Base interactions energy: -1555.182 where: short stacking energy: -656.601 Base-Backbone interact. energy: -2.423 local terms energy: -660.272055 where: bonds (distance) C4'-P energy: -120.897 bonds (distance) P-C4' energy: -119.551 flat angles C4'-P-C4' energy: -142.989 flat angles P-C4'-P energy: -81.264 tors. eta vs tors. theta energy: -195.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2048.893315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.893315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.893315 (E_RNA) where: Base-Base interactions energy: -1423.586 where: short stacking energy: -578.585 Base-Backbone interact. energy: -1.045 local terms energy: -624.262400 where: bonds (distance) C4'-P energy: -107.222 bonds (distance) P-C4' energy: -120.986 flat angles C4'-P-C4' energy: -140.596 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -175.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1818.597819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.597819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.597819 (E_RNA) where: Base-Base interactions energy: -1229.296 where: short stacking energy: -557.170 Base-Backbone interact. energy: 0.990 local terms energy: -590.291853 where: bonds (distance) C4'-P energy: -88.229 bonds (distance) P-C4' energy: -123.532 flat angles C4'-P-C4' energy: -129.689 flat angles P-C4'-P energy: -87.304 tors. eta vs tors. theta energy: -161.538 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: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1671.063561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.063561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.063561 (E_RNA) where: Base-Base interactions energy: -1140.098 where: short stacking energy: -475.379 Base-Backbone interact. energy: -2.271 local terms energy: -528.695271 where: bonds (distance) C4'-P energy: -113.656 bonds (distance) P-C4' energy: -106.741 flat angles C4'-P-C4' energy: -116.520 flat angles P-C4'-P energy: -74.368 tors. eta vs tors. theta energy: -117.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1351.357935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.357935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.357935 (E_RNA) where: Base-Base interactions energy: -911.317 where: short stacking energy: -391.776 Base-Backbone interact. energy: -2.211 local terms energy: -437.829605 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -98.333 flat angles C4'-P-C4' energy: -116.796 flat angles P-C4'-P energy: -49.008 tors. eta vs tors. theta energy: -82.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -964.738936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.738936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.738936 (E_RNA) where: Base-Base interactions energy: -553.762 where: short stacking energy: -297.770 Base-Backbone interact. energy: 5.074 local terms energy: -416.050890 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -136.990 flat angles C4'-P-C4' energy: -89.984 flat angles P-C4'-P energy: -52.343 tors. eta vs tors. theta energy: -41.423 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: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2572.452970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.452970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.452970 (E_RNA) where: Base-Base interactions energy: -1819.865 where: short stacking energy: -752.928 Base-Backbone interact. energy: -1.594 local terms energy: -750.993259 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -132.356 flat angles C4'-P-C4' energy: -154.806 flat angles P-C4'-P energy: -103.253 tors. eta vs tors. theta energy: -229.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2591.292589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.292589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.292589 (E_RNA) where: Base-Base interactions energy: -1851.702 where: short stacking energy: -758.353 Base-Backbone interact. energy: 1.342 local terms energy: -740.932669 where: bonds (distance) C4'-P energy: -130.339 bonds (distance) P-C4' energy: -125.900 flat angles C4'-P-C4' energy: -156.923 flat angles P-C4'-P energy: -96.914 tors. eta vs tors. theta energy: -230.857 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: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2555.341003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.341003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.341003 (E_RNA) where: Base-Base interactions energy: -1815.771 where: short stacking energy: -741.486 Base-Backbone interact. energy: 0.825 local terms energy: -740.394221 where: bonds (distance) C4'-P energy: -137.327 bonds (distance) P-C4' energy: -126.713 flat angles C4'-P-C4' energy: -149.531 flat angles P-C4'-P energy: -100.163 tors. eta vs tors. theta energy: -226.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2366.778437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.778437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.778437 (E_RNA) where: Base-Base interactions energy: -1675.463 where: short stacking energy: -711.977 Base-Backbone interact. energy: 0.604 local terms energy: -691.919108 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -150.689 flat angles P-C4'-P energy: -91.718 tors. eta vs tors. theta energy: -207.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2175.704054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.704054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.704054 (E_RNA) where: Base-Base interactions energy: -1486.933 where: short stacking energy: -617.829 Base-Backbone interact. energy: 0.527 local terms energy: -689.298402 where: bonds (distance) C4'-P energy: -128.965 bonds (distance) P-C4' energy: -132.071 flat angles C4'-P-C4' energy: -148.875 flat angles P-C4'-P energy: -90.816 tors. eta vs tors. theta energy: -188.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2056.211802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.211802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.211802 (E_RNA) where: Base-Base interactions energy: -1408.657 where: short stacking energy: -592.079 Base-Backbone interact. energy: -2.346 local terms energy: -645.208131 where: bonds (distance) C4'-P energy: -92.600 bonds (distance) P-C4' energy: -115.624 flat angles C4'-P-C4' energy: -149.242 flat angles P-C4'-P energy: -101.820 tors. eta vs tors. theta energy: -185.924 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: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1818.077367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.077367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.077367 (E_RNA) where: Base-Base interactions energy: -1244.589 where: short stacking energy: -575.301 Base-Backbone interact. energy: 0.613 local terms energy: -574.101194 where: bonds (distance) C4'-P energy: -112.849 bonds (distance) P-C4' energy: -112.930 flat angles C4'-P-C4' energy: -128.737 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -153.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1684.292622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.292622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.292622 (E_RNA) where: Base-Base interactions energy: -1133.846 where: short stacking energy: -481.325 Base-Backbone interact. energy: -2.035 local terms energy: -548.411646 where: bonds (distance) C4'-P energy: -94.082 bonds (distance) P-C4' energy: -119.878 flat angles C4'-P-C4' energy: -138.356 flat angles P-C4'-P energy: -80.171 tors. eta vs tors. theta energy: -115.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1391.578432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.578432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.578432 (E_RNA) where: Base-Base interactions energy: -919.342 where: short stacking energy: -388.235 Base-Backbone interact. energy: -2.212 local terms energy: -470.024284 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -71.546 tors. eta vs tors. theta energy: -82.374 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: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -903.366271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.366271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.366271 (E_RNA) where: Base-Base interactions energy: -501.346 where: short stacking energy: -241.907 Base-Backbone interact. energy: 0.735 local terms energy: -402.755369 where: bonds (distance) C4'-P energy: -111.844 bonds (distance) P-C4' energy: -93.480 flat angles C4'-P-C4' energy: -106.897 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: -34.667 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: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2581.909985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.909985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.909985 (E_RNA) where: Base-Base interactions energy: -1841.752 where: short stacking energy: -767.064 Base-Backbone interact. energy: -2.902 local terms energy: -737.256226 where: bonds (distance) C4'-P energy: -121.938 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -150.042 flat angles P-C4'-P energy: -117.367 tors. eta vs tors. theta energy: -228.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2586.154019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.154019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.154019 (E_RNA) where: Base-Base interactions energy: -1814.329 where: short stacking energy: -746.048 Base-Backbone interact. energy: -1.650 local terms energy: -770.175028 where: bonds (distance) C4'-P energy: -139.542 bonds (distance) P-C4' energy: -136.412 flat angles C4'-P-C4' energy: -162.609 flat angles P-C4'-P energy: -102.442 tors. eta vs tors. theta energy: -229.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2568.684015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.684015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.684015 (E_RNA) where: Base-Base interactions energy: -1829.436 where: short stacking energy: -748.947 Base-Backbone interact. energy: -1.428 local terms energy: -737.819991 where: bonds (distance) C4'-P energy: -127.491 bonds (distance) P-C4' energy: -128.575 flat angles C4'-P-C4' energy: -147.327 flat angles P-C4'-P energy: -102.095 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: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2350.052426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.052426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.052426 (E_RNA) where: Base-Base interactions energy: -1668.593 where: short stacking energy: -698.528 Base-Backbone interact. energy: 0.395 local terms energy: -681.854827 where: bonds (distance) C4'-P energy: -114.567 bonds (distance) P-C4' energy: -109.921 flat angles C4'-P-C4' energy: -154.748 flat angles P-C4'-P energy: -96.956 tors. eta vs tors. theta energy: -205.662 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: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2188.176976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.176976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.176976 (E_RNA) where: Base-Base interactions energy: -1553.234 where: short stacking energy: -662.662 Base-Backbone interact. energy: 3.076 local terms energy: -638.019390 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -101.257 flat angles C4'-P-C4' energy: -131.154 flat angles P-C4'-P energy: -99.919 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: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2109.504549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.504549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.504549 (E_RNA) where: Base-Base interactions energy: -1461.344 where: short stacking energy: -609.865 Base-Backbone interact. energy: -1.819 local terms energy: -646.342113 where: bonds (distance) C4'-P energy: -112.994 bonds (distance) P-C4' energy: -122.196 flat angles C4'-P-C4' energy: -139.119 flat angles P-C4'-P energy: -91.936 tors. eta vs tors. theta energy: -180.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1794.819375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.819375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.819375 (E_RNA) where: Base-Base interactions energy: -1216.435 where: short stacking energy: -578.549 Base-Backbone interact. energy: -0.834 local terms energy: -577.549986 where: bonds (distance) C4'-P energy: -104.906 bonds (distance) P-C4' energy: -101.671 flat angles C4'-P-C4' energy: -131.906 flat angles P-C4'-P energy: -75.376 tors. eta vs tors. theta energy: -163.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1680.057754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.057754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.057754 (E_RNA) where: Base-Base interactions energy: -1123.389 where: short stacking energy: -466.441 Base-Backbone interact. energy: -3.633 local terms energy: -553.035567 where: bonds (distance) C4'-P energy: -119.329 bonds (distance) P-C4' energy: -109.688 flat angles C4'-P-C4' energy: -129.984 flat angles P-C4'-P energy: -84.733 tors. eta vs tors. theta energy: -109.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1388.797682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.797682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.797682 (E_RNA) where: Base-Base interactions energy: -931.390 where: short stacking energy: -397.953 Base-Backbone interact. energy: -3.527 local terms energy: -453.880358 where: bonds (distance) C4'-P energy: -95.910 bonds (distance) P-C4' energy: -108.734 flat angles C4'-P-C4' energy: -115.073 flat angles P-C4'-P energy: -65.564 tors. eta vs tors. theta energy: -68.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -848.476598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.476598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.476598 (E_RNA) where: Base-Base interactions energy: -445.943 where: short stacking energy: -237.311 Base-Backbone interact. energy: -0.550 local terms energy: -401.983650 where: bonds (distance) C4'-P energy: -108.940 bonds (distance) P-C4' energy: -119.422 flat angles C4'-P-C4' energy: -109.017 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -15.183 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: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2621.826746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.826746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.826746 (E_RNA) where: Base-Base interactions energy: -1865.049 where: short stacking energy: -755.687 Base-Backbone interact. energy: 0.856 local terms energy: -757.633497 where: bonds (distance) C4'-P energy: -125.188 bonds (distance) P-C4' energy: -147.183 flat angles C4'-P-C4' energy: -153.450 flat angles P-C4'-P energy: -99.664 tors. eta vs tors. theta energy: -232.148 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: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2581.307788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.307788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.307788 (E_RNA) where: Base-Base interactions energy: -1845.033 where: short stacking energy: -758.030 Base-Backbone interact. energy: -0.561 local terms energy: -735.713811 where: bonds (distance) C4'-P energy: -122.134 bonds (distance) P-C4' energy: -135.824 flat angles C4'-P-C4' energy: -148.605 flat angles P-C4'-P energy: -98.956 tors. eta vs tors. theta energy: -230.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2564.297237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.297237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.297237 (E_RNA) where: Base-Base interactions energy: -1834.220 where: short stacking energy: -764.195 Base-Backbone interact. energy: -1.406 local terms energy: -728.671288 where: bonds (distance) C4'-P energy: -130.604 bonds (distance) P-C4' energy: -122.995 flat angles C4'-P-C4' energy: -147.152 flat angles P-C4'-P energy: -102.508 tors. eta vs tors. theta energy: -225.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2353.935264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.935264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.935264 (E_RNA) where: Base-Base interactions energy: -1636.342 where: short stacking energy: -700.410 Base-Backbone interact. energy: -2.667 local terms energy: -714.926548 where: bonds (distance) C4'-P energy: -121.214 bonds (distance) P-C4' energy: -124.084 flat angles C4'-P-C4' energy: -157.806 flat angles P-C4'-P energy: -98.407 tors. eta vs tors. theta energy: -213.416 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: 138 Temperature: 1.100000 Total energy: -2206.123950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.123950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.123950 (E_RNA) where: Base-Base interactions energy: -1559.976 where: short stacking energy: -642.862 Base-Backbone interact. energy: -4.972 local terms energy: -641.176147 where: bonds (distance) C4'-P energy: -117.217 bonds (distance) P-C4' energy: -96.551 flat angles C4'-P-C4' energy: -152.037 flat angles P-C4'-P energy: -83.572 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: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2113.584657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.584657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.584657 (E_RNA) where: Base-Base interactions energy: -1478.354 where: short stacking energy: -632.069 Base-Backbone interact. energy: 2.489 local terms energy: -637.720242 where: bonds (distance) C4'-P energy: -113.064 bonds (distance) P-C4' energy: -113.370 flat angles C4'-P-C4' energy: -134.480 flat angles P-C4'-P energy: -91.106 tors. eta vs tors. theta energy: -185.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1786.020564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.020564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.020564 (E_RNA) where: Base-Base interactions energy: -1209.625 where: short stacking energy: -556.186 Base-Backbone interact. energy: 2.515 local terms energy: -578.910522 where: bonds (distance) C4'-P energy: -110.075 bonds (distance) P-C4' energy: -110.382 flat angles C4'-P-C4' energy: -130.438 flat angles P-C4'-P energy: -71.289 tors. eta vs tors. theta energy: -156.727 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: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1643.936102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.936102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.936102 (E_RNA) where: Base-Base interactions energy: -1127.923 where: short stacking energy: -474.477 Base-Backbone interact. energy: 0.302 local terms energy: -516.314458 where: bonds (distance) C4'-P energy: -103.451 bonds (distance) P-C4' energy: -100.634 flat angles C4'-P-C4' energy: -114.394 flat angles P-C4'-P energy: -89.613 tors. eta vs tors. theta energy: -108.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1368.888957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.888957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.888957 (E_RNA) where: Base-Base interactions energy: -899.307 where: short stacking energy: -375.725 Base-Backbone interact. energy: -0.658 local terms energy: -468.924175 where: bonds (distance) C4'-P energy: -103.707 bonds (distance) P-C4' energy: -104.114 flat angles C4'-P-C4' energy: -104.331 flat angles P-C4'-P energy: -76.547 tors. eta vs tors. theta energy: -80.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -915.167946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.167946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.167946 (E_RNA) where: Base-Base interactions energy: -516.804 where: short stacking energy: -257.890 Base-Backbone interact. energy: 1.203 local terms energy: -399.566871 where: bonds (distance) C4'-P energy: -101.397 bonds (distance) P-C4' energy: -100.661 flat angles C4'-P-C4' energy: -93.873 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -32.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2609.350668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.350668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.350668 (E_RNA) where: Base-Base interactions energy: -1829.903 where: short stacking energy: -765.507 Base-Backbone interact. energy: 0.906 local terms energy: -780.353472 where: bonds (distance) C4'-P energy: -135.907 bonds (distance) P-C4' energy: -127.101 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -119.815 tors. eta vs tors. theta energy: -235.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2614.987306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.987306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.987306 (E_RNA) where: Base-Base interactions energy: -1852.386 where: short stacking energy: -765.854 Base-Backbone interact. energy: -0.383 local terms energy: -762.217985 where: bonds (distance) C4'-P energy: -134.604 bonds (distance) P-C4' energy: -129.651 flat angles C4'-P-C4' energy: -163.087 flat angles P-C4'-P energy: -102.141 tors. eta vs tors. theta energy: -232.735 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: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2507.033399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.033399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.033399 (E_RNA) where: Base-Base interactions energy: -1783.278 where: short stacking energy: -722.048 Base-Backbone interact. energy: -1.489 local terms energy: -722.266859 where: bonds (distance) C4'-P energy: -125.502 bonds (distance) P-C4' energy: -131.061 flat angles C4'-P-C4' energy: -136.008 flat angles P-C4'-P energy: -105.692 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: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2354.371970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.371970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.371970 (E_RNA) where: Base-Base interactions energy: -1667.421 where: short stacking energy: -707.696 Base-Backbone interact. energy: -2.768 local terms energy: -684.182670 where: bonds (distance) C4'-P energy: -116.279 bonds (distance) P-C4' energy: -119.082 flat angles C4'-P-C4' energy: -150.349 flat angles P-C4'-P energy: -86.916 tors. eta vs tors. theta energy: -211.556 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: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2220.672138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.672138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.672138 (E_RNA) where: Base-Base interactions energy: -1510.818 where: short stacking energy: -645.897 Base-Backbone interact. energy: -2.232 local terms energy: -707.621490 where: bonds (distance) C4'-P energy: -122.123 bonds (distance) P-C4' energy: -142.893 flat angles C4'-P-C4' energy: -129.828 flat angles P-C4'-P energy: -104.227 tors. eta vs tors. theta energy: -208.550 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: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2070.337234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.337234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.337234 (E_RNA) where: Base-Base interactions energy: -1435.239 where: short stacking energy: -609.517 Base-Backbone interact. energy: 2.659 local terms energy: -637.757533 where: bonds (distance) C4'-P energy: -121.155 bonds (distance) P-C4' energy: -131.488 flat angles C4'-P-C4' energy: -131.088 flat angles P-C4'-P energy: -77.158 tors. eta vs tors. theta energy: -176.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1771.424445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.424445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.424445 (E_RNA) where: Base-Base interactions energy: -1135.835 where: short stacking energy: -526.868 Base-Backbone interact. energy: -1.707 local terms energy: -633.882143 where: bonds (distance) C4'-P energy: -138.794 bonds (distance) P-C4' energy: -117.251 flat angles C4'-P-C4' energy: -138.037 flat angles P-C4'-P energy: -89.801 tors. eta vs tors. theta energy: -150.000 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: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1656.306473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.306473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.306473 (E_RNA) where: Base-Base interactions energy: -1095.973 where: short stacking energy: -479.966 Base-Backbone interact. energy: -3.050 local terms energy: -557.284020 where: bonds (distance) C4'-P energy: -93.183 bonds (distance) P-C4' energy: -109.024 flat angles C4'-P-C4' energy: -135.521 flat angles P-C4'-P energy: -87.402 tors. eta vs tors. theta energy: -132.155 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: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1371.235137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.235137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.235137 (E_RNA) where: Base-Base interactions energy: -898.775 where: short stacking energy: -382.401 Base-Backbone interact. energy: -1.233 local terms energy: -471.226973 where: bonds (distance) C4'-P energy: -107.851 bonds (distance) P-C4' energy: -116.084 flat angles C4'-P-C4' energy: -112.288 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: -71.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -896.642740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.642740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.642740 (E_RNA) where: Base-Base interactions energy: -503.746 where: short stacking energy: -265.457 Base-Backbone interact. energy: 6.361 local terms energy: -399.257367 where: bonds (distance) C4'-P energy: -122.722 bonds (distance) P-C4' energy: -93.778 flat angles C4'-P-C4' energy: -101.006 flat angles P-C4'-P energy: -60.863 tors. eta vs tors. theta energy: -20.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2650.078213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.078213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.078213 (E_RNA) where: Base-Base interactions energy: -1899.327 where: short stacking energy: -777.892 Base-Backbone interact. energy: -1.168 local terms energy: -749.582655 where: bonds (distance) C4'-P energy: -123.615 bonds (distance) P-C4' energy: -134.426 flat angles C4'-P-C4' energy: -156.282 flat angles P-C4'-P energy: -101.515 tors. eta vs tors. theta energy: -233.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2620.850859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.850859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.850859 (E_RNA) where: Base-Base interactions energy: -1839.193 where: short stacking energy: -754.305 Base-Backbone interact. energy: -4.370 local terms energy: -777.288129 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -133.996 flat angles C4'-P-C4' energy: -165.083 flat angles P-C4'-P energy: -104.616 tors. eta vs tors. theta energy: -231.618 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: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2524.103242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.103242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.103242 (E_RNA) where: Base-Base interactions energy: -1795.155 where: short stacking energy: -742.994 Base-Backbone interact. energy: -2.235 local terms energy: -726.712714 where: bonds (distance) C4'-P energy: -122.739 bonds (distance) P-C4' energy: -116.548 flat angles C4'-P-C4' energy: -161.153 flat angles P-C4'-P energy: -103.194 tors. eta vs tors. theta energy: -223.078 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: 140 Temperature: 1.050000 Total energy: -2343.692669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.692669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.692669 (E_RNA) where: Base-Base interactions energy: -1661.968 where: short stacking energy: -701.466 Base-Backbone interact. energy: -2.215 local terms energy: -679.509921 where: bonds (distance) C4'-P energy: -131.193 bonds (distance) P-C4' energy: -112.188 flat angles C4'-P-C4' energy: -137.908 flat angles P-C4'-P energy: -93.270 tors. eta vs tors. theta energy: -204.951 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: 140 Temperature: 1.100000 Total energy: -2205.633659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.633659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.633659 (E_RNA) where: Base-Base interactions energy: -1545.500 where: short stacking energy: -673.376 Base-Backbone interact. energy: -2.362 local terms energy: -657.771835 where: bonds (distance) C4'-P energy: -106.203 bonds (distance) P-C4' energy: -108.932 flat angles C4'-P-C4' energy: -142.216 flat angles P-C4'-P energy: -105.869 tors. eta vs tors. theta energy: -194.552 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: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2123.173310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.173310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.173310 (E_RNA) where: Base-Base interactions energy: -1497.256 where: short stacking energy: -629.474 Base-Backbone interact. energy: 0.743 local terms energy: -626.659555 where: bonds (distance) C4'-P energy: -107.731 bonds (distance) P-C4' energy: -115.186 flat angles C4'-P-C4' energy: -131.556 flat angles P-C4'-P energy: -83.329 tors. eta vs tors. theta energy: -188.858 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: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1771.799998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.799998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.799998 (E_RNA) where: Base-Base interactions energy: -1166.489 where: short stacking energy: -545.330 Base-Backbone interact. energy: 0.719 local terms energy: -606.030108 where: bonds (distance) C4'-P energy: -120.410 bonds (distance) P-C4' energy: -122.626 flat angles C4'-P-C4' energy: -125.008 flat angles P-C4'-P energy: -91.833 tors. eta vs tors. theta energy: -146.153 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: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1638.630920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.630920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.630920 (E_RNA) where: Base-Base interactions energy: -1128.406 where: short stacking energy: -484.081 Base-Backbone interact. energy: 1.653 local terms energy: -511.876977 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -105.299 flat angles C4'-P-C4' energy: -113.082 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -117.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1371.075395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.075395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.075395 (E_RNA) where: Base-Base interactions energy: -913.764 where: short stacking energy: -385.654 Base-Backbone interact. energy: -4.617 local terms energy: -452.693833 where: bonds (distance) C4'-P energy: -90.584 bonds (distance) P-C4' energy: -114.921 flat angles C4'-P-C4' energy: -113.537 flat angles P-C4'-P energy: -57.249 tors. eta vs tors. theta energy: -76.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -797.553335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.553335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.553335 (E_RNA) where: Base-Base interactions energy: -410.971 where: short stacking energy: -220.436 Base-Backbone interact. energy: -2.148 local terms energy: -384.434348 where: bonds (distance) C4'-P energy: -108.758 bonds (distance) P-C4' energy: -91.295 flat angles C4'-P-C4' energy: -103.704 flat angles P-C4'-P energy: -69.134 tors. eta vs tors. theta energy: -11.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2643.832568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.832568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.832568 (E_RNA) where: Base-Base interactions energy: -1894.743 where: short stacking energy: -793.316 Base-Backbone interact. energy: -1.255 local terms energy: -747.834450 where: bonds (distance) C4'-P energy: -131.807 bonds (distance) P-C4' energy: -114.929 flat angles C4'-P-C4' energy: -147.820 flat angles P-C4'-P energy: -115.971 tors. eta vs tors. theta energy: -237.308 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: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2618.331835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.331835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.331835 (E_RNA) where: Base-Base interactions energy: -1836.795 where: short stacking energy: -779.643 Base-Backbone interact. energy: -0.123 local terms energy: -781.413154 where: bonds (distance) C4'-P energy: -128.348 bonds (distance) P-C4' energy: -135.919 flat angles C4'-P-C4' energy: -163.112 flat angles P-C4'-P energy: -113.032 tors. eta vs tors. theta energy: -241.002 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: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2476.462963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.462963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.462963 (E_RNA) where: Base-Base interactions energy: -1745.232 where: short stacking energy: -719.074 Base-Backbone interact. energy: 2.611 local terms energy: -733.842069 where: bonds (distance) C4'-P energy: -107.956 bonds (distance) P-C4' energy: -129.467 flat angles C4'-P-C4' energy: -155.338 flat angles P-C4'-P energy: -107.962 tors. eta vs tors. theta energy: -233.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2333.544120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.544120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.544120 (E_RNA) where: Base-Base interactions energy: -1622.890 where: short stacking energy: -691.894 Base-Backbone interact. energy: -1.404 local terms energy: -709.249958 where: bonds (distance) C4'-P energy: -129.794 bonds (distance) P-C4' energy: -129.726 flat angles C4'-P-C4' energy: -149.832 flat angles P-C4'-P energy: -87.028 tors. eta vs tors. theta energy: -212.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2227.116665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.116665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.116665 (E_RNA) where: Base-Base interactions energy: -1562.663 where: short stacking energy: -665.864 Base-Backbone interact. energy: 1.463 local terms energy: -665.916532 where: bonds (distance) C4'-P energy: -119.148 bonds (distance) P-C4' energy: -121.290 flat angles C4'-P-C4' energy: -133.371 flat angles P-C4'-P energy: -95.466 tors. eta vs tors. theta energy: -196.641 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: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2031.030009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.030009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.030009 (E_RNA) where: Base-Base interactions energy: -1398.880 where: short stacking energy: -617.774 Base-Backbone interact. energy: 0.982 local terms energy: -633.131551 where: bonds (distance) C4'-P energy: -118.087 bonds (distance) P-C4' energy: -116.775 flat angles C4'-P-C4' energy: -138.334 flat angles P-C4'-P energy: -82.287 tors. eta vs tors. theta energy: -177.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1785.082258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.082258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.082258 (E_RNA) where: Base-Base interactions energy: -1164.215 where: short stacking energy: -530.218 Base-Backbone interact. energy: -3.157 local terms energy: -617.710260 where: bonds (distance) C4'-P energy: -118.092 bonds (distance) P-C4' energy: -125.433 flat angles C4'-P-C4' energy: -128.505 flat angles P-C4'-P energy: -93.876 tors. eta vs tors. theta energy: -151.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1652.188110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.188110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.188110 (E_RNA) where: Base-Base interactions energy: -1130.933 where: short stacking energy: -482.880 Base-Backbone interact. energy: 8.894 local terms energy: -530.149077 where: bonds (distance) C4'-P energy: -96.179 bonds (distance) P-C4' energy: -111.107 flat angles C4'-P-C4' energy: -118.637 flat angles P-C4'-P energy: -80.860 tors. eta vs tors. theta energy: -123.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1434.003197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.003197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.003197 (E_RNA) where: Base-Base interactions energy: -948.609 where: short stacking energy: -396.168 Base-Backbone interact. energy: -0.042 local terms energy: -485.351859 where: bonds (distance) C4'-P energy: -105.604 bonds (distance) P-C4' energy: -112.652 flat angles C4'-P-C4' energy: -119.501 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -73.017 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: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -773.937446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.937446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.937446 (E_RNA) where: Base-Base interactions energy: -406.292 where: short stacking energy: -202.929 Base-Backbone interact. energy: 15.173 local terms energy: -382.818587 where: bonds (distance) C4'-P energy: -88.110 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -94.998 flat angles P-C4'-P energy: -80.843 tors. eta vs tors. theta energy: 8.481 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: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2659.504561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.504561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.504561 (E_RNA) where: Base-Base interactions energy: -1897.434 where: short stacking energy: -792.347 Base-Backbone interact. energy: -2.726 local terms energy: -759.344032 where: bonds (distance) C4'-P energy: -141.491 bonds (distance) P-C4' energy: -114.411 flat angles C4'-P-C4' energy: -162.738 flat angles P-C4'-P energy: -111.876 tors. eta vs tors. theta energy: -228.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2614.097856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.097856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.097856 (E_RNA) where: Base-Base interactions energy: -1853.145 where: short stacking energy: -766.746 Base-Backbone interact. energy: 0.684 local terms energy: -761.637473 where: bonds (distance) C4'-P energy: -133.341 bonds (distance) P-C4' energy: -125.037 flat angles C4'-P-C4' energy: -153.529 flat angles P-C4'-P energy: -111.150 tors. eta vs tors. theta energy: -238.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2497.583686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.583686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.583686 (E_RNA) where: Base-Base interactions energy: -1775.231 where: short stacking energy: -728.288 Base-Backbone interact. energy: -0.861 local terms energy: -721.492575 where: bonds (distance) C4'-P energy: -124.433 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -145.931 flat angles P-C4'-P energy: -99.117 tors. eta vs tors. theta energy: -219.054 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: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2323.235755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.235755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.235755 (E_RNA) where: Base-Base interactions energy: -1646.888 where: short stacking energy: -686.755 Base-Backbone interact. energy: -2.507 local terms energy: -673.840203 where: bonds (distance) C4'-P energy: -113.958 bonds (distance) P-C4' energy: -117.088 flat angles C4'-P-C4' energy: -135.764 flat angles P-C4'-P energy: -92.385 tors. eta vs tors. theta energy: -214.645 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: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2207.796422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.796422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.796422 (E_RNA) where: Base-Base interactions energy: -1522.892 where: short stacking energy: -632.083 Base-Backbone interact. energy: -4.229 local terms energy: -680.674475 where: bonds (distance) C4'-P energy: -134.705 bonds (distance) P-C4' energy: -120.799 flat angles C4'-P-C4' energy: -133.356 flat angles P-C4'-P energy: -96.401 tors. eta vs tors. theta energy: -195.413 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: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2072.214217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.214217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.214217 (E_RNA) where: Base-Base interactions energy: -1454.188 where: short stacking energy: -601.566 Base-Backbone interact. energy: 1.068 local terms energy: -619.094048 where: bonds (distance) C4'-P energy: -106.621 bonds (distance) P-C4' energy: -129.894 flat angles C4'-P-C4' energy: -120.674 flat angles P-C4'-P energy: -96.793 tors. eta vs tors. theta energy: -165.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1792.960644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.960644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.960644 (E_RNA) where: Base-Base interactions energy: -1221.438 where: short stacking energy: -535.143 Base-Backbone interact. energy: -1.340 local terms energy: -570.182335 where: bonds (distance) C4'-P energy: -109.369 bonds (distance) P-C4' energy: -98.409 flat angles C4'-P-C4' energy: -123.595 flat angles P-C4'-P energy: -75.033 tors. eta vs tors. theta energy: -163.777 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: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1647.197688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.197688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.197688 (E_RNA) where: Base-Base interactions energy: -1116.581 where: short stacking energy: -478.415 Base-Backbone interact. energy: -3.707 local terms energy: -526.910166 where: bonds (distance) C4'-P energy: -109.490 bonds (distance) P-C4' energy: -116.097 flat angles C4'-P-C4' energy: -129.110 flat angles P-C4'-P energy: -64.498 tors. eta vs tors. theta energy: -107.715 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: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1535.099379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.099379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.099379 (E_RNA) where: Base-Base interactions energy: -1023.388 where: short stacking energy: -432.672 Base-Backbone interact. energy: 2.522 local terms energy: -514.232726 where: bonds (distance) C4'-P energy: -112.870 bonds (distance) P-C4' energy: -125.455 flat angles C4'-P-C4' energy: -118.802 flat angles P-C4'-P energy: -67.960 tors. eta vs tors. theta energy: -89.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -750.103905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.103905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.103905 (E_RNA) where: Base-Base interactions energy: -377.063 where: short stacking energy: -225.225 Base-Backbone interact. energy: -0.527 local terms energy: -372.514029 where: bonds (distance) C4'-P energy: -112.099 bonds (distance) P-C4' energy: -108.500 flat angles C4'-P-C4' energy: -83.785 flat angles P-C4'-P energy: -56.516 tors. eta vs tors. theta energy: -11.614 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: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2674.133803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.133803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.133803 (E_RNA) where: Base-Base interactions energy: -1904.364 where: short stacking energy: -780.915 Base-Backbone interact. energy: -2.135 local terms energy: -767.634855 where: bonds (distance) C4'-P energy: -127.235 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -166.960 flat angles P-C4'-P energy: -105.260 tors. eta vs tors. theta energy: -233.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2584.894831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.894831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.894831 (E_RNA) where: Base-Base interactions energy: -1836.458 where: short stacking energy: -766.643 Base-Backbone interact. energy: 1.130 local terms energy: -749.566781 where: bonds (distance) C4'-P energy: -115.207 bonds (distance) P-C4' energy: -128.263 flat angles C4'-P-C4' energy: -151.772 flat angles P-C4'-P energy: -116.229 tors. eta vs tors. theta energy: -238.096 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: 143 Temperature: 1.000000 Total energy: -2481.336181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.336181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.336181 (E_RNA) where: Base-Base interactions energy: -1752.097 where: short stacking energy: -735.696 Base-Backbone interact. energy: -1.827 local terms energy: -727.411892 where: bonds (distance) C4'-P energy: -131.441 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -145.753 flat angles P-C4'-P energy: -101.879 tors. eta vs tors. theta energy: -225.838 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: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2328.086241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.086241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.086241 (E_RNA) where: Base-Base interactions energy: -1638.778 where: short stacking energy: -695.809 Base-Backbone interact. energy: -2.192 local terms energy: -687.116649 where: bonds (distance) C4'-P energy: -123.891 bonds (distance) P-C4' energy: -129.051 flat angles C4'-P-C4' energy: -142.416 flat angles P-C4'-P energy: -86.479 tors. eta vs tors. theta energy: -205.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2195.409557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.409557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.409557 (E_RNA) where: Base-Base interactions energy: -1519.061 where: short stacking energy: -656.585 Base-Backbone interact. energy: 1.029 local terms energy: -677.376882 where: bonds (distance) C4'-P energy: -112.645 bonds (distance) P-C4' energy: -125.247 flat angles C4'-P-C4' energy: -143.356 flat angles P-C4'-P energy: -104.147 tors. eta vs tors. theta energy: -191.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2088.204742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.204742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.204742 (E_RNA) where: Base-Base interactions energy: -1447.980 where: short stacking energy: -610.915 Base-Backbone interact. energy: -0.613 local terms energy: -639.611679 where: bonds (distance) C4'-P energy: -114.946 bonds (distance) P-C4' energy: -124.145 flat angles C4'-P-C4' energy: -138.198 flat angles P-C4'-P energy: -86.135 tors. eta vs tors. theta energy: -176.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1826.668580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.668580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.668580 (E_RNA) where: Base-Base interactions energy: -1222.595 where: short stacking energy: -517.934 Base-Backbone interact. energy: -1.728 local terms energy: -602.345651 where: bonds (distance) C4'-P energy: -105.052 bonds (distance) P-C4' energy: -119.677 flat angles C4'-P-C4' energy: -129.373 flat angles P-C4'-P energy: -96.683 tors. eta vs tors. theta energy: -151.560 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1707.440121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.440121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.440121 (E_RNA) where: Base-Base interactions energy: -1214.069 where: short stacking energy: -491.805 Base-Backbone interact. energy: -4.472 local terms energy: -488.899954 where: bonds (distance) C4'-P energy: -83.847 bonds (distance) P-C4' energy: -83.938 flat angles C4'-P-C4' energy: -118.439 flat angles P-C4'-P energy: -75.573 tors. eta vs tors. theta energy: -127.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1468.139995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.139995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.139995 (E_RNA) where: Base-Base interactions energy: -959.747 where: short stacking energy: -409.622 Base-Backbone interact. energy: -0.402 local terms energy: -507.991314 where: bonds (distance) C4'-P energy: -101.954 bonds (distance) P-C4' energy: -114.936 flat angles C4'-P-C4' energy: -108.048 flat angles P-C4'-P energy: -80.116 tors. eta vs tors. theta energy: -102.937 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: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -814.023205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.023205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.023205 (E_RNA) where: Base-Base interactions energy: -413.896 where: short stacking energy: -225.534 Base-Backbone interact. energy: -1.123 local terms energy: -399.004009 where: bonds (distance) C4'-P energy: -105.738 bonds (distance) P-C4' energy: -119.682 flat angles C4'-P-C4' energy: -98.504 flat angles P-C4'-P energy: -60.898 tors. eta vs tors. theta energy: -14.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2677.870818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.870818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.870818 (E_RNA) where: Base-Base interactions energy: -1894.646 where: short stacking energy: -751.019 Base-Backbone interact. energy: -1.103 local terms energy: -782.122308 where: bonds (distance) C4'-P energy: -135.254 bonds (distance) P-C4' energy: -136.754 flat angles C4'-P-C4' energy: -162.213 flat angles P-C4'-P energy: -110.980 tors. eta vs tors. theta energy: -236.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2586.345979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.345979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.345979 (E_RNA) where: Base-Base interactions energy: -1824.130 where: short stacking energy: -777.167 Base-Backbone interact. energy: -1.902 local terms energy: -760.314396 where: bonds (distance) C4'-P energy: -118.986 bonds (distance) P-C4' energy: -134.067 flat angles C4'-P-C4' energy: -155.003 flat angles P-C4'-P energy: -108.134 tors. eta vs tors. theta energy: -244.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2500.517265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.517265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.517265 (E_RNA) where: Base-Base interactions energy: -1755.423 where: short stacking energy: -742.723 Base-Backbone interact. energy: -0.195 local terms energy: -744.899755 where: bonds (distance) C4'-P energy: -133.020 bonds (distance) P-C4' energy: -124.163 flat angles C4'-P-C4' energy: -153.899 flat angles P-C4'-P energy: -103.400 tors. eta vs tors. theta energy: -230.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2371.749431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.749431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.749431 (E_RNA) where: Base-Base interactions energy: -1648.674 where: short stacking energy: -691.042 Base-Backbone interact. energy: -2.355 local terms energy: -720.719828 where: bonds (distance) C4'-P energy: -132.105 bonds (distance) P-C4' energy: -123.008 flat angles C4'-P-C4' energy: -155.477 flat angles P-C4'-P energy: -98.212 tors. eta vs tors. theta energy: -211.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2224.195821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.195821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.195821 (E_RNA) where: Base-Base interactions energy: -1558.309 where: short stacking energy: -684.033 Base-Backbone interact. energy: -2.130 local terms energy: -663.756515 where: bonds (distance) C4'-P energy: -107.350 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -143.366 flat angles P-C4'-P energy: -83.617 tors. eta vs tors. theta energy: -203.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2093.735712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.735712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.735712 (E_RNA) where: Base-Base interactions energy: -1454.234 where: short stacking energy: -611.307 Base-Backbone interact. energy: -1.557 local terms energy: -637.945112 where: bonds (distance) C4'-P energy: -125.138 bonds (distance) P-C4' energy: -110.839 flat angles C4'-P-C4' energy: -131.312 flat angles P-C4'-P energy: -80.975 tors. eta vs tors. theta energy: -189.682 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: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1878.790737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.790737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.790737 (E_RNA) where: Base-Base interactions energy: -1270.894 where: short stacking energy: -552.840 Base-Backbone interact. energy: -0.575 local terms energy: -607.321066 where: bonds (distance) C4'-P energy: -109.449 bonds (distance) P-C4' energy: -129.523 flat angles C4'-P-C4' energy: -130.254 flat angles P-C4'-P energy: -83.247 tors. eta vs tors. theta energy: -154.849 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: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1746.043171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.043171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.043171 (E_RNA) where: Base-Base interactions energy: -1214.767 where: short stacking energy: -494.930 Base-Backbone interact. energy: -3.188 local terms energy: -528.087248 where: bonds (distance) C4'-P energy: -92.959 bonds (distance) P-C4' energy: -104.205 flat angles C4'-P-C4' energy: -130.485 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: -119.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1504.990431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.990431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.990431 (E_RNA) where: Base-Base interactions energy: -1008.500 where: short stacking energy: -451.811 Base-Backbone interact. energy: -1.910 local terms energy: -494.580364 where: bonds (distance) C4'-P energy: -121.762 bonds (distance) P-C4' energy: -115.391 flat angles C4'-P-C4' energy: -104.425 flat angles P-C4'-P energy: -64.858 tors. eta vs tors. theta energy: -88.145 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: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -767.793035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.793035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.793035 (E_RNA) where: Base-Base interactions energy: -394.783 where: short stacking energy: -205.737 Base-Backbone interact. energy: -0.993 local terms energy: -372.017330 where: bonds (distance) C4'-P energy: -94.657 bonds (distance) P-C4' energy: -102.085 flat angles C4'-P-C4' energy: -106.611 flat angles P-C4'-P energy: -50.769 tors. eta vs tors. theta energy: -17.895 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: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2674.772351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.772351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.772351 (E_RNA) where: Base-Base interactions energy: -1908.302 where: short stacking energy: -769.328 Base-Backbone interact. energy: -2.826 local terms energy: -763.644896 where: bonds (distance) C4'-P energy: -133.074 bonds (distance) P-C4' energy: -134.397 flat angles C4'-P-C4' energy: -164.351 flat angles P-C4'-P energy: -103.817 tors. eta vs tors. theta energy: -228.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2605.053822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.053822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.053822 (E_RNA) where: Base-Base interactions energy: -1831.527 where: short stacking energy: -760.193 Base-Backbone interact. energy: -0.795 local terms energy: -772.732379 where: bonds (distance) C4'-P energy: -125.071 bonds (distance) P-C4' energy: -136.074 flat angles C4'-P-C4' energy: -160.347 flat angles P-C4'-P energy: -109.156 tors. eta vs tors. theta energy: -242.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2506.428121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.428121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.428121 (E_RNA) where: Base-Base interactions energy: -1786.202 where: short stacking energy: -757.667 Base-Backbone interact. energy: -0.552 local terms energy: -719.674382 where: bonds (distance) C4'-P energy: -129.172 bonds (distance) P-C4' energy: -125.692 flat angles C4'-P-C4' energy: -147.569 flat angles P-C4'-P energy: -83.183 tors. eta vs tors. theta energy: -234.058 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: 4, replica: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2331.338440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.338440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.338440 (E_RNA) where: Base-Base interactions energy: -1650.253 where: short stacking energy: -706.638 Base-Backbone interact. energy: -0.651 local terms energy: -680.434938 where: bonds (distance) C4'-P energy: -108.387 bonds (distance) P-C4' energy: -118.868 flat angles C4'-P-C4' energy: -142.570 flat angles P-C4'-P energy: -92.129 tors. eta vs tors. theta energy: -218.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2226.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.132339 (E_RNA) where: Base-Base interactions energy: -1564.392 where: short stacking energy: -672.836 Base-Backbone interact. energy: -1.523 local terms energy: -660.217825 where: bonds (distance) C4'-P energy: -106.410 bonds (distance) P-C4' energy: -106.062 flat angles C4'-P-C4' energy: -145.564 flat angles P-C4'-P energy: -95.909 tors. eta vs tors. theta energy: -206.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2094.456357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.456357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.456357 (E_RNA) where: Base-Base interactions energy: -1448.326 where: short stacking energy: -614.172 Base-Backbone interact. energy: -2.227 local terms energy: -643.903588 where: bonds (distance) C4'-P energy: -129.731 bonds (distance) P-C4' energy: -132.010 flat angles C4'-P-C4' energy: -123.341 flat angles P-C4'-P energy: -87.214 tors. eta vs tors. theta energy: -171.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1937.358858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.358858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.358858 (E_RNA) where: Base-Base interactions energy: -1314.769 where: short stacking energy: -585.561 Base-Backbone interact. energy: -4.916 local terms energy: -617.673782 where: bonds (distance) C4'-P energy: -114.978 bonds (distance) P-C4' energy: -119.410 flat angles C4'-P-C4' energy: -131.023 flat angles P-C4'-P energy: -86.746 tors. eta vs tors. theta energy: -165.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1662.782071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.782071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.782071 (E_RNA) where: Base-Base interactions energy: -1135.294 where: short stacking energy: -456.551 Base-Backbone interact. energy: -1.897 local terms energy: -525.591500 where: bonds (distance) C4'-P energy: -110.933 bonds (distance) P-C4' energy: -114.157 flat angles C4'-P-C4' energy: -119.798 flat angles P-C4'-P energy: -72.510 tors. eta vs tors. theta energy: -108.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1563.657450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.657450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.657450 (E_RNA) where: Base-Base interactions energy: -1034.924 where: short stacking energy: -456.693 Base-Backbone interact. energy: 0.078 local terms energy: -528.810911 where: bonds (distance) C4'-P energy: -118.354 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -128.389 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: -99.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -654.759986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.759986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.759986 (E_RNA) where: Base-Base interactions energy: -298.689 where: short stacking energy: -204.308 Base-Backbone interact. energy: 1.416 local terms energy: -357.487416 where: bonds (distance) C4'-P energy: -78.210 bonds (distance) P-C4' energy: -117.328 flat angles C4'-P-C4' energy: -95.101 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -6.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2679.928034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.928034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.928034 (E_RNA) where: Base-Base interactions energy: -1923.773 where: short stacking energy: -773.750 Base-Backbone interact. energy: -2.008 local terms energy: -754.146995 where: bonds (distance) C4'-P energy: -140.325 bonds (distance) P-C4' energy: -112.624 flat angles C4'-P-C4' energy: -160.233 flat angles P-C4'-P energy: -108.833 tors. eta vs tors. theta energy: -232.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2644.345550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.345550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.345550 (E_RNA) where: Base-Base interactions energy: -1865.024 where: short stacking energy: -784.472 Base-Backbone interact. energy: -1.007 local terms energy: -778.314335 where: bonds (distance) C4'-P energy: -127.016 bonds (distance) P-C4' energy: -136.518 flat angles C4'-P-C4' energy: -163.701 flat angles P-C4'-P energy: -107.415 tors. eta vs tors. theta energy: -243.664 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: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2501.740418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.740418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.740418 (E_RNA) where: Base-Base interactions energy: -1745.195 where: short stacking energy: -716.442 Base-Backbone interact. energy: -2.057 local terms energy: -754.488581 where: bonds (distance) C4'-P energy: -128.354 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -153.547 flat angles P-C4'-P energy: -117.313 tors. eta vs tors. theta energy: -223.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2319.374987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.374987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.374987 (E_RNA) where: Base-Base interactions energy: -1640.933 where: short stacking energy: -672.306 Base-Backbone interact. energy: -4.099 local terms energy: -674.342325 where: bonds (distance) C4'-P energy: -110.183 bonds (distance) P-C4' energy: -130.281 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -97.856 tors. eta vs tors. theta energy: -197.639 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: 146 Temperature: 1.100000 Total energy: -2227.149433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.149433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.149433 (E_RNA) where: Base-Base interactions energy: -1583.244 where: short stacking energy: -655.092 Base-Backbone interact. energy: -0.212 local terms energy: -643.693385 where: bonds (distance) C4'-P energy: -114.150 bonds (distance) P-C4' energy: -117.050 flat angles C4'-P-C4' energy: -138.997 flat angles P-C4'-P energy: -75.965 tors. eta vs tors. theta energy: -197.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2075.715236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.715236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.715236 (E_RNA) where: Base-Base interactions energy: -1476.135 where: short stacking energy: -619.398 Base-Backbone interact. energy: -0.845 local terms energy: -598.735656 where: bonds (distance) C4'-P energy: -105.325 bonds (distance) P-C4' energy: -100.868 flat angles C4'-P-C4' energy: -133.421 flat angles P-C4'-P energy: -89.637 tors. eta vs tors. theta energy: -169.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1920.653298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.653298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.653298 (E_RNA) where: Base-Base interactions energy: -1313.985 where: short stacking energy: -572.998 Base-Backbone interact. energy: -0.829 local terms energy: -605.839734 where: bonds (distance) C4'-P energy: -114.703 bonds (distance) P-C4' energy: -121.391 flat angles C4'-P-C4' energy: -128.161 flat angles P-C4'-P energy: -86.526 tors. eta vs tors. theta energy: -155.058 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: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1689.690158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.690158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.690158 (E_RNA) where: Base-Base interactions energy: -1163.646 where: short stacking energy: -449.375 Base-Backbone interact. energy: -1.248 local terms energy: -524.795886 where: bonds (distance) C4'-P energy: -101.229 bonds (distance) P-C4' energy: -112.205 flat angles C4'-P-C4' energy: -112.859 flat angles P-C4'-P energy: -77.747 tors. eta vs tors. theta energy: -120.756 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: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1527.407023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.407023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.407023 (E_RNA) where: Base-Base interactions energy: -1019.940 where: short stacking energy: -434.013 Base-Backbone interact. energy: -4.131 local terms energy: -503.335490 where: bonds (distance) C4'-P energy: -101.126 bonds (distance) P-C4' energy: -120.004 flat angles C4'-P-C4' energy: -114.759 flat angles P-C4'-P energy: -62.479 tors. eta vs tors. theta energy: -104.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -641.396099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.396099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.396099 (E_RNA) where: Base-Base interactions energy: -312.391 where: short stacking energy: -181.972 Base-Backbone interact. energy: -0.312 local terms energy: -328.692975 where: bonds (distance) C4'-P energy: -108.261 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -88.657 flat angles P-C4'-P energy: -50.426 tors. eta vs tors. theta energy: 16.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2661.731018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.731018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.731018 (E_RNA) where: Base-Base interactions energy: -1907.987 where: short stacking energy: -780.590 Base-Backbone interact. energy: -2.177 local terms energy: -751.566561 where: bonds (distance) C4'-P energy: -135.433 bonds (distance) P-C4' energy: -135.678 flat angles C4'-P-C4' energy: -148.067 flat angles P-C4'-P energy: -105.518 tors. eta vs tors. theta energy: -226.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2608.973442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.973442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.973442 (E_RNA) where: Base-Base interactions energy: -1850.443 where: short stacking energy: -777.688 Base-Backbone interact. energy: 0.025 local terms energy: -758.555695 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -143.663 flat angles C4'-P-C4' energy: -167.270 flat angles P-C4'-P energy: -93.183 tors. eta vs tors. theta energy: -236.470 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: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2495.275207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.275207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.275207 (E_RNA) where: Base-Base interactions energy: -1753.949 where: short stacking energy: -734.238 Base-Backbone interact. energy: -1.945 local terms energy: -739.381313 where: bonds (distance) C4'-P energy: -121.515 bonds (distance) P-C4' energy: -127.698 flat angles C4'-P-C4' energy: -152.672 flat angles P-C4'-P energy: -105.762 tors. eta vs tors. theta energy: -231.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2318.661729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.661729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.661729 (E_RNA) where: Base-Base interactions energy: -1618.835 where: short stacking energy: -698.475 Base-Backbone interact. energy: -2.946 local terms energy: -696.880622 where: bonds (distance) C4'-P energy: -119.709 bonds (distance) P-C4' energy: -117.837 flat angles C4'-P-C4' energy: -148.956 flat angles P-C4'-P energy: -103.617 tors. eta vs tors. theta energy: -206.761 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: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2176.789941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.789941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.789941 (E_RNA) where: Base-Base interactions energy: -1526.059 where: short stacking energy: -632.457 Base-Backbone interact. energy: 0.388 local terms energy: -651.119205 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -115.416 flat angles C4'-P-C4' energy: -129.238 flat angles P-C4'-P energy: -100.407 tors. eta vs tors. theta energy: -180.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2142.166074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.166074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.166074 (E_RNA) where: Base-Base interactions energy: -1497.074 where: short stacking energy: -638.671 Base-Backbone interact. energy: -2.401 local terms energy: -642.691550 where: bonds (distance) C4'-P energy: -100.544 bonds (distance) P-C4' energy: -110.627 flat angles C4'-P-C4' energy: -144.414 flat angles P-C4'-P energy: -92.966 tors. eta vs tors. theta energy: -194.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1916.732929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.732929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.732929 (E_RNA) where: Base-Base interactions energy: -1336.718 where: short stacking energy: -575.561 Base-Backbone interact. energy: -3.167 local terms energy: -576.847969 where: bonds (distance) C4'-P energy: -110.718 bonds (distance) P-C4' energy: -112.729 flat angles C4'-P-C4' energy: -116.308 flat angles P-C4'-P energy: -72.245 tors. eta vs tors. theta energy: -164.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1751.718281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.718281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.718281 (E_RNA) where: Base-Base interactions energy: -1189.966 where: short stacking energy: -503.403 Base-Backbone interact. energy: -3.299 local terms energy: -558.452721 where: bonds (distance) C4'-P energy: -111.266 bonds (distance) P-C4' energy: -117.444 flat angles C4'-P-C4' energy: -123.902 flat angles P-C4'-P energy: -75.897 tors. eta vs tors. theta energy: -129.943 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: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1517.859482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.859482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.859482 (E_RNA) where: Base-Base interactions energy: -1018.120 where: short stacking energy: -435.522 Base-Backbone interact. energy: -2.280 local terms energy: -497.459523 where: bonds (distance) C4'-P energy: -99.068 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -132.695 flat angles P-C4'-P energy: -85.916 tors. eta vs tors. theta energy: -89.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -719.468196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.468196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.468196 (E_RNA) where: Base-Base interactions energy: -329.247 where: short stacking energy: -200.725 Base-Backbone interact. energy: 0.878 local terms energy: -391.099266 where: bonds (distance) C4'-P energy: -107.195 bonds (distance) P-C4' energy: -101.297 flat angles C4'-P-C4' energy: -99.626 flat angles P-C4'-P energy: -69.510 tors. eta vs tors. theta energy: -13.471 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: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2680.135799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.135799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.135799 (E_RNA) where: Base-Base interactions energy: -1907.531 where: short stacking energy: -779.852 Base-Backbone interact. energy: -2.544 local terms energy: -770.060770 where: bonds (distance) C4'-P energy: -128.015 bonds (distance) P-C4' energy: -134.582 flat angles C4'-P-C4' energy: -154.870 flat angles P-C4'-P energy: -116.836 tors. eta vs tors. theta energy: -235.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2616.907903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.907903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.907903 (E_RNA) where: Base-Base interactions energy: -1835.202 where: short stacking energy: -752.771 Base-Backbone interact. energy: -1.498 local terms energy: -780.208275 where: bonds (distance) C4'-P energy: -134.090 bonds (distance) P-C4' energy: -129.530 flat angles C4'-P-C4' energy: -165.255 flat angles P-C4'-P energy: -112.695 tors. eta vs tors. theta energy: -238.639 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: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2492.647090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.647090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.647090 (E_RNA) where: Base-Base interactions energy: -1779.002 where: short stacking energy: -742.693 Base-Backbone interact. energy: -2.578 local terms energy: -711.066820 where: bonds (distance) C4'-P energy: -120.319 bonds (distance) P-C4' energy: -121.777 flat angles C4'-P-C4' energy: -144.020 flat angles P-C4'-P energy: -93.964 tors. eta vs tors. theta energy: -230.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2314.162228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.162228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.162228 (E_RNA) where: Base-Base interactions energy: -1630.378 where: short stacking energy: -686.989 Base-Backbone interact. energy: 0.501 local terms energy: -684.285181 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -122.625 flat angles C4'-P-C4' energy: -138.096 flat angles P-C4'-P energy: -93.857 tors. eta vs tors. theta energy: -202.513 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: 5, replica: 5 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2190.472987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.472987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.472987 (E_RNA) where: Base-Base interactions energy: -1534.933 where: short stacking energy: -641.348 Base-Backbone interact. energy: -3.832 local terms energy: -651.708223 where: bonds (distance) C4'-P energy: -126.543 bonds (distance) P-C4' energy: -115.096 flat angles C4'-P-C4' energy: -128.163 flat angles P-C4'-P energy: -88.543 tors. eta vs tors. theta energy: -193.364 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: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2192.066381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.066381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.066381 (E_RNA) where: Base-Base interactions energy: -1530.553 where: short stacking energy: -616.880 Base-Backbone interact. energy: -1.051 local terms energy: -660.461585 where: bonds (distance) C4'-P energy: -111.813 bonds (distance) P-C4' energy: -118.489 flat angles C4'-P-C4' energy: -144.221 flat angles P-C4'-P energy: -92.575 tors. eta vs tors. theta energy: -193.364 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: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1810.912629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.912629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.912629 (E_RNA) where: Base-Base interactions energy: -1235.327 where: short stacking energy: -530.457 Base-Backbone interact. energy: -4.278 local terms energy: -571.306929 where: bonds (distance) C4'-P energy: -104.097 bonds (distance) P-C4' energy: -112.341 flat angles C4'-P-C4' energy: -141.013 flat angles P-C4'-P energy: -81.495 tors. eta vs tors. theta energy: -132.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1675.423356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.423356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.423356 (E_RNA) where: Base-Base interactions energy: -1142.011 where: short stacking energy: -484.921 Base-Backbone interact. energy: 1.038 local terms energy: -534.449923 where: bonds (distance) C4'-P energy: -119.184 bonds (distance) P-C4' energy: -109.581 flat angles C4'-P-C4' energy: -114.940 flat angles P-C4'-P energy: -79.494 tors. eta vs tors. theta energy: -111.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1484.393926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.393926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.393926 (E_RNA) where: Base-Base interactions energy: -1010.309 where: short stacking energy: -415.954 Base-Backbone interact. energy: -2.198 local terms energy: -471.886858 where: bonds (distance) C4'-P energy: -110.051 bonds (distance) P-C4' energy: -114.333 flat angles C4'-P-C4' energy: -113.322 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: -88.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -696.119084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.119084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.119084 (E_RNA) where: Base-Base interactions energy: -349.823 where: short stacking energy: -199.429 Base-Backbone interact. energy: -1.212 local terms energy: -345.084492 where: bonds (distance) C4'-P energy: -93.050 bonds (distance) P-C4' energy: -123.079 flat angles C4'-P-C4' energy: -90.666 flat angles P-C4'-P energy: -38.427 tors. eta vs tors. theta energy: 0.137 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: 1, replica: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2665.425826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.425826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.425826 (E_RNA) where: Base-Base interactions energy: -1904.083 where: short stacking energy: -792.776 Base-Backbone interact. energy: -1.589 local terms energy: -759.753617 where: bonds (distance) C4'-P energy: -126.505 bonds (distance) P-C4' energy: -127.946 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -111.598 tors. eta vs tors. theta energy: -240.026 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: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2605.515666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.515666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.515666 (E_RNA) where: Base-Base interactions energy: -1845.480 where: short stacking energy: -746.880 Base-Backbone interact. energy: 1.034 local terms energy: -761.069089 where: bonds (distance) C4'-P energy: -140.392 bonds (distance) P-C4' energy: -129.802 flat angles C4'-P-C4' energy: -151.561 flat angles P-C4'-P energy: -110.372 tors. eta vs tors. theta energy: -228.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2500.836154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.836154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.836154 (E_RNA) where: Base-Base interactions energy: -1768.366 where: short stacking energy: -740.922 Base-Backbone interact. energy: -0.746 local terms energy: -731.724661 where: bonds (distance) C4'-P energy: -122.685 bonds (distance) P-C4' energy: -119.145 flat angles C4'-P-C4' energy: -156.068 flat angles P-C4'-P energy: -114.547 tors. eta vs tors. theta energy: -219.279 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: 4, replica: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2332.015225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.015225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.015225 (E_RNA) where: Base-Base interactions energy: -1666.781 where: short stacking energy: -690.717 Base-Backbone interact. energy: 0.193 local terms energy: -665.427327 where: bonds (distance) C4'-P energy: -125.350 bonds (distance) P-C4' energy: -119.271 flat angles C4'-P-C4' energy: -128.841 flat angles P-C4'-P energy: -93.166 tors. eta vs tors. theta energy: -198.800 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: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2231.382000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.382000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.382000 (E_RNA) where: Base-Base interactions energy: -1531.188 where: short stacking energy: -648.924 Base-Backbone interact. energy: -1.356 local terms energy: -698.838330 where: bonds (distance) C4'-P energy: -117.274 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -142.107 flat angles P-C4'-P energy: -96.534 tors. eta vs tors. theta energy: -218.391 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: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2196.344876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.344876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.344876 (E_RNA) where: Base-Base interactions energy: -1530.380 where: short stacking energy: -643.696 Base-Backbone interact. energy: -3.284 local terms energy: -662.681157 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -107.414 flat angles C4'-P-C4' energy: -140.739 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -196.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1818.521171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.521171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.521171 (E_RNA) where: Base-Base interactions energy: -1237.031 where: short stacking energy: -520.507 Base-Backbone interact. energy: -1.757 local terms energy: -579.733045 where: bonds (distance) C4'-P energy: -110.090 bonds (distance) P-C4' energy: -121.587 flat angles C4'-P-C4' energy: -108.216 flat angles P-C4'-P energy: -86.970 tors. eta vs tors. theta energy: -152.870 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: 8, replica: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1678.557224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.557224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.557224 (E_RNA) where: Base-Base interactions energy: -1150.886 where: short stacking energy: -491.182 Base-Backbone interact. energy: -1.730 local terms energy: -525.941221 where: bonds (distance) C4'-P energy: -95.007 bonds (distance) P-C4' energy: -106.317 flat angles C4'-P-C4' energy: -123.356 flat angles P-C4'-P energy: -76.651 tors. eta vs tors. theta energy: -124.610 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: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1430.089971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.089971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.089971 (E_RNA) where: Base-Base interactions energy: -953.660 where: short stacking energy: -406.788 Base-Backbone interact. energy: 4.295 local terms energy: -480.725510 where: bonds (distance) C4'-P energy: -113.753 bonds (distance) P-C4' energy: -105.555 flat angles C4'-P-C4' energy: -112.012 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: -84.923 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: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -694.904115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.904115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.904115 (E_RNA) where: Base-Base interactions energy: -367.809 where: short stacking energy: -212.703 Base-Backbone interact. energy: -0.529 local terms energy: -326.566304 where: bonds (distance) C4'-P energy: -91.574 bonds (distance) P-C4' energy: -118.704 flat angles C4'-P-C4' energy: -75.166 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: 3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2664.828512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.828512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.828512 (E_RNA) where: Base-Base interactions energy: -1906.142 where: short stacking energy: -794.069 Base-Backbone interact. energy: -0.761 local terms energy: -757.925137 where: bonds (distance) C4'-P energy: -139.138 bonds (distance) P-C4' energy: -119.281 flat angles C4'-P-C4' energy: -151.906 flat angles P-C4'-P energy: -108.314 tors. eta vs tors. theta energy: -239.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2600.692820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.692820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.692820 (E_RNA) where: Base-Base interactions energy: -1835.271 where: short stacking energy: -755.589 Base-Backbone interact. energy: -1.774 local terms energy: -763.648259 where: bonds (distance) C4'-P energy: -128.106 bonds (distance) P-C4' energy: -133.252 flat angles C4'-P-C4' energy: -144.646 flat angles P-C4'-P energy: -115.324 tors. eta vs tors. theta energy: -242.321 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: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2517.795234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.795234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.795234 (E_RNA) where: Base-Base interactions energy: -1791.494 where: short stacking energy: -731.127 Base-Backbone interact. energy: -1.104 local terms energy: -725.197905 where: bonds (distance) C4'-P energy: -118.574 bonds (distance) P-C4' energy: -124.646 flat angles C4'-P-C4' energy: -145.575 flat angles P-C4'-P energy: -95.258 tors. eta vs tors. theta energy: -241.144 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: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2334.791580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.791580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.791580 (E_RNA) where: Base-Base interactions energy: -1634.971 where: short stacking energy: -689.829 Base-Backbone interact. energy: -2.563 local terms energy: -697.257729 where: bonds (distance) C4'-P energy: -121.386 bonds (distance) P-C4' energy: -128.070 flat angles C4'-P-C4' energy: -147.036 flat angles P-C4'-P energy: -96.554 tors. eta vs tors. theta energy: -204.211 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: 150 Temperature: 1.100000 Total energy: -2184.468117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.468117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.468117 (E_RNA) where: Base-Base interactions energy: -1495.796 where: short stacking energy: -618.334 Base-Backbone interact. energy: -1.136 local terms energy: -687.536704 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -130.093 flat angles C4'-P-C4' energy: -147.878 flat angles P-C4'-P energy: -92.891 tors. eta vs tors. theta energy: -193.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2149.097803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.097803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.097803 (E_RNA) where: Base-Base interactions energy: -1510.875 where: short stacking energy: -618.726 Base-Backbone interact. energy: -2.175 local terms energy: -636.048306 where: bonds (distance) C4'-P energy: -102.012 bonds (distance) P-C4' energy: -108.387 flat angles C4'-P-C4' energy: -143.210 flat angles P-C4'-P energy: -90.356 tors. eta vs tors. theta energy: -192.084 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: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1688.726507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.726507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.726507 (E_RNA) where: Base-Base interactions energy: -1154.553 where: short stacking energy: -486.075 Base-Backbone interact. energy: -3.495 local terms energy: -530.678862 where: bonds (distance) C4'-P energy: -109.908 bonds (distance) P-C4' energy: -113.765 flat angles C4'-P-C4' energy: -129.137 flat angles P-C4'-P energy: -63.613 tors. eta vs tors. theta energy: -114.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1726.224685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.224685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.224685 (E_RNA) where: Base-Base interactions energy: -1154.148 where: short stacking energy: -497.953 Base-Backbone interact. energy: -1.208 local terms energy: -570.868916 where: bonds (distance) C4'-P energy: -111.502 bonds (distance) P-C4' energy: -117.547 flat angles C4'-P-C4' energy: -124.207 flat angles P-C4'-P energy: -82.358 tors. eta vs tors. theta energy: -135.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1427.349261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.349261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.349261 (E_RNA) where: Base-Base interactions energy: -957.550 where: short stacking energy: -405.422 Base-Backbone interact. energy: 3.587 local terms energy: -473.385803 where: bonds (distance) C4'-P energy: -113.282 bonds (distance) P-C4' energy: -89.032 flat angles C4'-P-C4' energy: -128.105 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: -78.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -682.676517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.676517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.676517 (E_RNA) where: Base-Base interactions energy: -341.354 where: short stacking energy: -198.041 Base-Backbone interact. energy: -0.296 local terms energy: -341.026235 where: bonds (distance) C4'-P energy: -85.846 bonds (distance) P-C4' energy: -111.125 flat angles C4'-P-C4' energy: -93.577 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -6.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2660.273925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.273925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.273925 (E_RNA) where: Base-Base interactions energy: -1889.985 where: short stacking energy: -777.378 Base-Backbone interact. energy: -1.252 local terms energy: -769.037306 where: bonds (distance) C4'-P energy: -136.287 bonds (distance) P-C4' energy: -130.060 flat angles C4'-P-C4' energy: -159.557 flat angles P-C4'-P energy: -114.905 tors. eta vs tors. theta energy: -228.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2591.682898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.682898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.682898 (E_RNA) where: Base-Base interactions energy: -1831.181 where: short stacking energy: -761.421 Base-Backbone interact. energy: -2.238 local terms energy: -758.263841 where: bonds (distance) C4'-P energy: -131.413 bonds (distance) P-C4' energy: -136.009 flat angles C4'-P-C4' energy: -149.861 flat angles P-C4'-P energy: -109.694 tors. eta vs tors. theta energy: -231.287 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: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2544.942491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.942491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.942491 (E_RNA) where: Base-Base interactions energy: -1803.516 where: short stacking energy: -769.241 Base-Backbone interact. energy: -1.261 local terms energy: -740.165342 where: bonds (distance) C4'-P energy: -128.268 bonds (distance) P-C4' energy: -125.943 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -93.373 tors. eta vs tors. theta energy: -246.068 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: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2316.305648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.305648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.305648 (E_RNA) where: Base-Base interactions energy: -1607.505 where: short stacking energy: -659.937 Base-Backbone interact. energy: -0.903 local terms energy: -707.898013 where: bonds (distance) C4'-P energy: -128.879 bonds (distance) P-C4' energy: -133.629 flat angles C4'-P-C4' energy: -142.760 flat angles P-C4'-P energy: -95.908 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: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2210.208069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.208069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.208069 (E_RNA) where: Base-Base interactions energy: -1558.139 where: short stacking energy: -649.597 Base-Backbone interact. energy: -1.762 local terms energy: -650.307546 where: bonds (distance) C4'-P energy: -127.556 bonds (distance) P-C4' energy: -107.905 flat angles C4'-P-C4' energy: -137.962 flat angles P-C4'-P energy: -86.637 tors. eta vs tors. theta energy: -190.248 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: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2153.840110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.840110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.840110 (E_RNA) where: Base-Base interactions energy: -1505.909 where: short stacking energy: -627.681 Base-Backbone interact. energy: -3.214 local terms energy: -644.717421 where: bonds (distance) C4'-P energy: -100.295 bonds (distance) P-C4' energy: -119.318 flat angles C4'-P-C4' energy: -140.390 flat angles P-C4'-P energy: -99.278 tors. eta vs tors. theta energy: -185.437 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: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1727.926500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.926500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.926500 (E_RNA) where: Base-Base interactions energy: -1183.464 where: short stacking energy: -507.084 Base-Backbone interact. energy: -3.760 local terms energy: -540.702852 where: bonds (distance) C4'-P energy: -105.059 bonds (distance) P-C4' energy: -130.670 flat angles C4'-P-C4' energy: -124.982 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: -108.370 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: 151 Temperature: 1.250000 Total energy: -1654.309432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.309432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.309432 (E_RNA) where: Base-Base interactions energy: -1116.092 where: short stacking energy: -481.489 Base-Backbone interact. energy: -0.831 local terms energy: -537.386630 where: bonds (distance) C4'-P energy: -104.472 bonds (distance) P-C4' energy: -110.659 flat angles C4'-P-C4' energy: -110.912 flat angles P-C4'-P energy: -78.776 tors. eta vs tors. theta energy: -132.568 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1362.271594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.271594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.271594 (E_RNA) where: Base-Base interactions energy: -909.968 where: short stacking energy: -389.619 Base-Backbone interact. energy: 1.910 local terms energy: -454.213225 where: bonds (distance) C4'-P energy: -113.711 bonds (distance) P-C4' energy: -106.155 flat angles C4'-P-C4' energy: -91.898 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: -63.043 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: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -724.557682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.557682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.557682 (E_RNA) where: Base-Base interactions energy: -366.268 where: short stacking energy: -233.969 Base-Backbone interact. energy: 0.779 local terms energy: -359.068558 where: bonds (distance) C4'-P energy: -91.689 bonds (distance) P-C4' energy: -108.459 flat angles C4'-P-C4' energy: -89.315 flat angles P-C4'-P energy: -65.787 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2664.707846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.707846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.707846 (E_RNA) where: Base-Base interactions energy: -1878.976 where: short stacking energy: -775.893 Base-Backbone interact. energy: 0.576 local terms energy: -786.307083 where: bonds (distance) C4'-P energy: -127.803 bonds (distance) P-C4' energy: -148.693 flat angles C4'-P-C4' energy: -152.682 flat angles P-C4'-P energy: -120.089 tors. eta vs tors. theta energy: -237.040 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: 152 Temperature: 0.950000 Total energy: -2613.173905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.173905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.173905 (E_RNA) where: Base-Base interactions energy: -1854.315 where: short stacking energy: -785.337 Base-Backbone interact. energy: 2.772 local terms energy: -761.630874 where: bonds (distance) C4'-P energy: -122.379 bonds (distance) P-C4' energy: -125.076 flat angles C4'-P-C4' energy: -154.910 flat angles P-C4'-P energy: -115.578 tors. eta vs tors. theta energy: -243.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2561.862824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.862824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.862824 (E_RNA) where: Base-Base interactions energy: -1794.925 where: short stacking energy: -751.063 Base-Backbone interact. energy: -2.504 local terms energy: -764.434255 where: bonds (distance) C4'-P energy: -131.985 bonds (distance) P-C4' energy: -138.773 flat angles C4'-P-C4' energy: -153.398 flat angles P-C4'-P energy: -101.625 tors. eta vs tors. theta energy: -238.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2286.905165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.905165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.905165 (E_RNA) where: Base-Base interactions energy: -1596.852 where: short stacking energy: -660.339 Base-Backbone interact. energy: -2.857 local terms energy: -687.196099 where: bonds (distance) C4'-P energy: -127.411 bonds (distance) P-C4' energy: -130.426 flat angles C4'-P-C4' energy: -131.437 flat angles P-C4'-P energy: -95.768 tors. eta vs tors. theta energy: -202.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2214.227852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.227852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.227852 (E_RNA) where: Base-Base interactions energy: -1496.592 where: short stacking energy: -628.770 Base-Backbone interact. energy: -1.251 local terms energy: -716.385052 where: bonds (distance) C4'-P energy: -129.987 bonds (distance) P-C4' energy: -136.823 flat angles C4'-P-C4' energy: -142.155 flat angles P-C4'-P energy: -111.147 tors. eta vs tors. theta energy: -196.272 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: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2145.434064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.434064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.434064 (E_RNA) where: Base-Base interactions energy: -1484.960 where: short stacking energy: -610.765 Base-Backbone interact. energy: -7.377 local terms energy: -653.097899 where: bonds (distance) C4'-P energy: -117.403 bonds (distance) P-C4' energy: -111.428 flat angles C4'-P-C4' energy: -147.361 flat angles P-C4'-P energy: -90.156 tors. eta vs tors. theta energy: -186.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1768.958541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.958541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.958541 (E_RNA) where: Base-Base interactions energy: -1204.751 where: short stacking energy: -529.403 Base-Backbone interact. energy: -2.268 local terms energy: -561.939790 where: bonds (distance) C4'-P energy: -116.273 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -122.926 flat angles P-C4'-P energy: -83.398 tors. eta vs tors. theta energy: -125.289 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: 4 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1608.517686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.517686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.517686 (E_RNA) where: Base-Base interactions energy: -1074.042 where: short stacking energy: -461.465 Base-Backbone interact. energy: 0.819 local terms energy: -535.294859 where: bonds (distance) C4'-P energy: -110.329 bonds (distance) P-C4' energy: -107.696 flat angles C4'-P-C4' energy: -103.892 flat angles P-C4'-P energy: -86.283 tors. eta vs tors. theta energy: -127.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1395.997869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.997869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.997869 (E_RNA) where: Base-Base interactions energy: -912.526 where: short stacking energy: -380.883 Base-Backbone interact. energy: 0.137 local terms energy: -483.609195 where: bonds (distance) C4'-P energy: -92.498 bonds (distance) P-C4' energy: -110.912 flat angles C4'-P-C4' energy: -113.379 flat angles P-C4'-P energy: -83.102 tors. eta vs tors. theta energy: -83.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -690.980771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.980771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.980771 (E_RNA) where: Base-Base interactions energy: -332.424 where: short stacking energy: -201.797 Base-Backbone interact. energy: 6.264 local terms energy: -364.819991 where: bonds (distance) C4'-P energy: -94.832 bonds (distance) P-C4' energy: -108.379 flat angles C4'-P-C4' energy: -105.396 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2641.016051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.016051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.016051 (E_RNA) where: Base-Base interactions energy: -1878.219 where: short stacking energy: -765.641 Base-Backbone interact. energy: -1.469 local terms energy: -761.327662 where: bonds (distance) C4'-P energy: -134.228 bonds (distance) P-C4' energy: -130.850 flat angles C4'-P-C4' energy: -159.683 flat angles P-C4'-P energy: -108.686 tors. eta vs tors. theta energy: -227.881 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: 153 Temperature: 0.950000 Total energy: -2609.533510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.533510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.533510 (E_RNA) where: Base-Base interactions energy: -1865.718 where: short stacking energy: -774.140 Base-Backbone interact. energy: -4.743 local terms energy: -739.072952 where: bonds (distance) C4'-P energy: -119.016 bonds (distance) P-C4' energy: -122.330 flat angles C4'-P-C4' energy: -150.133 flat angles P-C4'-P energy: -107.529 tors. eta vs tors. theta energy: -240.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2556.908402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.908402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.908402 (E_RNA) where: Base-Base interactions energy: -1826.365 where: short stacking energy: -733.779 Base-Backbone interact. energy: -1.903 local terms energy: -728.639994 where: bonds (distance) C4'-P energy: -125.565 bonds (distance) P-C4' energy: -113.551 flat angles C4'-P-C4' energy: -154.160 flat angles P-C4'-P energy: -107.478 tors. eta vs tors. theta energy: -227.886 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2314.644295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.644295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.644295 (E_RNA) where: Base-Base interactions energy: -1635.824 where: short stacking energy: -680.053 Base-Backbone interact. energy: -0.217 local terms energy: -678.604060 where: bonds (distance) C4'-P energy: -124.750 bonds (distance) P-C4' energy: -111.124 flat angles C4'-P-C4' energy: -148.745 flat angles P-C4'-P energy: -92.640 tors. eta vs tors. theta energy: -201.345 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: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2245.164047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.164047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.164047 (E_RNA) where: Base-Base interactions energy: -1584.897 where: short stacking energy: -657.326 Base-Backbone interact. energy: -1.180 local terms energy: -659.086863 where: bonds (distance) C4'-P energy: -107.413 bonds (distance) P-C4' energy: -115.749 flat angles C4'-P-C4' energy: -141.722 flat angles P-C4'-P energy: -96.460 tors. eta vs tors. theta energy: -197.743 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: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2145.320621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.320621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.320621 (E_RNA) where: Base-Base interactions energy: -1499.642 where: short stacking energy: -645.874 Base-Backbone interact. energy: -2.062 local terms energy: -643.616612 where: bonds (distance) C4'-P energy: -106.262 bonds (distance) P-C4' energy: -108.561 flat angles C4'-P-C4' energy: -137.519 flat angles P-C4'-P energy: -98.168 tors. eta vs tors. theta energy: -193.107 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: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1819.540458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.540458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.540458 (E_RNA) where: Base-Base interactions energy: -1258.753 where: short stacking energy: -555.110 Base-Backbone interact. energy: -0.660 local terms energy: -560.127099 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -114.374 flat angles C4'-P-C4' energy: -115.376 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -140.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1673.035265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.035265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.035265 (E_RNA) where: Base-Base interactions energy: -1124.249 where: short stacking energy: -487.567 Base-Backbone interact. energy: -2.682 local terms energy: -546.104170 where: bonds (distance) C4'-P energy: -111.250 bonds (distance) P-C4' energy: -119.697 flat angles C4'-P-C4' energy: -126.543 flat angles P-C4'-P energy: -72.822 tors. eta vs tors. theta energy: -115.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1376.738492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.738492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.738492 (E_RNA) where: Base-Base interactions energy: -915.771 where: short stacking energy: -381.530 Base-Backbone interact. energy: -3.275 local terms energy: -457.692788 where: bonds (distance) C4'-P energy: -95.101 bonds (distance) P-C4' energy: -116.730 flat angles C4'-P-C4' energy: -116.452 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -77.417 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: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -729.274943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.274943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.274943 (E_RNA) where: Base-Base interactions energy: -371.344 where: short stacking energy: -187.604 Base-Backbone interact. energy: 2.925 local terms energy: -360.856292 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -130.964 flat angles C4'-P-C4' energy: -82.057 flat angles P-C4'-P energy: -44.181 tors. eta vs tors. theta energy: 0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2653.544752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.544752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.544752 (E_RNA) where: Base-Base interactions energy: -1876.851 where: short stacking energy: -755.499 Base-Backbone interact. energy: -2.550 local terms energy: -774.144173 where: bonds (distance) C4'-P energy: -137.469 bonds (distance) P-C4' energy: -130.617 flat angles C4'-P-C4' energy: -161.268 flat angles P-C4'-P energy: -112.693 tors. eta vs tors. theta energy: -232.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2619.434779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.434779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.434779 (E_RNA) where: Base-Base interactions energy: -1871.669 where: short stacking energy: -781.565 Base-Backbone interact. energy: -0.808 local terms energy: -746.957544 where: bonds (distance) C4'-P energy: -116.405 bonds (distance) P-C4' energy: -127.038 flat angles C4'-P-C4' energy: -144.234 flat angles P-C4'-P energy: -121.179 tors. eta vs tors. theta energy: -238.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2567.220980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.220980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.220980 (E_RNA) where: Base-Base interactions energy: -1812.251 where: short stacking energy: -739.977 Base-Backbone interact. energy: -1.724 local terms energy: -753.245776 where: bonds (distance) C4'-P energy: -120.416 bonds (distance) P-C4' energy: -133.703 flat angles C4'-P-C4' energy: -154.848 flat angles P-C4'-P energy: -114.894 tors. eta vs tors. theta energy: -229.385 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: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2312.476966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.476966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.476966 (E_RNA) where: Base-Base interactions energy: -1609.626 where: short stacking energy: -680.746 Base-Backbone interact. energy: -2.903 local terms energy: -699.947909 where: bonds (distance) C4'-P energy: -115.102 bonds (distance) P-C4' energy: -140.712 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -96.103 tors. eta vs tors. theta energy: -205.654 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: 154 Temperature: 1.100000 Total energy: -2250.382461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.382461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.382461 (E_RNA) where: Base-Base interactions energy: -1577.507 where: short stacking energy: -662.493 Base-Backbone interact. energy: -2.978 local terms energy: -669.897629 where: bonds (distance) C4'-P energy: -116.282 bonds (distance) P-C4' energy: -123.922 flat angles C4'-P-C4' energy: -136.439 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -200.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2107.396468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.396468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.396468 (E_RNA) where: Base-Base interactions energy: -1485.323 where: short stacking energy: -589.325 Base-Backbone interact. energy: -4.164 local terms energy: -617.909697 where: bonds (distance) C4'-P energy: -107.597 bonds (distance) P-C4' energy: -125.611 flat angles C4'-P-C4' energy: -124.471 flat angles P-C4'-P energy: -89.060 tors. eta vs tors. theta energy: -171.170 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: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1789.652277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.652277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.652277 (E_RNA) where: Base-Base interactions energy: -1194.600 where: short stacking energy: -521.843 Base-Backbone interact. energy: -2.089 local terms energy: -592.964245 where: bonds (distance) C4'-P energy: -121.719 bonds (distance) P-C4' energy: -120.587 flat angles C4'-P-C4' energy: -124.864 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -141.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1729.082876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.082876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.082876 (E_RNA) where: Base-Base interactions energy: -1170.011 where: short stacking energy: -507.324 Base-Backbone interact. energy: -0.635 local terms energy: -558.436454 where: bonds (distance) C4'-P energy: -120.351 bonds (distance) P-C4' energy: -123.636 flat angles C4'-P-C4' energy: -121.372 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -124.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1390.020374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.020374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.020374 (E_RNA) where: Base-Base interactions energy: -908.285 where: short stacking energy: -398.588 Base-Backbone interact. energy: -1.303 local terms energy: -480.432146 where: bonds (distance) C4'-P energy: -103.941 bonds (distance) P-C4' energy: -125.825 flat angles C4'-P-C4' energy: -88.260 flat angles P-C4'-P energy: -71.353 tors. eta vs tors. theta energy: -91.054 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: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -682.928054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.928054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.928054 (E_RNA) where: Base-Base interactions energy: -327.826 where: short stacking energy: -216.282 Base-Backbone interact. energy: 3.182 local terms energy: -358.283555 where: bonds (distance) C4'-P energy: -105.304 bonds (distance) P-C4' energy: -109.220 flat angles C4'-P-C4' energy: -94.243 flat angles P-C4'-P energy: -53.142 tors. eta vs tors. theta energy: 3.626 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: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2691.953724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.953724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.953724 (E_RNA) where: Base-Base interactions energy: -1921.647 where: short stacking energy: -794.042 Base-Backbone interact. energy: -2.950 local terms energy: -767.356864 where: bonds (distance) C4'-P energy: -136.189 bonds (distance) P-C4' energy: -132.710 flat angles C4'-P-C4' energy: -162.849 flat angles P-C4'-P energy: -99.233 tors. eta vs tors. theta energy: -236.376 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: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2595.627167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.627167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.627167 (E_RNA) where: Base-Base interactions energy: -1857.402 where: short stacking energy: -766.525 Base-Backbone interact. energy: -0.481 local terms energy: -737.743616 where: bonds (distance) C4'-P energy: -134.396 bonds (distance) P-C4' energy: -116.544 flat angles C4'-P-C4' energy: -154.085 flat angles P-C4'-P energy: -103.412 tors. eta vs tors. theta energy: -229.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2556.295903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.295903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.295903 (E_RNA) where: Base-Base interactions energy: -1812.743 where: short stacking energy: -766.565 Base-Backbone interact. energy: 1.682 local terms energy: -745.234773 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -121.709 flat angles C4'-P-C4' energy: -162.900 flat angles P-C4'-P energy: -97.712 tors. eta vs tors. theta energy: -232.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2293.776208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.776208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.776208 (E_RNA) where: Base-Base interactions energy: -1605.979 where: short stacking energy: -689.348 Base-Backbone interact. energy: -2.204 local terms energy: -685.593013 where: bonds (distance) C4'-P energy: -113.419 bonds (distance) P-C4' energy: -120.149 flat angles C4'-P-C4' energy: -145.904 flat angles P-C4'-P energy: -101.652 tors. eta vs tors. theta energy: -204.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2254.001569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.001569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.001569 (E_RNA) where: Base-Base interactions energy: -1588.832 where: short stacking energy: -650.423 Base-Backbone interact. energy: -1.233 local terms energy: -663.936406 where: bonds (distance) C4'-P energy: -107.777 bonds (distance) P-C4' energy: -128.639 flat angles C4'-P-C4' energy: -139.599 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -196.149 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: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2141.611438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.611438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.611438 (E_RNA) where: Base-Base interactions energy: -1490.224 where: short stacking energy: -638.305 Base-Backbone interact. energy: -1.641 local terms energy: -649.746340 where: bonds (distance) C4'-P energy: -109.824 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -136.971 flat angles P-C4'-P energy: -91.376 tors. eta vs tors. theta energy: -199.057 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: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1799.450766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.450766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.450766 (E_RNA) where: Base-Base interactions energy: -1240.921 where: short stacking energy: -556.187 Base-Backbone interact. energy: -1.920 local terms energy: -556.609586 where: bonds (distance) C4'-P energy: -96.840 bonds (distance) P-C4' energy: -105.558 flat angles C4'-P-C4' energy: -115.236 flat angles P-C4'-P energy: -76.187 tors. eta vs tors. theta energy: -162.788 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: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1736.483223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.483223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.483223 (E_RNA) where: Base-Base interactions energy: -1168.208 where: short stacking energy: -493.819 Base-Backbone interact. energy: -3.326 local terms energy: -564.949247 where: bonds (distance) C4'-P energy: -120.158 bonds (distance) P-C4' energy: -107.134 flat angles C4'-P-C4' energy: -111.518 flat angles P-C4'-P energy: -89.725 tors. eta vs tors. theta energy: -136.415 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: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1443.998452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.998452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.998452 (E_RNA) where: Base-Base interactions energy: -979.937 where: short stacking energy: -418.561 Base-Backbone interact. energy: 1.559 local terms energy: -465.620789 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -113.694 flat angles C4'-P-C4' energy: -88.607 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -96.140 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: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -691.037785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.037785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.037785 (E_RNA) where: Base-Base interactions energy: -322.177 where: short stacking energy: -166.653 Base-Backbone interact. energy: 1.085 local terms energy: -369.945241 where: bonds (distance) C4'-P energy: -97.704 bonds (distance) P-C4' energy: -116.472 flat angles C4'-P-C4' energy: -100.697 flat angles P-C4'-P energy: -65.381 tors. eta vs tors. theta energy: 10.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2660.949120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.949120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.949120 (E_RNA) where: Base-Base interactions energy: -1907.447 where: short stacking energy: -796.553 Base-Backbone interact. energy: -0.049 local terms energy: -753.452391 where: bonds (distance) C4'-P energy: -117.338 bonds (distance) P-C4' energy: -137.749 flat angles C4'-P-C4' energy: -157.862 flat angles P-C4'-P energy: -106.263 tors. eta vs tors. theta energy: -234.241 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: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2619.019633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.019633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.019633 (E_RNA) where: Base-Base interactions energy: -1869.339 where: short stacking energy: -742.240 Base-Backbone interact. energy: -2.803 local terms energy: -746.878014 where: bonds (distance) C4'-P energy: -122.105 bonds (distance) P-C4' energy: -138.389 flat angles C4'-P-C4' energy: -158.095 flat angles P-C4'-P energy: -104.330 tors. eta vs tors. theta energy: -223.959 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: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2525.386343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.386343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.386343 (E_RNA) where: Base-Base interactions energy: -1777.723 where: short stacking energy: -747.290 Base-Backbone interact. energy: 0.665 local terms energy: -748.329142 where: bonds (distance) C4'-P energy: -132.932 bonds (distance) P-C4' energy: -128.010 flat angles C4'-P-C4' energy: -153.683 flat angles P-C4'-P energy: -99.068 tors. eta vs tors. theta energy: -234.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2281.694770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.694770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.694770 (E_RNA) where: Base-Base interactions energy: -1584.285 where: short stacking energy: -658.939 Base-Backbone interact. energy: -1.195 local terms energy: -696.214805 where: bonds (distance) C4'-P energy: -128.883 bonds (distance) P-C4' energy: -124.069 flat angles C4'-P-C4' energy: -145.690 flat angles P-C4'-P energy: -100.152 tors. eta vs tors. theta energy: -197.420 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: 156 Temperature: 1.100000 Total energy: -2215.710368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.710368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.710368 (E_RNA) where: Base-Base interactions energy: -1569.711 where: short stacking energy: -662.342 Base-Backbone interact. energy: -0.929 local terms energy: -645.070195 where: bonds (distance) C4'-P energy: -102.051 bonds (distance) P-C4' energy: -116.251 flat angles C4'-P-C4' energy: -141.593 flat angles P-C4'-P energy: -92.681 tors. eta vs tors. theta energy: -192.495 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: 156 Temperature: 1.150000 Total energy: -2173.088190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.088190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.088190 (E_RNA) where: Base-Base interactions energy: -1510.669 where: short stacking energy: -663.118 Base-Backbone interact. energy: -0.997 local terms energy: -661.422193 where: bonds (distance) C4'-P energy: -120.119 bonds (distance) P-C4' energy: -117.704 flat angles C4'-P-C4' energy: -142.665 flat angles P-C4'-P energy: -91.950 tors. eta vs tors. theta energy: -188.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1793.181232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.181232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.181232 (E_RNA) where: Base-Base interactions energy: -1201.071 where: short stacking energy: -554.862 Base-Backbone interact. energy: -2.645 local terms energy: -589.465583 where: bonds (distance) C4'-P energy: -108.239 bonds (distance) P-C4' energy: -104.298 flat angles C4'-P-C4' energy: -139.147 flat angles P-C4'-P energy: -77.711 tors. eta vs tors. theta energy: -160.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1644.646604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.646604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.646604 (E_RNA) where: Base-Base interactions energy: -1111.015 where: short stacking energy: -489.890 Base-Backbone interact. energy: -3.470 local terms energy: -530.160864 where: bonds (distance) C4'-P energy: -102.593 bonds (distance) P-C4' energy: -111.694 flat angles C4'-P-C4' energy: -118.867 flat angles P-C4'-P energy: -93.433 tors. eta vs tors. theta energy: -103.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1458.437171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.437171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.437171 (E_RNA) where: Base-Base interactions energy: -945.783 where: short stacking energy: -396.700 Base-Backbone interact. energy: 2.870 local terms energy: -515.524843 where: bonds (distance) C4'-P energy: -112.152 bonds (distance) P-C4' energy: -124.394 flat angles C4'-P-C4' energy: -121.148 flat angles P-C4'-P energy: -73.888 tors. eta vs tors. theta energy: -83.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -678.485064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.485064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.485064 (E_RNA) where: Base-Base interactions energy: -323.591 where: short stacking energy: -189.028 Base-Backbone interact. energy: -0.609 local terms energy: -354.284951 where: bonds (distance) C4'-P energy: -102.575 bonds (distance) P-C4' energy: -107.563 flat angles C4'-P-C4' energy: -84.247 flat angles P-C4'-P energy: -60.616 tors. eta vs tors. theta energy: 0.717 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: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2664.073285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.073285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.073285 (E_RNA) where: Base-Base interactions energy: -1897.251 where: short stacking energy: -789.825 Base-Backbone interact. energy: -1.811 local terms energy: -765.011581 where: bonds (distance) C4'-P energy: -128.830 bonds (distance) P-C4' energy: -121.603 flat angles C4'-P-C4' energy: -164.581 flat angles P-C4'-P energy: -108.647 tors. eta vs tors. theta energy: -241.352 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: 157 Temperature: 0.950000 Total energy: -2594.717982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.717982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.717982 (E_RNA) where: Base-Base interactions energy: -1834.222 where: short stacking energy: -766.055 Base-Backbone interact. energy: -1.657 local terms energy: -758.839637 where: bonds (distance) C4'-P energy: -126.659 bonds (distance) P-C4' energy: -142.086 flat angles C4'-P-C4' energy: -162.261 flat angles P-C4'-P energy: -105.309 tors. eta vs tors. theta energy: -222.526 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: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2551.590866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.590866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.590866 (E_RNA) where: Base-Base interactions energy: -1805.454 where: short stacking energy: -724.411 Base-Backbone interact. energy: -0.895 local terms energy: -745.242222 where: bonds (distance) C4'-P energy: -115.794 bonds (distance) P-C4' energy: -144.541 flat angles C4'-P-C4' energy: -155.155 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -232.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2291.907003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.907003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.907003 (E_RNA) where: Base-Base interactions energy: -1609.774 where: short stacking energy: -672.283 Base-Backbone interact. energy: -2.613 local terms energy: -679.520510 where: bonds (distance) C4'-P energy: -118.140 bonds (distance) P-C4' energy: -116.852 flat angles C4'-P-C4' energy: -154.380 flat angles P-C4'-P energy: -86.727 tors. eta vs tors. theta energy: -203.422 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: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2232.803059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.803059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.803059 (E_RNA) where: Base-Base interactions energy: -1544.571 where: short stacking energy: -651.360 Base-Backbone interact. energy: 1.264 local terms energy: -689.496122 where: bonds (distance) C4'-P energy: -123.958 bonds (distance) P-C4' energy: -136.346 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -84.172 tors. eta vs tors. theta energy: -206.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2108.997577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.997577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.997577 (E_RNA) where: Base-Base interactions energy: -1463.455 where: short stacking energy: -600.315 Base-Backbone interact. energy: 1.751 local terms energy: -647.292860 where: bonds (distance) C4'-P energy: -112.292 bonds (distance) P-C4' energy: -118.966 flat angles C4'-P-C4' energy: -136.765 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -182.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1802.182166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.182166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.182166 (E_RNA) where: Base-Base interactions energy: -1225.233 where: short stacking energy: -546.212 Base-Backbone interact. energy: -2.573 local terms energy: -574.375923 where: bonds (distance) C4'-P energy: -110.125 bonds (distance) P-C4' energy: -101.898 flat angles C4'-P-C4' energy: -127.204 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: -164.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1631.034972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.034972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.034972 (E_RNA) where: Base-Base interactions energy: -1089.727 where: short stacking energy: -449.462 Base-Backbone interact. energy: -1.807 local terms energy: -539.500288 where: bonds (distance) C4'-P energy: -122.632 bonds (distance) P-C4' energy: -114.514 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -85.111 tors. eta vs tors. theta energy: -99.561 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: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1459.729884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.729884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.729884 (E_RNA) where: Base-Base interactions energy: -969.355 where: short stacking energy: -398.755 Base-Backbone interact. energy: -1.780 local terms energy: -488.594837 where: bonds (distance) C4'-P energy: -110.569 bonds (distance) P-C4' energy: -117.649 flat angles C4'-P-C4' energy: -120.015 flat angles P-C4'-P energy: -62.111 tors. eta vs tors. theta energy: -78.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -672.499380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.499380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.499380 (E_RNA) where: Base-Base interactions energy: -296.629 where: short stacking energy: -178.346 Base-Backbone interact. energy: 3.172 local terms energy: -379.041705 where: bonds (distance) C4'-P energy: -115.735 bonds (distance) P-C4' energy: -117.565 flat angles C4'-P-C4' energy: -104.147 flat angles P-C4'-P energy: -56.786 tors. eta vs tors. theta energy: 15.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2694.434439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.434439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.434439 (E_RNA) where: Base-Base interactions energy: -1914.854 where: short stacking energy: -794.921 Base-Backbone interact. energy: -1.695 local terms energy: -777.885693 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -133.529 flat angles C4'-P-C4' energy: -156.156 flat angles P-C4'-P energy: -112.694 tors. eta vs tors. theta energy: -240.293 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: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2618.574686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.574686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.574686 (E_RNA) where: Base-Base interactions energy: -1834.140 where: short stacking energy: -749.043 Base-Backbone interact. energy: -2.253 local terms energy: -782.181668 where: bonds (distance) C4'-P energy: -148.840 bonds (distance) P-C4' energy: -136.166 flat angles C4'-P-C4' energy: -158.388 flat angles P-C4'-P energy: -102.488 tors. eta vs tors. theta energy: -236.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2536.561613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.561613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.561613 (E_RNA) where: Base-Base interactions energy: -1769.979 where: short stacking energy: -748.440 Base-Backbone interact. energy: -0.942 local terms energy: -765.640830 where: bonds (distance) C4'-P energy: -137.066 bonds (distance) P-C4' energy: -122.565 flat angles C4'-P-C4' energy: -159.253 flat angles P-C4'-P energy: -106.729 tors. eta vs tors. theta energy: -240.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2307.412268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.412268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.412268 (E_RNA) where: Base-Base interactions energy: -1619.977 where: short stacking energy: -687.903 Base-Backbone interact. energy: -1.882 local terms energy: -685.553007 where: bonds (distance) C4'-P energy: -121.547 bonds (distance) P-C4' energy: -123.875 flat angles C4'-P-C4' energy: -147.151 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -209.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2247.121160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.121160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.121160 (E_RNA) where: Base-Base interactions energy: -1589.001 where: short stacking energy: -656.404 Base-Backbone interact. energy: -0.109 local terms energy: -658.010881 where: bonds (distance) C4'-P energy: -123.607 bonds (distance) P-C4' energy: -115.201 flat angles C4'-P-C4' energy: -140.938 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -194.886 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: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2087.975753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.975753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.975753 (E_RNA) where: Base-Base interactions energy: -1477.962 where: short stacking energy: -602.068 Base-Backbone interact. energy: -1.906 local terms energy: -608.107332 where: bonds (distance) C4'-P energy: -114.841 bonds (distance) P-C4' energy: -99.779 flat angles C4'-P-C4' energy: -138.100 flat angles P-C4'-P energy: -81.600 tors. eta vs tors. theta energy: -173.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1771.369406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.369406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.369406 (E_RNA) where: Base-Base interactions energy: -1191.737 where: short stacking energy: -506.617 Base-Backbone interact. energy: -1.386 local terms energy: -578.246445 where: bonds (distance) C4'-P energy: -108.279 bonds (distance) P-C4' energy: -117.645 flat angles C4'-P-C4' energy: -133.776 flat angles P-C4'-P energy: -87.031 tors. eta vs tors. theta energy: -131.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1600.878124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.878124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.878124 (E_RNA) where: Base-Base interactions energy: -1114.914 where: short stacking energy: -465.665 Base-Backbone interact. energy: -3.005 local terms energy: -482.959087 where: bonds (distance) C4'-P energy: -80.792 bonds (distance) P-C4' energy: -112.268 flat angles C4'-P-C4' energy: -111.773 flat angles P-C4'-P energy: -78.334 tors. eta vs tors. theta energy: -99.792 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: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1526.785638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.785638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.785638 (E_RNA) where: Base-Base interactions energy: -1019.887 where: short stacking energy: -418.890 Base-Backbone interact. energy: -2.690 local terms energy: -504.208672 where: bonds (distance) C4'-P energy: -108.926 bonds (distance) P-C4' energy: -114.938 flat angles C4'-P-C4' energy: -124.706 flat angles P-C4'-P energy: -77.162 tors. eta vs tors. theta energy: -78.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -680.061263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.061263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.061263 (E_RNA) where: Base-Base interactions energy: -330.995 where: short stacking energy: -186.727 Base-Backbone interact. energy: -1.226 local terms energy: -347.840436 where: bonds (distance) C4'-P energy: -108.728 bonds (distance) P-C4' energy: -103.652 flat angles C4'-P-C4' energy: -89.963 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: 13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2696.534647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.534647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.534647 (E_RNA) where: Base-Base interactions energy: -1919.503 where: short stacking energy: -778.440 Base-Backbone interact. energy: -1.272 local terms energy: -775.759091 where: bonds (distance) C4'-P energy: -125.550 bonds (distance) P-C4' energy: -139.271 flat angles C4'-P-C4' energy: -169.019 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -230.073 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: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2591.855556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.855556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.855556 (E_RNA) where: Base-Base interactions energy: -1845.156 where: short stacking energy: -743.515 Base-Backbone interact. energy: 0.560 local terms energy: -747.259082 where: bonds (distance) C4'-P energy: -133.742 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -152.549 flat angles P-C4'-P energy: -98.411 tors. eta vs tors. theta energy: -225.002 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: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2559.339297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.339297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.339297 (E_RNA) where: Base-Base interactions energy: -1826.464 where: short stacking energy: -753.273 Base-Backbone interact. energy: -1.341 local terms energy: -731.534471 where: bonds (distance) C4'-P energy: -124.682 bonds (distance) P-C4' energy: -125.235 flat angles C4'-P-C4' energy: -156.764 flat angles P-C4'-P energy: -99.385 tors. eta vs tors. theta energy: -225.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2283.605976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.605976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.605976 (E_RNA) where: Base-Base interactions energy: -1610.397 where: short stacking energy: -663.233 Base-Backbone interact. energy: -3.262 local terms energy: -669.947069 where: bonds (distance) C4'-P energy: -122.832 bonds (distance) P-C4' energy: -96.741 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -108.634 tors. eta vs tors. theta energy: -193.520 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: 159 Temperature: 1.100000 Total energy: -2285.455956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.455956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.455956 (E_RNA) where: Base-Base interactions energy: -1598.327 where: short stacking energy: -673.432 Base-Backbone interact. energy: 0.773 local terms energy: -687.901105 where: bonds (distance) C4'-P energy: -100.398 bonds (distance) P-C4' energy: -130.844 flat angles C4'-P-C4' energy: -147.581 flat angles P-C4'-P energy: -98.426 tors. eta vs tors. theta energy: -210.652 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: 159 Temperature: 1.150000 Total energy: -2090.841734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.841734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.841734 (E_RNA) where: Base-Base interactions energy: -1441.595 where: short stacking energy: -590.023 Base-Backbone interact. energy: -1.222 local terms energy: -648.025310 where: bonds (distance) C4'-P energy: -104.399 bonds (distance) P-C4' energy: -139.521 flat angles C4'-P-C4' energy: -132.075 flat angles P-C4'-P energy: -107.231 tors. eta vs tors. theta energy: -164.801 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: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1746.352901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.352901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.352901 (E_RNA) where: Base-Base interactions energy: -1164.427 where: short stacking energy: -505.113 Base-Backbone interact. energy: -1.238 local terms energy: -580.687483 where: bonds (distance) C4'-P energy: -110.202 bonds (distance) P-C4' energy: -92.798 flat angles C4'-P-C4' energy: -138.266 flat angles P-C4'-P energy: -99.232 tors. eta vs tors. theta energy: -140.190 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: 159 Temperature: 1.250000 Total energy: -1588.331436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.331436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.331436 (E_RNA) where: Base-Base interactions energy: -1068.791 where: short stacking energy: -455.401 Base-Backbone interact. energy: 7.788 local terms energy: -527.327963 where: bonds (distance) C4'-P energy: -104.115 bonds (distance) P-C4' energy: -128.901 flat angles C4'-P-C4' energy: -128.860 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -100.353 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: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1519.012097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.012097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.012097 (E_RNA) where: Base-Base interactions energy: -1015.620 where: short stacking energy: -432.569 Base-Backbone interact. energy: 3.988 local terms energy: -507.379509 where: bonds (distance) C4'-P energy: -98.971 bonds (distance) P-C4' energy: -119.164 flat angles C4'-P-C4' energy: -117.154 flat angles P-C4'-P energy: -84.258 tors. eta vs tors. theta energy: -87.833 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: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -695.558762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.558762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.558762 (E_RNA) where: Base-Base interactions energy: -349.159 where: short stacking energy: -190.261 Base-Backbone interact. energy: 2.165 local terms energy: -348.564481 where: bonds (distance) C4'-P energy: -85.656 bonds (distance) P-C4' energy: -123.381 flat angles C4'-P-C4' energy: -101.427 flat angles P-C4'-P energy: -40.879 tors. eta vs tors. theta energy: 2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2661.749552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.749552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.749552 (E_RNA) where: Base-Base interactions energy: -1883.125 where: short stacking energy: -775.590 Base-Backbone interact. energy: -2.006 local terms energy: -776.618508 where: bonds (distance) C4'-P energy: -139.448 bonds (distance) P-C4' energy: -145.545 flat angles C4'-P-C4' energy: -160.451 flat angles P-C4'-P energy: -94.936 tors. eta vs tors. theta energy: -236.239 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: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2612.732509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.732509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.732509 (E_RNA) where: Base-Base interactions energy: -1871.660 where: short stacking energy: -783.484 Base-Backbone interact. energy: -3.926 local terms energy: -737.146091 where: bonds (distance) C4'-P energy: -120.196 bonds (distance) P-C4' energy: -121.340 flat angles C4'-P-C4' energy: -154.449 flat angles P-C4'-P energy: -102.710 tors. eta vs tors. theta energy: -238.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2539.534979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.534979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.534979 (E_RNA) where: Base-Base interactions energy: -1807.620 where: short stacking energy: -756.089 Base-Backbone interact. energy: 0.796 local terms energy: -732.711036 where: bonds (distance) C4'-P energy: -131.253 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -150.629 flat angles P-C4'-P energy: -94.558 tors. eta vs tors. theta energy: -237.393 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: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2296.235698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.235698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.235698 (E_RNA) where: Base-Base interactions energy: -1586.099 where: short stacking energy: -661.561 Base-Backbone interact. energy: -3.556 local terms energy: -706.580636 where: bonds (distance) C4'-P energy: -125.589 bonds (distance) P-C4' energy: -132.339 flat angles C4'-P-C4' energy: -148.053 flat angles P-C4'-P energy: -89.094 tors. eta vs tors. theta energy: -211.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2236.550644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.550644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.550644 (E_RNA) where: Base-Base interactions energy: -1569.599 where: short stacking energy: -671.402 Base-Backbone interact. energy: 4.286 local terms energy: -671.238082 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -127.311 flat angles C4'-P-C4' energy: -146.893 flat angles P-C4'-P energy: -97.052 tors. eta vs tors. theta energy: -192.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2144.069792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.069792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.069792 (E_RNA) where: Base-Base interactions energy: -1530.725 where: short stacking energy: -637.611 Base-Backbone interact. energy: -1.075 local terms energy: -612.269575 where: bonds (distance) C4'-P energy: -100.513 bonds (distance) P-C4' energy: -123.194 flat angles C4'-P-C4' energy: -115.263 flat angles P-C4'-P energy: -90.044 tors. eta vs tors. theta energy: -183.255 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: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1770.228484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.228484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.228484 (E_RNA) where: Base-Base interactions energy: -1187.202 where: short stacking energy: -516.738 Base-Backbone interact. energy: -3.942 local terms energy: -579.083724 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -117.352 flat angles C4'-P-C4' energy: -119.188 flat angles P-C4'-P energy: -88.066 tors. eta vs tors. theta energy: -139.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1549.351005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.351005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.351005 (E_RNA) where: Base-Base interactions energy: -1012.584 where: short stacking energy: -426.114 Base-Backbone interact. energy: 0.930 local terms energy: -537.697046 where: bonds (distance) C4'-P energy: -118.164 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -71.406 tors. eta vs tors. theta energy: -106.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1510.129601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.129601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.129601 (E_RNA) where: Base-Base interactions energy: -981.373 where: short stacking energy: -430.057 Base-Backbone interact. energy: 2.615 local terms energy: -531.371433 where: bonds (distance) C4'-P energy: -112.867 bonds (distance) P-C4' energy: -128.920 flat angles C4'-P-C4' energy: -123.965 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -92.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -681.403537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.403537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.403537 (E_RNA) where: Base-Base interactions energy: -302.921 where: short stacking energy: -171.115 Base-Backbone interact. energy: 1.649 local terms energy: -380.130808 where: bonds (distance) C4'-P energy: -111.299 bonds (distance) P-C4' energy: -103.999 flat angles C4'-P-C4' energy: -103.426 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2670.023083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.023083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.023083 (E_RNA) where: Base-Base interactions energy: -1891.069 where: short stacking energy: -770.509 Base-Backbone interact. energy: -2.074 local terms energy: -776.879370 where: bonds (distance) C4'-P energy: -138.541 bonds (distance) P-C4' energy: -135.808 flat angles C4'-P-C4' energy: -155.809 flat angles P-C4'-P energy: -110.328 tors. eta vs tors. theta energy: -236.394 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: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2622.325851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.325851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.325851 (E_RNA) where: Base-Base interactions energy: -1872.689 where: short stacking energy: -770.481 Base-Backbone interact. energy: -0.005 local terms energy: -749.632291 where: bonds (distance) C4'-P energy: -107.927 bonds (distance) P-C4' energy: -113.484 flat angles C4'-P-C4' energy: -161.469 flat angles P-C4'-P energy: -121.588 tors. eta vs tors. theta energy: -245.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2524.495983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.495983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.495983 (E_RNA) where: Base-Base interactions energy: -1811.619 where: short stacking energy: -752.637 Base-Backbone interact. energy: -0.340 local terms energy: -712.537746 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -120.007 flat angles C4'-P-C4' energy: -137.101 flat angles P-C4'-P energy: -103.120 tors. eta vs tors. theta energy: -226.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2292.082666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.082666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.082666 (E_RNA) where: Base-Base interactions energy: -1611.688 where: short stacking energy: -676.885 Base-Backbone interact. energy: 0.756 local terms energy: -681.151483 where: bonds (distance) C4'-P energy: -120.694 bonds (distance) P-C4' energy: -122.094 flat angles C4'-P-C4' energy: -146.722 flat angles P-C4'-P energy: -89.851 tors. eta vs tors. theta energy: -201.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2228.354563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.354563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.354563 (E_RNA) where: Base-Base interactions energy: -1549.437 where: short stacking energy: -645.504 Base-Backbone interact. energy: -3.560 local terms energy: -675.357502 where: bonds (distance) C4'-P energy: -128.907 bonds (distance) P-C4' energy: -118.323 flat angles C4'-P-C4' energy: -146.086 flat angles P-C4'-P energy: -90.423 tors. eta vs tors. theta energy: -191.618 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: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2158.407483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.407483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.407483 (E_RNA) where: Base-Base interactions energy: -1502.662 where: short stacking energy: -611.892 Base-Backbone interact. energy: -1.221 local terms energy: -654.524080 where: bonds (distance) C4'-P energy: -118.604 bonds (distance) P-C4' energy: -124.581 flat angles C4'-P-C4' energy: -146.192 flat angles P-C4'-P energy: -83.064 tors. eta vs tors. theta energy: -182.083 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: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1793.281904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.281904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.281904 (E_RNA) where: Base-Base interactions energy: -1199.761 where: short stacking energy: -552.507 Base-Backbone interact. energy: 0.147 local terms energy: -593.667559 where: bonds (distance) C4'-P energy: -122.806 bonds (distance) P-C4' energy: -116.345 flat angles C4'-P-C4' energy: -127.451 flat angles P-C4'-P energy: -76.065 tors. eta vs tors. theta energy: -151.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1620.750106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.750106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.750106 (E_RNA) where: Base-Base interactions energy: -1104.682 where: short stacking energy: -487.059 Base-Backbone interact. energy: 3.724 local terms energy: -519.791509 where: bonds (distance) C4'-P energy: -124.571 bonds (distance) P-C4' energy: -113.574 flat angles C4'-P-C4' energy: -112.111 flat angles P-C4'-P energy: -61.710 tors. eta vs tors. theta energy: -107.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1483.029387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.029387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.029387 (E_RNA) where: Base-Base interactions energy: -969.798 where: short stacking energy: -420.120 Base-Backbone interact. energy: -0.399 local terms energy: -512.832143 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -121.149 flat angles C4'-P-C4' energy: -122.401 flat angles P-C4'-P energy: -65.635 tors. eta vs tors. theta energy: -97.671 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: 161 Temperature: 1.350000 Total energy: -636.979496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.979496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.979496 (E_RNA) where: Base-Base interactions energy: -308.370 where: short stacking energy: -177.262 Base-Backbone interact. energy: 4.467 local terms energy: -333.076114 where: bonds (distance) C4'-P energy: -84.346 bonds (distance) P-C4' energy: -127.821 flat angles C4'-P-C4' energy: -68.096 flat angles P-C4'-P energy: -58.280 tors. eta vs tors. theta energy: 5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2666.281518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.281518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.281518 (E_RNA) where: Base-Base interactions energy: -1876.481 where: short stacking energy: -779.992 Base-Backbone interact. energy: -3.456 local terms energy: -786.344455 where: bonds (distance) C4'-P energy: -124.017 bonds (distance) P-C4' energy: -147.091 flat angles C4'-P-C4' energy: -166.506 flat angles P-C4'-P energy: -108.438 tors. eta vs tors. theta energy: -240.292 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: 162 Temperature: 0.950000 Total energy: -2611.678276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.678276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.678276 (E_RNA) where: Base-Base interactions energy: -1888.009 where: short stacking energy: -773.102 Base-Backbone interact. energy: -2.675 local terms energy: -720.994560 where: bonds (distance) C4'-P energy: -113.479 bonds (distance) P-C4' energy: -135.858 flat angles C4'-P-C4' energy: -151.142 flat angles P-C4'-P energy: -78.830 tors. eta vs tors. theta energy: -241.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2532.018520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.018520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.018520 (E_RNA) where: Base-Base interactions energy: -1797.175 where: short stacking energy: -755.771 Base-Backbone interact. energy: -1.322 local terms energy: -733.521811 where: bonds (distance) C4'-P energy: -120.019 bonds (distance) P-C4' energy: -117.411 flat angles C4'-P-C4' energy: -147.825 flat angles P-C4'-P energy: -113.363 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: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2287.261672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.261672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.261672 (E_RNA) where: Base-Base interactions energy: -1610.777 where: short stacking energy: -678.005 Base-Backbone interact. energy: 3.248 local terms energy: -679.732862 where: bonds (distance) C4'-P energy: -117.639 bonds (distance) P-C4' energy: -111.355 flat angles C4'-P-C4' energy: -143.582 flat angles P-C4'-P energy: -99.429 tors. eta vs tors. theta energy: -207.727 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: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2230.254917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.254917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.254917 (E_RNA) where: Base-Base interactions energy: -1576.678 where: short stacking energy: -655.041 Base-Backbone interact. energy: -0.551 local terms energy: -653.025723 where: bonds (distance) C4'-P energy: -124.451 bonds (distance) P-C4' energy: -116.458 flat angles C4'-P-C4' energy: -143.706 flat angles P-C4'-P energy: -85.472 tors. eta vs tors. theta energy: -182.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2111.409953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.409953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.409953 (E_RNA) where: Base-Base interactions energy: -1452.653 where: short stacking energy: -609.248 Base-Backbone interact. energy: -2.322 local terms energy: -656.435466 where: bonds (distance) C4'-P energy: -99.709 bonds (distance) P-C4' energy: -130.575 flat angles C4'-P-C4' energy: -148.093 flat angles P-C4'-P energy: -94.110 tors. eta vs tors. theta energy: -183.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1773.181978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.181978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.181978 (E_RNA) where: Base-Base interactions energy: -1186.275 where: short stacking energy: -538.392 Base-Backbone interact. energy: -0.203 local terms energy: -586.703230 where: bonds (distance) C4'-P energy: -123.265 bonds (distance) P-C4' energy: -98.397 flat angles C4'-P-C4' energy: -126.212 flat angles P-C4'-P energy: -86.368 tors. eta vs tors. theta energy: -152.461 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: 162 Temperature: 1.250000 Total energy: -1591.075365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.075365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.075365 (E_RNA) where: Base-Base interactions energy: -1082.402 where: short stacking energy: -455.494 Base-Backbone interact. energy: 0.171 local terms energy: -508.843858 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -120.816 flat angles C4'-P-C4' energy: -114.110 flat angles P-C4'-P energy: -68.354 tors. eta vs tors. theta energy: -95.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1462.725392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.725392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.725392 (E_RNA) where: Base-Base interactions energy: -979.321 where: short stacking energy: -417.799 Base-Backbone interact. energy: -1.083 local terms energy: -482.321816 where: bonds (distance) C4'-P energy: -76.015 bonds (distance) P-C4' energy: -129.764 flat angles C4'-P-C4' energy: -122.970 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: -85.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -738.393985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.393985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.393985 (E_RNA) where: Base-Base interactions energy: -362.011 where: short stacking energy: -197.372 Base-Backbone interact. energy: -2.711 local terms energy: -373.671458 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -104.756 flat angles C4'-P-C4' energy: -105.948 flat angles P-C4'-P energy: -60.156 tors. eta vs tors. theta energy: 9.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2648.432532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.432532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.432532 (E_RNA) where: Base-Base interactions energy: -1885.976 where: short stacking energy: -782.899 Base-Backbone interact. energy: -0.895 local terms energy: -761.561468 where: bonds (distance) C4'-P energy: -122.947 bonds (distance) P-C4' energy: -143.796 flat angles C4'-P-C4' energy: -158.501 flat angles P-C4'-P energy: -106.281 tors. eta vs tors. theta energy: -230.036 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: 163 Temperature: 0.950000 Total energy: -2603.698049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.698049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.698049 (E_RNA) where: Base-Base interactions energy: -1859.380 where: short stacking energy: -768.422 Base-Backbone interact. energy: -2.513 local terms energy: -741.804663 where: bonds (distance) C4'-P energy: -123.001 bonds (distance) P-C4' energy: -138.364 flat angles C4'-P-C4' energy: -153.842 flat angles P-C4'-P energy: -98.969 tors. eta vs tors. theta energy: -227.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2596.638948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.638948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.638948 (E_RNA) where: Base-Base interactions energy: -1825.879 where: short stacking energy: -773.729 Base-Backbone interact. energy: -0.321 local terms energy: -770.438996 where: bonds (distance) C4'-P energy: -130.087 bonds (distance) P-C4' energy: -133.039 flat angles C4'-P-C4' energy: -157.148 flat angles P-C4'-P energy: -113.726 tors. eta vs tors. theta energy: -236.439 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: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2298.172484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.172484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.172484 (E_RNA) where: Base-Base interactions energy: -1609.719 where: short stacking energy: -681.045 Base-Backbone interact. energy: -4.365 local terms energy: -684.088943 where: bonds (distance) C4'-P energy: -118.917 bonds (distance) P-C4' energy: -116.204 flat angles C4'-P-C4' energy: -144.865 flat angles P-C4'-P energy: -101.246 tors. eta vs tors. theta energy: -202.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2221.469265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.469265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.469265 (E_RNA) where: Base-Base interactions energy: -1540.735 where: short stacking energy: -635.598 Base-Backbone interact. energy: -1.029 local terms energy: -679.704836 where: bonds (distance) C4'-P energy: -127.200 bonds (distance) P-C4' energy: -133.980 flat angles C4'-P-C4' energy: -150.200 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -174.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2111.865243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.865243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.865243 (E_RNA) where: Base-Base interactions energy: -1460.541 where: short stacking energy: -591.368 Base-Backbone interact. energy: 0.486 local terms energy: -651.809578 where: bonds (distance) C4'-P energy: -124.126 bonds (distance) P-C4' energy: -125.239 flat angles C4'-P-C4' energy: -133.897 flat angles P-C4'-P energy: -98.653 tors. eta vs tors. theta energy: -169.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1781.890981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.890981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.890981 (E_RNA) where: Base-Base interactions energy: -1191.510 where: short stacking energy: -524.192 Base-Backbone interact. energy: -1.151 local terms energy: -589.229914 where: bonds (distance) C4'-P energy: -116.394 bonds (distance) P-C4' energy: -119.380 flat angles C4'-P-C4' energy: -123.492 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -145.956 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: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1570.268524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.268524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.268524 (E_RNA) where: Base-Base interactions energy: -1032.637 where: short stacking energy: -443.078 Base-Backbone interact. energy: 6.023 local terms energy: -543.654626 where: bonds (distance) C4'-P energy: -122.380 bonds (distance) P-C4' energy: -110.180 flat angles C4'-P-C4' energy: -123.868 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -106.886 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: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1398.650281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.650281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.650281 (E_RNA) where: Base-Base interactions energy: -897.406 where: short stacking energy: -388.379 Base-Backbone interact. energy: -0.430 local terms energy: -500.813815 where: bonds (distance) C4'-P energy: -97.721 bonds (distance) P-C4' energy: -117.701 flat angles C4'-P-C4' energy: -118.692 flat angles P-C4'-P energy: -74.466 tors. eta vs tors. theta energy: -92.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -719.315416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.315416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.315416 (E_RNA) where: Base-Base interactions energy: -350.465 where: short stacking energy: -209.946 Base-Backbone interact. energy: 2.506 local terms energy: -371.355841 where: bonds (distance) C4'-P energy: -98.434 bonds (distance) P-C4' energy: -110.150 flat angles C4'-P-C4' energy: -101.487 flat angles P-C4'-P energy: -46.983 tors. eta vs tors. theta energy: -14.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2661.977940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.977940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.977940 (E_RNA) where: Base-Base interactions energy: -1874.406 where: short stacking energy: -755.129 Base-Backbone interact. energy: -4.418 local terms energy: -783.154399 where: bonds (distance) C4'-P energy: -129.510 bonds (distance) P-C4' energy: -144.835 flat angles C4'-P-C4' energy: -162.150 flat angles P-C4'-P energy: -108.657 tors. eta vs tors. theta energy: -238.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2629.714558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.714558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.714558 (E_RNA) where: Base-Base interactions energy: -1863.913 where: short stacking energy: -774.589 Base-Backbone interact. energy: 1.493 local terms energy: -767.294247 where: bonds (distance) C4'-P energy: -135.685 bonds (distance) P-C4' energy: -128.656 flat angles C4'-P-C4' energy: -154.384 flat angles P-C4'-P energy: -110.838 tors. eta vs tors. theta energy: -237.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2535.636740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.636740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.636740 (E_RNA) where: Base-Base interactions energy: -1807.023 where: short stacking energy: -771.194 Base-Backbone interact. energy: -0.738 local terms energy: -727.876182 where: bonds (distance) C4'-P energy: -129.585 bonds (distance) P-C4' energy: -121.523 flat angles C4'-P-C4' energy: -147.779 flat angles P-C4'-P energy: -95.388 tors. eta vs tors. theta energy: -233.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2293.848250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.848250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.848250 (E_RNA) where: Base-Base interactions energy: -1618.320 where: short stacking energy: -668.076 Base-Backbone interact. energy: -5.039 local terms energy: -670.490031 where: bonds (distance) C4'-P energy: -109.846 bonds (distance) P-C4' energy: -119.003 flat angles C4'-P-C4' energy: -136.872 flat angles P-C4'-P energy: -105.100 tors. eta vs tors. theta energy: -199.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2178.452447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.452447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.452447 (E_RNA) where: Base-Base interactions energy: -1515.336 where: short stacking energy: -626.721 Base-Backbone interact. energy: -1.361 local terms energy: -661.755016 where: bonds (distance) C4'-P energy: -110.222 bonds (distance) P-C4' energy: -121.286 flat angles C4'-P-C4' energy: -149.051 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -185.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2166.793246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.793246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.793246 (E_RNA) where: Base-Base interactions energy: -1531.112 where: short stacking energy: -618.768 Base-Backbone interact. energy: -2.603 local terms energy: -633.078157 where: bonds (distance) C4'-P energy: -98.741 bonds (distance) P-C4' energy: -115.904 flat angles C4'-P-C4' energy: -142.779 flat angles P-C4'-P energy: -88.887 tors. eta vs tors. theta energy: -186.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1792.343000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.343000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.343000 (E_RNA) where: Base-Base interactions energy: -1201.319 where: short stacking energy: -540.551 Base-Backbone interact. energy: -0.572 local terms energy: -590.451861 where: bonds (distance) C4'-P energy: -108.228 bonds (distance) P-C4' energy: -124.011 flat angles C4'-P-C4' energy: -132.489 flat angles P-C4'-P energy: -79.453 tors. eta vs tors. theta energy: -146.271 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: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1609.503324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.503324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.503324 (E_RNA) where: Base-Base interactions energy: -1082.060 where: short stacking energy: -460.393 Base-Backbone interact. energy: 1.613 local terms energy: -529.057035 where: bonds (distance) C4'-P energy: -97.421 bonds (distance) P-C4' energy: -110.426 flat angles C4'-P-C4' energy: -121.622 flat angles P-C4'-P energy: -85.687 tors. eta vs tors. theta energy: -113.900 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: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1424.794487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.794487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.794487 (E_RNA) where: Base-Base interactions energy: -924.281 where: short stacking energy: -413.873 Base-Backbone interact. energy: -2.195 local terms energy: -498.318889 where: bonds (distance) C4'-P energy: -97.055 bonds (distance) P-C4' energy: -111.060 flat angles C4'-P-C4' energy: -121.130 flat angles P-C4'-P energy: -74.832 tors. eta vs tors. theta energy: -94.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -750.767684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.767684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.767684 (E_RNA) where: Base-Base interactions energy: -356.799 where: short stacking energy: -183.125 Base-Backbone interact. energy: -1.645 local terms energy: -392.324094 where: bonds (distance) C4'-P energy: -124.789 bonds (distance) P-C4' energy: -120.366 flat angles C4'-P-C4' energy: -97.136 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: 7.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2663.021142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.021142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.021142 (E_RNA) where: Base-Base interactions energy: -1931.404 where: short stacking energy: -798.130 Base-Backbone interact. energy: -2.078 local terms energy: -729.539852 where: bonds (distance) C4'-P energy: -118.348 bonds (distance) P-C4' energy: -126.932 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -86.706 tors. eta vs tors. theta energy: -241.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2619.262304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.262304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.262304 (E_RNA) where: Base-Base interactions energy: -1858.884 where: short stacking energy: -777.461 Base-Backbone interact. energy: -1.146 local terms energy: -759.232581 where: bonds (distance) C4'-P energy: -124.306 bonds (distance) P-C4' energy: -129.745 flat angles C4'-P-C4' energy: -155.553 flat angles P-C4'-P energy: -110.706 tors. eta vs tors. theta energy: -238.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2524.316957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.316957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.316957 (E_RNA) where: Base-Base interactions energy: -1779.417 where: short stacking energy: -736.207 Base-Backbone interact. energy: -0.971 local terms energy: -743.928953 where: bonds (distance) C4'-P energy: -120.162 bonds (distance) P-C4' energy: -128.281 flat angles C4'-P-C4' energy: -151.768 flat angles P-C4'-P energy: -110.275 tors. eta vs tors. theta energy: -233.443 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: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2274.243351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.243351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.243351 (E_RNA) where: Base-Base interactions energy: -1596.253 where: short stacking energy: -663.790 Base-Backbone interact. energy: -2.526 local terms energy: -675.464174 where: bonds (distance) C4'-P energy: -119.419 bonds (distance) P-C4' energy: -117.470 flat angles C4'-P-C4' energy: -138.611 flat angles P-C4'-P energy: -96.533 tors. eta vs tors. theta energy: -203.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2195.285536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.285536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.285536 (E_RNA) where: Base-Base interactions energy: -1529.470 where: short stacking energy: -652.836 Base-Backbone interact. energy: 2.812 local terms energy: -668.627589 where: bonds (distance) C4'-P energy: -107.361 bonds (distance) P-C4' energy: -116.392 flat angles C4'-P-C4' energy: -155.945 flat angles P-C4'-P energy: -100.022 tors. eta vs tors. theta energy: -188.907 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: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2156.149608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.149608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.149608 (E_RNA) where: Base-Base interactions energy: -1526.604 where: short stacking energy: -623.814 Base-Backbone interact. energy: -0.901 local terms energy: -628.644393 where: bonds (distance) C4'-P energy: -119.425 bonds (distance) P-C4' energy: -91.830 flat angles C4'-P-C4' energy: -148.542 flat angles P-C4'-P energy: -91.819 tors. eta vs tors. theta energy: -177.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1814.163969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.163969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.163969 (E_RNA) where: Base-Base interactions energy: -1216.980 where: short stacking energy: -544.426 Base-Backbone interact. energy: -3.113 local terms energy: -594.071173 where: bonds (distance) C4'-P energy: -110.368 bonds (distance) P-C4' energy: -104.234 flat angles C4'-P-C4' energy: -131.102 flat angles P-C4'-P energy: -94.379 tors. eta vs tors. theta energy: -153.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1633.670464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.670464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.670464 (E_RNA) where: Base-Base interactions energy: -1113.457 where: short stacking energy: -498.008 Base-Backbone interact. energy: 1.301 local terms energy: -521.515259 where: bonds (distance) C4'-P energy: -84.796 bonds (distance) P-C4' energy: -99.665 flat angles C4'-P-C4' energy: -141.186 flat angles P-C4'-P energy: -77.380 tors. eta vs tors. theta energy: -118.488 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: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1428.415470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.415470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.415470 (E_RNA) where: Base-Base interactions energy: -919.593 where: short stacking energy: -409.583 Base-Backbone interact. energy: -2.145 local terms energy: -506.677824 where: bonds (distance) C4'-P energy: -105.617 bonds (distance) P-C4' energy: -123.039 flat angles C4'-P-C4' energy: -126.200 flat angles P-C4'-P energy: -62.641 tors. eta vs tors. theta energy: -89.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -668.609706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.609706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.609706 (E_RNA) where: Base-Base interactions energy: -312.695 where: short stacking energy: -189.566 Base-Backbone interact. energy: -3.422 local terms energy: -352.492707 where: bonds (distance) C4'-P energy: -99.464 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -96.626 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: 7.661 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: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2672.957723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.957723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.957723 (E_RNA) where: Base-Base interactions energy: -1907.982 where: short stacking energy: -804.693 Base-Backbone interact. energy: 1.256 local terms energy: -766.232043 where: bonds (distance) C4'-P energy: -119.591 bonds (distance) P-C4' energy: -137.770 flat angles C4'-P-C4' energy: -151.287 flat angles P-C4'-P energy: -117.222 tors. eta vs tors. theta energy: -240.363 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: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2598.613176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.613176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.613176 (E_RNA) where: Base-Base interactions energy: -1834.663 where: short stacking energy: -760.660 Base-Backbone interact. energy: -1.774 local terms energy: -762.176175 where: bonds (distance) C4'-P energy: -130.342 bonds (distance) P-C4' energy: -134.034 flat angles C4'-P-C4' energy: -155.153 flat angles P-C4'-P energy: -104.129 tors. eta vs tors. theta energy: -238.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2551.434407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.434407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.434407 (E_RNA) where: Base-Base interactions energy: -1803.472 where: short stacking energy: -761.209 Base-Backbone interact. energy: -0.601 local terms energy: -747.362234 where: bonds (distance) C4'-P energy: -133.392 bonds (distance) P-C4' energy: -130.012 flat angles C4'-P-C4' energy: -155.231 flat angles P-C4'-P energy: -94.857 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2315.704413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.704413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.704413 (E_RNA) where: Base-Base interactions energy: -1618.648 where: short stacking energy: -703.838 Base-Backbone interact. energy: -0.778 local terms energy: -696.279184 where: bonds (distance) C4'-P energy: -116.177 bonds (distance) P-C4' energy: -133.526 flat angles C4'-P-C4' energy: -148.077 flat angles P-C4'-P energy: -95.063 tors. eta vs tors. theta energy: -203.435 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: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2208.910738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.910738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.910738 (E_RNA) where: Base-Base interactions energy: -1531.072 where: short stacking energy: -650.128 Base-Backbone interact. energy: -2.888 local terms energy: -674.950091 where: bonds (distance) C4'-P energy: -117.155 bonds (distance) P-C4' energy: -126.125 flat angles C4'-P-C4' energy: -142.367 flat angles P-C4'-P energy: -92.627 tors. eta vs tors. theta energy: -196.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2190.781933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.781933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.781933 (E_RNA) where: Base-Base interactions energy: -1552.629 where: short stacking energy: -650.886 Base-Backbone interact. energy: -1.199 local terms energy: -636.953718 where: bonds (distance) C4'-P energy: -100.766 bonds (distance) P-C4' energy: -105.430 flat angles C4'-P-C4' energy: -141.316 flat angles P-C4'-P energy: -91.289 tors. eta vs tors. theta energy: -198.153 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: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1856.330394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.330394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.330394 (E_RNA) where: Base-Base interactions energy: -1261.897 where: short stacking energy: -546.144 Base-Backbone interact. energy: -1.896 local terms energy: -592.537748 where: bonds (distance) C4'-P energy: -117.899 bonds (distance) P-C4' energy: -109.654 flat angles C4'-P-C4' energy: -132.620 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -152.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1587.395138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.395138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.395138 (E_RNA) where: Base-Base interactions energy: -1085.487 where: short stacking energy: -450.167 Base-Backbone interact. energy: -2.562 local terms energy: -499.345746 where: bonds (distance) C4'-P energy: -101.250 bonds (distance) P-C4' energy: -127.844 flat angles C4'-P-C4' energy: -96.048 flat angles P-C4'-P energy: -69.854 tors. eta vs tors. theta energy: -104.349 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: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1377.555414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.555414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.555414 (E_RNA) where: Base-Base interactions energy: -887.797 where: short stacking energy: -366.438 Base-Backbone interact. energy: -1.153 local terms energy: -488.605981 where: bonds (distance) C4'-P energy: -104.397 bonds (distance) P-C4' energy: -123.912 flat angles C4'-P-C4' energy: -108.749 flat angles P-C4'-P energy: -78.805 tors. eta vs tors. theta energy: -72.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -706.707848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.707848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.707848 (E_RNA) where: Base-Base interactions energy: -335.166 where: short stacking energy: -228.642 Base-Backbone interact. energy: 3.928 local terms energy: -375.469894 where: bonds (distance) C4'-P energy: -114.753 bonds (distance) P-C4' energy: -106.529 flat angles C4'-P-C4' energy: -96.216 flat angles P-C4'-P energy: -53.451 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2655.189995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.189995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.189995 (E_RNA) where: Base-Base interactions energy: -1883.823 where: short stacking energy: -778.002 Base-Backbone interact. energy: -0.885 local terms energy: -770.482643 where: bonds (distance) C4'-P energy: -141.335 bonds (distance) P-C4' energy: -130.768 flat angles C4'-P-C4' energy: -156.014 flat angles P-C4'-P energy: -105.096 tors. eta vs tors. theta energy: -237.269 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: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2619.913192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.913192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.913192 (E_RNA) where: Base-Base interactions energy: -1881.994 where: short stacking energy: -769.756 Base-Backbone interact. energy: -1.355 local terms energy: -736.564733 where: bonds (distance) C4'-P energy: -120.296 bonds (distance) P-C4' energy: -144.446 flat angles C4'-P-C4' energy: -157.783 flat angles P-C4'-P energy: -87.028 tors. eta vs tors. theta energy: -227.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2540.082407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.082407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.082407 (E_RNA) where: Base-Base interactions energy: -1802.638 where: short stacking energy: -747.915 Base-Backbone interact. energy: 1.975 local terms energy: -739.418898 where: bonds (distance) C4'-P energy: -135.110 bonds (distance) P-C4' energy: -129.126 flat angles C4'-P-C4' energy: -144.281 flat angles P-C4'-P energy: -99.195 tors. eta vs tors. theta energy: -231.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2263.214248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.214248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.214248 (E_RNA) where: Base-Base interactions energy: -1594.364 where: short stacking energy: -665.103 Base-Backbone interact. energy: 1.708 local terms energy: -670.558921 where: bonds (distance) C4'-P energy: -110.210 bonds (distance) P-C4' energy: -123.399 flat angles C4'-P-C4' energy: -152.400 flat angles P-C4'-P energy: -88.678 tors. eta vs tors. theta energy: -195.872 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: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2265.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.867035 (E_RNA) where: Base-Base interactions energy: -1598.431 where: short stacking energy: -664.772 Base-Backbone interact. energy: -5.081 local terms energy: -662.355032 where: bonds (distance) C4'-P energy: -117.640 bonds (distance) P-C4' energy: -119.603 flat angles C4'-P-C4' energy: -137.799 flat angles P-C4'-P energy: -85.379 tors. eta vs tors. theta energy: -201.934 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: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2143.575784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.575784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.575784 (E_RNA) where: Base-Base interactions energy: -1498.776 where: short stacking energy: -649.063 Base-Backbone interact. energy: -2.425 local terms energy: -642.374405 where: bonds (distance) C4'-P energy: -107.128 bonds (distance) P-C4' energy: -109.883 flat angles C4'-P-C4' energy: -138.997 flat angles P-C4'-P energy: -91.138 tors. eta vs tors. theta energy: -195.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1812.635108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.635108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.635108 (E_RNA) where: Base-Base interactions energy: -1232.565 where: short stacking energy: -535.506 Base-Backbone interact. energy: -0.081 local terms energy: -579.989202 where: bonds (distance) C4'-P energy: -99.747 bonds (distance) P-C4' energy: -120.089 flat angles C4'-P-C4' energy: -136.728 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -144.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1616.279682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.279682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.279682 (E_RNA) where: Base-Base interactions energy: -1078.060 where: short stacking energy: -454.088 Base-Backbone interact. energy: 4.603 local terms energy: -542.822462 where: bonds (distance) C4'-P energy: -113.349 bonds (distance) P-C4' energy: -135.086 flat angles C4'-P-C4' energy: -124.143 flat angles P-C4'-P energy: -79.731 tors. eta vs tors. theta energy: -90.513 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: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1395.222627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.222627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.222627 (E_RNA) where: Base-Base interactions energy: -917.663 where: short stacking energy: -382.775 Base-Backbone interact. energy: -3.559 local terms energy: -474.000856 where: bonds (distance) C4'-P energy: -110.741 bonds (distance) P-C4' energy: -113.096 flat angles C4'-P-C4' energy: -105.317 flat angles P-C4'-P energy: -67.886 tors. eta vs tors. theta energy: -76.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -708.990817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.990817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.990817 (E_RNA) where: Base-Base interactions energy: -337.706 where: short stacking energy: -215.111 Base-Backbone interact. energy: 4.434 local terms energy: -375.718981 where: bonds (distance) C4'-P energy: -116.311 bonds (distance) P-C4' energy: -118.682 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -58.171 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2647.127140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.127140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.127140 (E_RNA) where: Base-Base interactions energy: -1869.345 where: short stacking energy: -769.654 Base-Backbone interact. energy: -1.670 local terms energy: -776.111754 where: bonds (distance) C4'-P energy: -148.329 bonds (distance) P-C4' energy: -135.224 flat angles C4'-P-C4' energy: -150.500 flat angles P-C4'-P energy: -105.268 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: 168 Temperature: 0.950000 Total energy: -2612.787284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.787284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.787284 (E_RNA) where: Base-Base interactions energy: -1844.712 where: short stacking energy: -731.834 Base-Backbone interact. energy: -1.643 local terms energy: -766.431918 where: bonds (distance) C4'-P energy: -138.761 bonds (distance) P-C4' energy: -123.047 flat angles C4'-P-C4' energy: -158.896 flat angles P-C4'-P energy: -110.031 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: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2554.820816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.820816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.820816 (E_RNA) where: Base-Base interactions energy: -1811.931 where: short stacking energy: -763.864 Base-Backbone interact. energy: -0.552 local terms energy: -742.337807 where: bonds (distance) C4'-P energy: -123.371 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -156.674 flat angles P-C4'-P energy: -94.680 tors. eta vs tors. theta energy: -235.068 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: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2277.026830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.026830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.026830 (E_RNA) where: Base-Base interactions energy: -1582.789 where: short stacking energy: -700.918 Base-Backbone interact. energy: -1.252 local terms energy: -692.986557 where: bonds (distance) C4'-P energy: -121.301 bonds (distance) P-C4' energy: -130.317 flat angles C4'-P-C4' energy: -137.946 flat angles P-C4'-P energy: -103.400 tors. eta vs tors. theta energy: -200.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2294.321304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.321304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.321304 (E_RNA) where: Base-Base interactions energy: -1615.312 where: short stacking energy: -665.653 Base-Backbone interact. energy: -0.076 local terms energy: -678.933046 where: bonds (distance) C4'-P energy: -103.444 bonds (distance) P-C4' energy: -134.183 flat angles C4'-P-C4' energy: -140.198 flat angles P-C4'-P energy: -99.856 tors. eta vs tors. theta energy: -201.251 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: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2124.847675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.847675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.847675 (E_RNA) where: Base-Base interactions energy: -1497.674 where: short stacking energy: -612.540 Base-Backbone interact. energy: -0.381 local terms energy: -626.792093 where: bonds (distance) C4'-P energy: -111.802 bonds (distance) P-C4' energy: -100.016 flat angles C4'-P-C4' energy: -151.254 flat angles P-C4'-P energy: -80.949 tors. eta vs tors. theta energy: -182.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1891.477246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.477246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.477246 (E_RNA) where: Base-Base interactions energy: -1297.507 where: short stacking energy: -543.712 Base-Backbone interact. energy: -0.320 local terms energy: -593.649878 where: bonds (distance) C4'-P energy: -106.617 bonds (distance) P-C4' energy: -111.034 flat angles C4'-P-C4' energy: -139.348 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -162.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1589.654477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.654477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.654477 (E_RNA) where: Base-Base interactions energy: -1085.659 where: short stacking energy: -469.339 Base-Backbone interact. energy: 0.261 local terms energy: -504.256255 where: bonds (distance) C4'-P energy: -95.573 bonds (distance) P-C4' energy: -107.277 flat angles C4'-P-C4' energy: -117.595 flat angles P-C4'-P energy: -83.992 tors. eta vs tors. theta energy: -99.820 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: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1347.172080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.172080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.172080 (E_RNA) where: Base-Base interactions energy: -836.490 where: short stacking energy: -394.644 Base-Backbone interact. energy: 2.322 local terms energy: -513.004469 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -111.234 flat angles C4'-P-C4' energy: -114.590 flat angles P-C4'-P energy: -81.615 tors. eta vs tors. theta energy: -86.905 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: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -657.523153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.523153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.523153 (E_RNA) where: Base-Base interactions energy: -329.107 where: short stacking energy: -197.154 Base-Backbone interact. energy: -1.557 local terms energy: -326.859362 where: bonds (distance) C4'-P energy: -71.165 bonds (distance) P-C4' energy: -111.461 flat angles C4'-P-C4' energy: -88.789 flat angles P-C4'-P energy: -56.711 tors. eta vs tors. theta energy: 1.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2671.316197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.316197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.316197 (E_RNA) where: Base-Base interactions energy: -1901.793 where: short stacking energy: -781.757 Base-Backbone interact. energy: -1.235 local terms energy: -768.288129 where: bonds (distance) C4'-P energy: -119.466 bonds (distance) P-C4' energy: -145.536 flat angles C4'-P-C4' energy: -158.443 flat angles P-C4'-P energy: -108.017 tors. eta vs tors. theta energy: -236.827 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: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2626.643487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.643487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.643487 (E_RNA) where: Base-Base interactions energy: -1861.343 where: short stacking energy: -765.501 Base-Backbone interact. energy: -3.370 local terms energy: -761.931096 where: bonds (distance) C4'-P energy: -134.289 bonds (distance) P-C4' energy: -139.326 flat angles C4'-P-C4' energy: -150.953 flat angles P-C4'-P energy: -104.304 tors. eta vs tors. theta energy: -233.059 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: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2545.842199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.842199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.842199 (E_RNA) where: Base-Base interactions energy: -1818.597 where: short stacking energy: -758.720 Base-Backbone interact. energy: -0.444 local terms energy: -726.800386 where: bonds (distance) C4'-P energy: -135.733 bonds (distance) P-C4' energy: -112.964 flat angles C4'-P-C4' energy: -154.499 flat angles P-C4'-P energy: -94.627 tors. eta vs tors. theta energy: -228.977 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: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2263.282308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.282308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.282308 (E_RNA) where: Base-Base interactions energy: -1588.996 where: short stacking energy: -689.115 Base-Backbone interact. energy: -1.324 local terms energy: -672.962236 where: bonds (distance) C4'-P energy: -113.201 bonds (distance) P-C4' energy: -116.536 flat angles C4'-P-C4' energy: -137.125 flat angles P-C4'-P energy: -96.994 tors. eta vs tors. theta energy: -209.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2255.158961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.158961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.158961 (E_RNA) where: Base-Base interactions energy: -1570.854 where: short stacking energy: -681.962 Base-Backbone interact. energy: -1.043 local terms energy: -683.262280 where: bonds (distance) C4'-P energy: -110.309 bonds (distance) P-C4' energy: -124.255 flat angles C4'-P-C4' energy: -137.010 flat angles P-C4'-P energy: -112.702 tors. eta vs tors. theta energy: -198.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2145.977376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.977376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.977376 (E_RNA) where: Base-Base interactions energy: -1525.881 where: short stacking energy: -638.102 Base-Backbone interact. energy: 3.805 local terms energy: -623.900741 where: bonds (distance) C4'-P energy: -108.855 bonds (distance) P-C4' energy: -110.472 flat angles C4'-P-C4' energy: -142.617 flat angles P-C4'-P energy: -71.454 tors. eta vs tors. theta energy: -190.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1889.968746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.968746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.968746 (E_RNA) where: Base-Base interactions energy: -1299.396 where: short stacking energy: -540.388 Base-Backbone interact. energy: -1.534 local terms energy: -589.039416 where: bonds (distance) C4'-P energy: -113.250 bonds (distance) P-C4' energy: -99.226 flat angles C4'-P-C4' energy: -132.487 flat angles P-C4'-P energy: -86.283 tors. eta vs tors. theta energy: -157.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1651.937883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.937883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.937883 (E_RNA) where: Base-Base interactions energy: -1127.166 where: short stacking energy: -503.612 Base-Backbone interact. energy: 4.489 local terms energy: -529.260904 where: bonds (distance) C4'-P energy: -117.552 bonds (distance) P-C4' energy: -96.443 flat angles C4'-P-C4' energy: -129.357 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: -111.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1431.829602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.829602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.829602 (E_RNA) where: Base-Base interactions energy: -960.531 where: short stacking energy: -410.022 Base-Backbone interact. energy: 0.286 local terms energy: -471.584793 where: bonds (distance) C4'-P energy: -100.817 bonds (distance) P-C4' energy: -103.454 flat angles C4'-P-C4' energy: -104.916 flat angles P-C4'-P energy: -74.747 tors. eta vs tors. theta energy: -87.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -658.235230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.235230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.235230 (E_RNA) where: Base-Base interactions energy: -291.480 where: short stacking energy: -181.417 Base-Backbone interact. energy: -0.497 local terms energy: -366.258226 where: bonds (distance) C4'-P energy: -99.345 bonds (distance) P-C4' energy: -115.008 flat angles C4'-P-C4' energy: -92.026 flat angles P-C4'-P energy: -53.009 tors. eta vs tors. theta energy: -6.871 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: 170 Temperature: 0.900000 Total energy: -2661.963604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.963604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.963604 (E_RNA) where: Base-Base interactions energy: -1893.984 where: short stacking energy: -777.017 Base-Backbone interact. energy: -2.552 local terms energy: -765.426724 where: bonds (distance) C4'-P energy: -117.033 bonds (distance) P-C4' energy: -145.127 flat angles C4'-P-C4' energy: -158.547 flat angles P-C4'-P energy: -110.514 tors. eta vs tors. theta energy: -234.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2625.336147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.336147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.336147 (E_RNA) where: Base-Base interactions energy: -1886.346 where: short stacking energy: -772.366 Base-Backbone interact. energy: -0.492 local terms energy: -738.498386 where: bonds (distance) C4'-P energy: -115.464 bonds (distance) P-C4' energy: -119.181 flat angles C4'-P-C4' energy: -157.432 flat angles P-C4'-P energy: -107.067 tors. eta vs tors. theta energy: -239.355 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: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2514.050734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.050734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.050734 (E_RNA) where: Base-Base interactions energy: -1774.240 where: short stacking energy: -736.227 Base-Backbone interact. energy: -0.246 local terms energy: -739.564725 where: bonds (distance) C4'-P energy: -119.742 bonds (distance) P-C4' energy: -142.999 flat angles C4'-P-C4' energy: -149.479 flat angles P-C4'-P energy: -99.892 tors. eta vs tors. theta energy: -227.452 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: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2286.439141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.439141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.439141 (E_RNA) where: Base-Base interactions energy: -1603.426 where: short stacking energy: -669.200 Base-Backbone interact. energy: -4.733 local terms energy: -678.280867 where: bonds (distance) C4'-P energy: -123.888 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -141.428 flat angles P-C4'-P energy: -87.352 tors. eta vs tors. theta energy: -202.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2270.964162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.964162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.964162 (E_RNA) where: Base-Base interactions energy: -1606.075 where: short stacking energy: -679.076 Base-Backbone interact. energy: -1.575 local terms energy: -663.313947 where: bonds (distance) C4'-P energy: -115.663 bonds (distance) P-C4' energy: -118.303 flat angles C4'-P-C4' energy: -122.960 flat angles P-C4'-P energy: -97.778 tors. eta vs tors. theta energy: -208.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2138.010341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.010341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.010341 (E_RNA) where: Base-Base interactions energy: -1516.368 where: short stacking energy: -630.452 Base-Backbone interact. energy: -1.437 local terms energy: -620.204868 where: bonds (distance) C4'-P energy: -115.587 bonds (distance) P-C4' energy: -106.026 flat angles C4'-P-C4' energy: -142.556 flat angles P-C4'-P energy: -78.190 tors. eta vs tors. theta energy: -177.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1817.190448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.190448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.190448 (E_RNA) where: Base-Base interactions energy: -1241.703 where: short stacking energy: -550.245 Base-Backbone interact. energy: -1.215 local terms energy: -574.272835 where: bonds (distance) C4'-P energy: -95.454 bonds (distance) P-C4' energy: -124.362 flat angles C4'-P-C4' energy: -125.840 flat angles P-C4'-P energy: -80.293 tors. eta vs tors. theta energy: -148.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1635.238193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.238193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.238193 (E_RNA) where: Base-Base interactions energy: -1134.962 where: short stacking energy: -495.612 Base-Backbone interact. energy: 1.293 local terms energy: -501.569525 where: bonds (distance) C4'-P energy: -90.397 bonds (distance) P-C4' energy: -95.159 flat angles C4'-P-C4' energy: -111.159 flat angles P-C4'-P energy: -87.688 tors. eta vs tors. theta energy: -117.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1459.714234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.714234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.714234 (E_RNA) where: Base-Base interactions energy: -991.640 where: short stacking energy: -416.143 Base-Backbone interact. energy: -0.588 local terms energy: -467.485602 where: bonds (distance) C4'-P energy: -90.529 bonds (distance) P-C4' energy: -120.871 flat angles C4'-P-C4' energy: -113.720 flat angles P-C4'-P energy: -55.935 tors. eta vs tors. theta energy: -86.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -631.495434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.495434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.495434 (E_RNA) where: Base-Base interactions energy: -293.730 where: short stacking energy: -176.743 Base-Backbone interact. energy: -1.272 local terms energy: -336.493606 where: bonds (distance) C4'-P energy: -113.560 bonds (distance) P-C4' energy: -102.990 flat angles C4'-P-C4' energy: -92.921 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: 18.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2676.743075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.743075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.743075 (E_RNA) where: Base-Base interactions energy: -1892.901 where: short stacking energy: -780.719 Base-Backbone interact. energy: -1.008 local terms energy: -782.833854 where: bonds (distance) C4'-P energy: -137.970 bonds (distance) P-C4' energy: -138.583 flat angles C4'-P-C4' energy: -157.835 flat angles P-C4'-P energy: -108.146 tors. eta vs tors. theta energy: -240.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2610.901521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.901521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.901521 (E_RNA) where: Base-Base interactions energy: -1856.734 where: short stacking energy: -756.677 Base-Backbone interact. energy: 1.526 local terms energy: -755.693545 where: bonds (distance) C4'-P energy: -132.412 bonds (distance) P-C4' energy: -125.940 flat angles C4'-P-C4' energy: -150.782 flat angles P-C4'-P energy: -112.444 tors. eta vs tors. theta energy: -234.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2547.052968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.052968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.052968 (E_RNA) where: Base-Base interactions energy: -1842.756 where: short stacking energy: -743.715 Base-Backbone interact. energy: 0.842 local terms energy: -705.138537 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -113.699 flat angles C4'-P-C4' energy: -152.102 flat angles P-C4'-P energy: -95.211 tors. eta vs tors. theta energy: -224.965 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: 171 Temperature: 1.050000 Total energy: -2295.395074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.395074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.395074 (E_RNA) where: Base-Base interactions energy: -1608.098 where: short stacking energy: -665.713 Base-Backbone interact. energy: 6.233 local terms energy: -693.530997 where: bonds (distance) C4'-P energy: -120.928 bonds (distance) P-C4' energy: -116.929 flat angles C4'-P-C4' energy: -147.872 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -203.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2250.224977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.224977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.224977 (E_RNA) where: Base-Base interactions energy: -1549.850 where: short stacking energy: -678.561 Base-Backbone interact. energy: -1.995 local terms energy: -698.379198 where: bonds (distance) C4'-P energy: -118.515 bonds (distance) P-C4' energy: -131.167 flat angles C4'-P-C4' energy: -143.914 flat angles P-C4'-P energy: -99.788 tors. eta vs tors. theta energy: -204.996 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: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2145.069531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.069531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.069531 (E_RNA) where: Base-Base interactions energy: -1519.516 where: short stacking energy: -623.368 Base-Backbone interact. energy: -3.658 local terms energy: -621.896006 where: bonds (distance) C4'-P energy: -110.916 bonds (distance) P-C4' energy: -116.967 flat angles C4'-P-C4' energy: -135.695 flat angles P-C4'-P energy: -80.869 tors. eta vs tors. theta energy: -177.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1837.709949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.709949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.709949 (E_RNA) where: Base-Base interactions energy: -1246.512 where: short stacking energy: -555.632 Base-Backbone interact. energy: -2.859 local terms energy: -588.339465 where: bonds (distance) C4'-P energy: -98.365 bonds (distance) P-C4' energy: -121.524 flat angles C4'-P-C4' energy: -127.568 flat angles P-C4'-P energy: -83.266 tors. eta vs tors. theta energy: -157.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1576.732795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.732795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.732795 (E_RNA) where: Base-Base interactions energy: -1082.158 where: short stacking energy: -453.180 Base-Backbone interact. energy: 0.794 local terms energy: -495.368587 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -115.211 flat angles C4'-P-C4' energy: -117.386 flat angles P-C4'-P energy: -67.166 tors. eta vs tors. theta energy: -102.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1457.608624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.608624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.608624 (E_RNA) where: Base-Base interactions energy: -990.488 where: short stacking energy: -412.476 Base-Backbone interact. energy: -3.996 local terms energy: -463.125072 where: bonds (distance) C4'-P energy: -95.406 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -100.172 flat angles P-C4'-P energy: -53.200 tors. eta vs tors. theta energy: -94.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -714.956805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.956805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.956805 (E_RNA) where: Base-Base interactions energy: -328.327 where: short stacking energy: -208.758 Base-Backbone interact. energy: -1.325 local terms energy: -385.304831 where: bonds (distance) C4'-P energy: -103.251 bonds (distance) P-C4' energy: -122.323 flat angles C4'-P-C4' energy: -88.454 flat angles P-C4'-P energy: -59.091 tors. eta vs tors. theta energy: -12.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2664.451839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.451839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.451839 (E_RNA) where: Base-Base interactions energy: -1895.329 where: short stacking energy: -785.623 Base-Backbone interact. energy: -1.241 local terms energy: -767.881995 where: bonds (distance) C4'-P energy: -127.296 bonds (distance) P-C4' energy: -146.354 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -99.928 tors. eta vs tors. theta energy: -240.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2641.242935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.242935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.242935 (E_RNA) where: Base-Base interactions energy: -1874.099 where: short stacking energy: -763.783 Base-Backbone interact. energy: -2.439 local terms energy: -764.704633 where: bonds (distance) C4'-P energy: -121.153 bonds (distance) P-C4' energy: -136.364 flat angles C4'-P-C4' energy: -157.857 flat angles P-C4'-P energy: -119.021 tors. eta vs tors. theta energy: -230.310 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: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2555.420498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.420498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.420498 (E_RNA) where: Base-Base interactions energy: -1843.093 where: short stacking energy: -754.898 Base-Backbone interact. energy: -0.640 local terms energy: -711.687413 where: bonds (distance) C4'-P energy: -109.214 bonds (distance) P-C4' energy: -135.621 flat angles C4'-P-C4' energy: -155.025 flat angles P-C4'-P energy: -84.336 tors. eta vs tors. theta energy: -227.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2368.679976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.679976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.679976 (E_RNA) where: Base-Base interactions energy: -1632.565 where: short stacking energy: -690.282 Base-Backbone interact. energy: -1.861 local terms energy: -734.253804 where: bonds (distance) C4'-P energy: -121.636 bonds (distance) P-C4' energy: -130.075 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -108.202 tors. eta vs tors. theta energy: -217.269 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: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2231.413025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.413025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.413025 (E_RNA) where: Base-Base interactions energy: -1543.203 where: short stacking energy: -661.711 Base-Backbone interact. energy: -4.425 local terms energy: -683.785248 where: bonds (distance) C4'-P energy: -123.661 bonds (distance) P-C4' energy: -122.923 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -90.365 tors. eta vs tors. theta energy: -202.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2153.442162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.442162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.442162 (E_RNA) where: Base-Base interactions energy: -1506.978 where: short stacking energy: -610.068 Base-Backbone interact. energy: -1.872 local terms energy: -644.591943 where: bonds (distance) C4'-P energy: -110.102 bonds (distance) P-C4' energy: -124.980 flat angles C4'-P-C4' energy: -145.127 flat angles P-C4'-P energy: -95.278 tors. eta vs tors. theta energy: -169.105 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: 172 Temperature: 1.200000 Total energy: -1871.936195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.936195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.936195 (E_RNA) where: Base-Base interactions energy: -1300.795 where: short stacking energy: -567.414 Base-Backbone interact. energy: -3.020 local terms energy: -568.121173 where: bonds (distance) C4'-P energy: -108.233 bonds (distance) P-C4' energy: -118.387 flat angles C4'-P-C4' energy: -107.337 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -168.727 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: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1603.446863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.446863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.446863 (E_RNA) where: Base-Base interactions energy: -1094.022 where: short stacking energy: -487.972 Base-Backbone interact. energy: 1.241 local terms energy: -510.665197 where: bonds (distance) C4'-P energy: -93.245 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -122.129 flat angles P-C4'-P energy: -83.893 tors. eta vs tors. theta energy: -114.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1363.858458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.858458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.858458 (E_RNA) where: Base-Base interactions energy: -921.820 where: short stacking energy: -408.324 Base-Backbone interact. energy: -0.533 local terms energy: -441.504980 where: bonds (distance) C4'-P energy: -89.948 bonds (distance) P-C4' energy: -107.644 flat angles C4'-P-C4' energy: -113.893 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -66.266 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: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -673.049416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.049416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.049416 (E_RNA) where: Base-Base interactions energy: -317.332 where: short stacking energy: -183.051 Base-Backbone interact. energy: 8.611 local terms energy: -364.328427 where: bonds (distance) C4'-P energy: -110.272 bonds (distance) P-C4' energy: -113.315 flat angles C4'-P-C4' energy: -108.645 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: 15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2661.176798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.176798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.176798 (E_RNA) where: Base-Base interactions energy: -1872.878 where: short stacking energy: -775.534 Base-Backbone interact. energy: -1.387 local terms energy: -786.912204 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -166.032 flat angles P-C4'-P energy: -108.079 tors. eta vs tors. theta energy: -240.619 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: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2628.033385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.033385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.033385 (E_RNA) where: Base-Base interactions energy: -1874.485 where: short stacking energy: -762.430 Base-Backbone interact. energy: -2.509 local terms energy: -751.038974 where: bonds (distance) C4'-P energy: -132.067 bonds (distance) P-C4' energy: -115.532 flat angles C4'-P-C4' energy: -159.572 flat angles P-C4'-P energy: -109.177 tors. eta vs tors. theta energy: -234.690 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: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2504.457052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.457052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.457052 (E_RNA) where: Base-Base interactions energy: -1777.943 where: short stacking energy: -735.698 Base-Backbone interact. energy: 0.166 local terms energy: -726.680775 where: bonds (distance) C4'-P energy: -111.067 bonds (distance) P-C4' energy: -139.004 flat angles C4'-P-C4' energy: -143.659 flat angles P-C4'-P energy: -110.599 tors. eta vs tors. theta energy: -222.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2362.667857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.667857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.667857 (E_RNA) where: Base-Base interactions energy: -1660.128 where: short stacking energy: -696.583 Base-Backbone interact. energy: -1.992 local terms energy: -700.548144 where: bonds (distance) C4'-P energy: -125.465 bonds (distance) P-C4' energy: -116.937 flat angles C4'-P-C4' energy: -148.999 flat angles P-C4'-P energy: -99.341 tors. eta vs tors. theta energy: -209.806 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: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2239.279140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.279140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.279140 (E_RNA) where: Base-Base interactions energy: -1567.429 where: short stacking energy: -697.822 Base-Backbone interact. energy: -1.683 local terms energy: -670.167547 where: bonds (distance) C4'-P energy: -114.588 bonds (distance) P-C4' energy: -113.978 flat angles C4'-P-C4' energy: -137.820 flat angles P-C4'-P energy: -105.299 tors. eta vs tors. theta energy: -198.483 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: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2132.471228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.471228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.471228 (E_RNA) where: Base-Base interactions energy: -1495.029 where: short stacking energy: -630.072 Base-Backbone interact. energy: -1.206 local terms energy: -636.236526 where: bonds (distance) C4'-P energy: -115.369 bonds (distance) P-C4' energy: -105.265 flat angles C4'-P-C4' energy: -142.934 flat angles P-C4'-P energy: -87.833 tors. eta vs tors. theta energy: -184.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1913.474951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.474951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.474951 (E_RNA) where: Base-Base interactions energy: -1309.423 where: short stacking energy: -551.945 Base-Backbone interact. energy: -1.752 local terms energy: -602.300255 where: bonds (distance) C4'-P energy: -113.994 bonds (distance) P-C4' energy: -112.783 flat angles C4'-P-C4' energy: -130.190 flat angles P-C4'-P energy: -82.311 tors. eta vs tors. theta energy: -163.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1675.109984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.109984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.109984 (E_RNA) where: Base-Base interactions energy: -1168.750 where: short stacking energy: -498.942 Base-Backbone interact. energy: -2.955 local terms energy: -503.405142 where: bonds (distance) C4'-P energy: -98.371 bonds (distance) P-C4' energy: -94.037 flat angles C4'-P-C4' energy: -131.771 flat angles P-C4'-P energy: -66.078 tors. eta vs tors. theta energy: -113.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1432.734662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.734662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.734662 (E_RNA) where: Base-Base interactions energy: -930.026 where: short stacking energy: -402.950 Base-Backbone interact. energy: -1.780 local terms energy: -500.928563 where: bonds (distance) C4'-P energy: -114.087 bonds (distance) P-C4' energy: -127.124 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -68.267 tors. eta vs tors. theta energy: -91.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -690.596074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.596074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.596074 (E_RNA) where: Base-Base interactions energy: -342.368 where: short stacking energy: -204.696 Base-Backbone interact. energy: -2.523 local terms energy: -345.705186 where: bonds (distance) C4'-P energy: -104.594 bonds (distance) P-C4' energy: -112.064 flat angles C4'-P-C4' energy: -92.993 flat angles P-C4'-P energy: -36.409 tors. eta vs tors. theta energy: 0.356 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: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2661.825151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.825151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.825151 (E_RNA) where: Base-Base interactions energy: -1871.346 where: short stacking energy: -776.659 Base-Backbone interact. energy: -2.900 local terms energy: -787.579613 where: bonds (distance) C4'-P energy: -136.662 bonds (distance) P-C4' energy: -131.964 flat angles C4'-P-C4' energy: -161.217 flat angles P-C4'-P energy: -118.841 tors. eta vs tors. theta energy: -238.896 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: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2607.682599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.682599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.682599 (E_RNA) where: Base-Base interactions energy: -1861.820 where: short stacking energy: -768.064 Base-Backbone interact. energy: -1.686 local terms energy: -744.175840 where: bonds (distance) C4'-P energy: -115.417 bonds (distance) P-C4' energy: -127.072 flat angles C4'-P-C4' energy: -156.493 flat angles P-C4'-P energy: -109.053 tors. eta vs tors. theta energy: -236.141 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: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2507.963914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.963914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.963914 (E_RNA) where: Base-Base interactions energy: -1790.024 where: short stacking energy: -729.339 Base-Backbone interact. energy: -2.202 local terms energy: -715.738617 where: bonds (distance) C4'-P energy: -132.830 bonds (distance) P-C4' energy: -125.277 flat angles C4'-P-C4' energy: -138.825 flat angles P-C4'-P energy: -94.453 tors. eta vs tors. theta energy: -224.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2344.898525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.898525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.898525 (E_RNA) where: Base-Base interactions energy: -1644.460 where: short stacking energy: -696.583 Base-Backbone interact. energy: -1.106 local terms energy: -699.333113 where: bonds (distance) C4'-P energy: -120.763 bonds (distance) P-C4' energy: -106.291 flat angles C4'-P-C4' energy: -158.072 flat angles P-C4'-P energy: -107.742 tors. eta vs tors. theta energy: -206.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2224.124569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.124569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.124569 (E_RNA) where: Base-Base interactions energy: -1565.078 where: short stacking energy: -665.867 Base-Backbone interact. energy: -2.916 local terms energy: -656.130587 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -109.764 flat angles C4'-P-C4' energy: -130.483 flat angles P-C4'-P energy: -89.336 tors. eta vs tors. theta energy: -197.854 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: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2129.493504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.493504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.493504 (E_RNA) where: Base-Base interactions energy: -1492.521 where: short stacking energy: -602.483 Base-Backbone interact. energy: 2.201 local terms energy: -639.173912 where: bonds (distance) C4'-P energy: -126.703 bonds (distance) P-C4' energy: -112.387 flat angles C4'-P-C4' energy: -130.803 flat angles P-C4'-P energy: -86.990 tors. eta vs tors. theta energy: -182.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1961.520832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.520832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.520832 (E_RNA) where: Base-Base interactions energy: -1389.314 where: short stacking energy: -593.571 Base-Backbone interact. energy: -0.446 local terms energy: -571.760576 where: bonds (distance) C4'-P energy: -86.171 bonds (distance) P-C4' energy: -103.523 flat angles C4'-P-C4' energy: -128.004 flat angles P-C4'-P energy: -82.966 tors. eta vs tors. theta energy: -171.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1610.657091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.657091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.657091 (E_RNA) where: Base-Base interactions energy: -1090.958 where: short stacking energy: -456.249 Base-Backbone interact. energy: -1.474 local terms energy: -518.225412 where: bonds (distance) C4'-P energy: -107.319 bonds (distance) P-C4' energy: -113.628 flat angles C4'-P-C4' energy: -112.078 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -109.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1434.918067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.918067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.918067 (E_RNA) where: Base-Base interactions energy: -974.650 where: short stacking energy: -428.599 Base-Backbone interact. energy: 0.152 local terms energy: -460.420599 where: bonds (distance) C4'-P energy: -91.980 bonds (distance) P-C4' energy: -85.463 flat angles C4'-P-C4' energy: -111.805 flat angles P-C4'-P energy: -81.579 tors. eta vs tors. theta energy: -89.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -728.264822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.264822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.264822 (E_RNA) where: Base-Base interactions energy: -369.917 where: short stacking energy: -183.632 Base-Backbone interact. energy: -4.499 local terms energy: -353.848234 where: bonds (distance) C4'-P energy: -104.573 bonds (distance) P-C4' energy: -109.888 flat angles C4'-P-C4' energy: -82.650 flat angles P-C4'-P energy: -61.284 tors. eta vs tors. theta energy: 4.546 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: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2662.292875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.292875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.292875 (E_RNA) where: Base-Base interactions energy: -1888.157 where: short stacking energy: -794.488 Base-Backbone interact. energy: -1.431 local terms energy: -772.705481 where: bonds (distance) C4'-P energy: -121.569 bonds (distance) P-C4' energy: -129.661 flat angles C4'-P-C4' energy: -164.060 flat angles P-C4'-P energy: -112.967 tors. eta vs tors. theta energy: -244.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2634.209528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.209528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.209528 (E_RNA) where: Base-Base interactions energy: -1859.159 where: short stacking energy: -767.270 Base-Backbone interact. energy: -1.490 local terms energy: -773.560263 where: bonds (distance) C4'-P energy: -132.614 bonds (distance) P-C4' energy: -136.851 flat angles C4'-P-C4' energy: -159.566 flat angles P-C4'-P energy: -107.138 tors. eta vs tors. theta energy: -237.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2516.418450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.418450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.418450 (E_RNA) where: Base-Base interactions energy: -1789.728 where: short stacking energy: -738.006 Base-Backbone interact. energy: -0.307 local terms energy: -726.382584 where: bonds (distance) C4'-P energy: -125.198 bonds (distance) P-C4' energy: -114.376 flat angles C4'-P-C4' energy: -145.291 flat angles P-C4'-P energy: -106.926 tors. eta vs tors. theta energy: -234.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2315.466224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.466224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.466224 (E_RNA) where: Base-Base interactions energy: -1610.200 where: short stacking energy: -650.044 Base-Backbone interact. energy: -3.735 local terms energy: -701.530837 where: bonds (distance) C4'-P energy: -128.771 bonds (distance) P-C4' energy: -137.148 flat angles C4'-P-C4' energy: -131.164 flat angles P-C4'-P energy: -95.090 tors. eta vs tors. theta energy: -209.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2234.160369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.160369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.160369 (E_RNA) where: Base-Base interactions energy: -1577.471 where: short stacking energy: -675.367 Base-Backbone interact. energy: -1.510 local terms energy: -655.179727 where: bonds (distance) C4'-P energy: -111.437 bonds (distance) P-C4' energy: -109.110 flat angles C4'-P-C4' energy: -140.358 flat angles P-C4'-P energy: -97.288 tors. eta vs tors. theta energy: -196.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2148.201991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.201991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.201991 (E_RNA) where: Base-Base interactions energy: -1503.066 where: short stacking energy: -621.627 Base-Backbone interact. energy: -1.960 local terms energy: -643.176236 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -112.478 flat angles C4'-P-C4' energy: -149.627 flat angles P-C4'-P energy: -97.968 tors. eta vs tors. theta energy: -174.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2010.859510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.859510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.859510 (E_RNA) where: Base-Base interactions energy: -1396.078 where: short stacking energy: -594.806 Base-Backbone interact. energy: 1.305 local terms energy: -616.086012 where: bonds (distance) C4'-P energy: -132.003 bonds (distance) P-C4' energy: -106.451 flat angles C4'-P-C4' energy: -146.720 flat angles P-C4'-P energy: -65.092 tors. eta vs tors. theta energy: -165.820 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: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1591.524265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.524265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.524265 (E_RNA) where: Base-Base interactions energy: -1116.476 where: short stacking energy: -463.761 Base-Backbone interact. energy: -1.955 local terms energy: -473.093405 where: bonds (distance) C4'-P energy: -93.224 bonds (distance) P-C4' energy: -103.748 flat angles C4'-P-C4' energy: -122.009 flat angles P-C4'-P energy: -49.088 tors. eta vs tors. theta energy: -105.023 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: 175 Temperature: 1.300000 Total energy: -1376.702472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.702472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.702472 (E_RNA) where: Base-Base interactions energy: -947.633 where: short stacking energy: -405.866 Base-Backbone interact. energy: -1.465 local terms energy: -427.603568 where: bonds (distance) C4'-P energy: -95.361 bonds (distance) P-C4' energy: -102.282 flat angles C4'-P-C4' energy: -88.434 flat angles P-C4'-P energy: -54.138 tors. eta vs tors. theta energy: -87.388 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: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -670.634705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.634705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.634705 (E_RNA) where: Base-Base interactions energy: -323.430 where: short stacking energy: -208.588 Base-Backbone interact. energy: 0.806 local terms energy: -348.011285 where: bonds (distance) C4'-P energy: -95.097 bonds (distance) P-C4' energy: -94.976 flat angles C4'-P-C4' energy: -102.254 flat angles P-C4'-P energy: -60.704 tors. eta vs tors. theta energy: 5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2698.744789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.744789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.744789 (E_RNA) where: Base-Base interactions energy: -1932.883 where: short stacking energy: -794.643 Base-Backbone interact. energy: -1.470 local terms energy: -764.391684 where: bonds (distance) C4'-P energy: -132.166 bonds (distance) P-C4' energy: -130.724 flat angles C4'-P-C4' energy: -152.482 flat angles P-C4'-P energy: -110.586 tors. eta vs tors. theta energy: -238.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2603.198667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.198667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.198667 (E_RNA) where: Base-Base interactions energy: -1831.654 where: short stacking energy: -751.046 Base-Backbone interact. energy: -0.872 local terms energy: -770.672839 where: bonds (distance) C4'-P energy: -126.383 bonds (distance) P-C4' energy: -130.486 flat angles C4'-P-C4' energy: -155.691 flat angles P-C4'-P energy: -112.210 tors. eta vs tors. theta energy: -245.904 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: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2508.614054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.614054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.614054 (E_RNA) where: Base-Base interactions energy: -1772.098 where: short stacking energy: -719.120 Base-Backbone interact. energy: -1.500 local terms energy: -735.016188 where: bonds (distance) C4'-P energy: -119.571 bonds (distance) P-C4' energy: -121.582 flat angles C4'-P-C4' energy: -149.936 flat angles P-C4'-P energy: -118.933 tors. eta vs tors. theta energy: -224.995 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: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2331.772182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.772182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.772182 (E_RNA) where: Base-Base interactions energy: -1665.925 where: short stacking energy: -691.237 Base-Backbone interact. energy: 2.613 local terms energy: -668.460253 where: bonds (distance) C4'-P energy: -111.071 bonds (distance) P-C4' energy: -117.248 flat angles C4'-P-C4' energy: -140.956 flat angles P-C4'-P energy: -89.142 tors. eta vs tors. theta energy: -210.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2230.474321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.474321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.474321 (E_RNA) where: Base-Base interactions energy: -1587.181 where: short stacking energy: -662.350 Base-Backbone interact. energy: -1.998 local terms energy: -641.295266 where: bonds (distance) C4'-P energy: -113.937 bonds (distance) P-C4' energy: -110.199 flat angles C4'-P-C4' energy: -141.404 flat angles P-C4'-P energy: -94.519 tors. eta vs tors. theta energy: -181.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2137.744359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.744359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.744359 (E_RNA) where: Base-Base interactions energy: -1486.605 where: short stacking energy: -605.628 Base-Backbone interact. energy: 0.589 local terms energy: -651.728396 where: bonds (distance) C4'-P energy: -111.228 bonds (distance) P-C4' energy: -123.571 flat angles C4'-P-C4' energy: -143.877 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -178.948 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: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2021.399922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.399922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.399922 (E_RNA) where: Base-Base interactions energy: -1402.119 where: short stacking energy: -606.879 Base-Backbone interact. energy: -2.904 local terms energy: -616.377079 where: bonds (distance) C4'-P energy: -95.117 bonds (distance) P-C4' energy: -109.344 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -87.158 tors. eta vs tors. theta energy: -180.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1602.378247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.378247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.378247 (E_RNA) where: Base-Base interactions energy: -1082.732 where: short stacking energy: -453.300 Base-Backbone interact. energy: -1.240 local terms energy: -518.405921 where: bonds (distance) C4'-P energy: -106.612 bonds (distance) P-C4' energy: -115.822 flat angles C4'-P-C4' energy: -135.337 flat angles P-C4'-P energy: -54.611 tors. eta vs tors. theta energy: -106.024 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: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1379.036045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.036045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.036045 (E_RNA) where: Base-Base interactions energy: -914.352 where: short stacking energy: -414.463 Base-Backbone interact. energy: -0.952 local terms energy: -463.731872 where: bonds (distance) C4'-P energy: -108.793 bonds (distance) P-C4' energy: -116.722 flat angles C4'-P-C4' energy: -103.484 flat angles P-C4'-P energy: -61.581 tors. eta vs tors. theta energy: -73.152 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: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -630.522366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.522366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.522366 (E_RNA) where: Base-Base interactions energy: -264.460 where: short stacking energy: -167.539 Base-Backbone interact. energy: 3.780 local terms energy: -369.842526 where: bonds (distance) C4'-P energy: -99.649 bonds (distance) P-C4' energy: -105.712 flat angles C4'-P-C4' energy: -102.472 flat angles P-C4'-P energy: -53.751 tors. eta vs tors. theta energy: -8.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2691.188811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.188811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.188811 (E_RNA) where: Base-Base interactions energy: -1916.167 where: short stacking energy: -788.422 Base-Backbone interact. energy: 0.357 local terms energy: -775.379327 where: bonds (distance) C4'-P energy: -127.713 bonds (distance) P-C4' energy: -135.375 flat angles C4'-P-C4' energy: -166.250 flat angles P-C4'-P energy: -105.199 tors. eta vs tors. theta energy: -240.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2606.458410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.458410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.458410 (E_RNA) where: Base-Base interactions energy: -1842.592 where: short stacking energy: -757.020 Base-Backbone interact. energy: -1.527 local terms energy: -762.339283 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -127.838 flat angles C4'-P-C4' energy: -157.454 flat angles P-C4'-P energy: -113.254 tors. eta vs tors. theta energy: -234.953 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: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2515.068312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.068312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.068312 (E_RNA) where: Base-Base interactions energy: -1799.876 where: short stacking energy: -750.593 Base-Backbone interact. energy: -0.302 local terms energy: -714.890924 where: bonds (distance) C4'-P energy: -128.217 bonds (distance) P-C4' energy: -114.904 flat angles C4'-P-C4' energy: -146.724 flat angles P-C4'-P energy: -90.748 tors. eta vs tors. theta energy: -234.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2332.965170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.965170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.965170 (E_RNA) where: Base-Base interactions energy: -1641.120 where: short stacking energy: -683.250 Base-Backbone interact. energy: -2.491 local terms energy: -689.353806 where: bonds (distance) C4'-P energy: -127.190 bonds (distance) P-C4' energy: -119.661 flat angles C4'-P-C4' energy: -144.707 flat angles P-C4'-P energy: -91.276 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: 177 Temperature: 1.100000 Total energy: -2201.769543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.769543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.769543 (E_RNA) where: Base-Base interactions energy: -1542.101 where: short stacking energy: -641.091 Base-Backbone interact. energy: -0.626 local terms energy: -659.041709 where: bonds (distance) C4'-P energy: -118.276 bonds (distance) P-C4' energy: -124.995 flat angles C4'-P-C4' energy: -138.074 flat angles P-C4'-P energy: -94.049 tors. eta vs tors. theta energy: -183.647 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: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2190.869554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.869554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.869554 (E_RNA) where: Base-Base interactions energy: -1546.883 where: short stacking energy: -633.939 Base-Backbone interact. energy: -2.417 local terms energy: -641.568979 where: bonds (distance) C4'-P energy: -110.178 bonds (distance) P-C4' energy: -120.360 flat angles C4'-P-C4' energy: -134.328 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -194.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1998.082714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.082714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.082714 (E_RNA) where: Base-Base interactions energy: -1398.852 where: short stacking energy: -603.216 Base-Backbone interact. energy: -1.682 local terms energy: -597.549327 where: bonds (distance) C4'-P energy: -117.693 bonds (distance) P-C4' energy: -115.882 flat angles C4'-P-C4' energy: -128.356 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -169.580 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: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1644.850517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.850517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.850517 (E_RNA) where: Base-Base interactions energy: -1106.246 where: short stacking energy: -497.262 Base-Backbone interact. energy: -1.205 local terms energy: -537.399789 where: bonds (distance) C4'-P energy: -100.077 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -62.973 tors. eta vs tors. theta energy: -127.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1409.949285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.949285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.949285 (E_RNA) where: Base-Base interactions energy: -930.049 where: short stacking energy: -403.067 Base-Backbone interact. energy: -1.193 local terms energy: -478.707660 where: bonds (distance) C4'-P energy: -94.783 bonds (distance) P-C4' energy: -134.102 flat angles C4'-P-C4' energy: -113.377 flat angles P-C4'-P energy: -66.404 tors. eta vs tors. theta energy: -70.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -657.027099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.027099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.027099 (E_RNA) where: Base-Base interactions energy: -321.243 where: short stacking energy: -194.659 Base-Backbone interact. energy: 3.457 local terms energy: -339.240695 where: bonds (distance) C4'-P energy: -73.484 bonds (distance) P-C4' energy: -121.873 flat angles C4'-P-C4' energy: -93.211 flat angles P-C4'-P energy: -55.021 tors. eta vs tors. theta energy: 4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2671.717652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.717652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.717652 (E_RNA) where: Base-Base interactions energy: -1930.541 where: short stacking energy: -791.818 Base-Backbone interact. energy: -1.420 local terms energy: -739.757152 where: bonds (distance) C4'-P energy: -117.328 bonds (distance) P-C4' energy: -117.332 flat angles C4'-P-C4' energy: -161.287 flat angles P-C4'-P energy: -103.365 tors. eta vs tors. theta energy: -240.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2644.633985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.633985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.633985 (E_RNA) where: Base-Base interactions energy: -1892.076 where: short stacking energy: -794.376 Base-Backbone interact. energy: 0.276 local terms energy: -752.833957 where: bonds (distance) C4'-P energy: -130.784 bonds (distance) P-C4' energy: -111.126 flat angles C4'-P-C4' energy: -168.572 flat angles P-C4'-P energy: -99.866 tors. eta vs tors. theta energy: -242.487 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: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2516.969600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.969600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.969600 (E_RNA) where: Base-Base interactions energy: -1784.465 where: short stacking energy: -738.831 Base-Backbone interact. energy: -1.386 local terms energy: -731.118428 where: bonds (distance) C4'-P energy: -138.634 bonds (distance) P-C4' energy: -123.742 flat angles C4'-P-C4' energy: -152.275 flat angles P-C4'-P energy: -91.329 tors. eta vs tors. theta energy: -225.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2319.559004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.559004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.559004 (E_RNA) where: Base-Base interactions energy: -1626.895 where: short stacking energy: -684.971 Base-Backbone interact. energy: -3.446 local terms energy: -689.218486 where: bonds (distance) C4'-P energy: -122.333 bonds (distance) P-C4' energy: -115.599 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -93.071 tors. eta vs tors. theta energy: -215.736 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: 178 Temperature: 1.100000 Total energy: -2221.083277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.083277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.083277 (E_RNA) where: Base-Base interactions energy: -1546.439 where: short stacking energy: -653.536 Base-Backbone interact. energy: -2.890 local terms energy: -671.754707 where: bonds (distance) C4'-P energy: -128.585 bonds (distance) P-C4' energy: -122.526 flat angles C4'-P-C4' energy: -149.840 flat angles P-C4'-P energy: -83.112 tors. eta vs tors. theta energy: -187.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2137.445865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.445865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.445865 (E_RNA) where: Base-Base interactions energy: -1496.481 where: short stacking energy: -626.458 Base-Backbone interact. energy: -1.312 local terms energy: -639.653378 where: bonds (distance) C4'-P energy: -128.751 bonds (distance) P-C4' energy: -113.031 flat angles C4'-P-C4' energy: -143.175 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -179.248 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: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2039.181510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.181510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.181510 (E_RNA) where: Base-Base interactions energy: -1409.128 where: short stacking energy: -591.022 Base-Backbone interact. energy: -2.039 local terms energy: -628.014128 where: bonds (distance) C4'-P energy: -122.326 bonds (distance) P-C4' energy: -101.152 flat angles C4'-P-C4' energy: -139.299 flat angles P-C4'-P energy: -89.501 tors. eta vs tors. theta energy: -175.736 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: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1523.672829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.672829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.672829 (E_RNA) where: Base-Base interactions energy: -1027.358 where: short stacking energy: -448.202 Base-Backbone interact. energy: -2.321 local terms energy: -493.994353 where: bonds (distance) C4'-P energy: -94.744 bonds (distance) P-C4' energy: -124.650 flat angles C4'-P-C4' energy: -98.817 flat angles P-C4'-P energy: -75.253 tors. eta vs tors. theta energy: -100.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1356.445023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.445023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.445023 (E_RNA) where: Base-Base interactions energy: -882.281 where: short stacking energy: -380.514 Base-Backbone interact. energy: -0.217 local terms energy: -473.947026 where: bonds (distance) C4'-P energy: -130.015 bonds (distance) P-C4' energy: -99.653 flat angles C4'-P-C4' energy: -112.782 flat angles P-C4'-P energy: -67.451 tors. eta vs tors. theta energy: -64.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -678.303705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.303705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.303705 (E_RNA) where: Base-Base interactions energy: -321.459 where: short stacking energy: -228.047 Base-Backbone interact. energy: -0.075 local terms energy: -356.769167 where: bonds (distance) C4'-P energy: -109.168 bonds (distance) P-C4' energy: -117.837 flat angles C4'-P-C4' energy: -85.192 flat angles P-C4'-P energy: -44.252 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2692.301780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.301780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.301780 (E_RNA) where: Base-Base interactions energy: -1895.072 where: short stacking energy: -773.870 Base-Backbone interact. energy: -2.489 local terms energy: -794.740598 where: bonds (distance) C4'-P energy: -135.968 bonds (distance) P-C4' energy: -135.732 flat angles C4'-P-C4' energy: -171.381 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -241.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2612.176920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.176920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.176920 (E_RNA) where: Base-Base interactions energy: -1867.783 where: short stacking energy: -761.721 Base-Backbone interact. energy: -1.059 local terms energy: -743.334750 where: bonds (distance) C4'-P energy: -140.214 bonds (distance) P-C4' energy: -132.049 flat angles C4'-P-C4' energy: -159.196 flat angles P-C4'-P energy: -84.268 tors. eta vs tors. theta energy: -227.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2548.912544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.912544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.912544 (E_RNA) where: Base-Base interactions energy: -1808.188 where: short stacking energy: -752.514 Base-Backbone interact. energy: 1.374 local terms energy: -742.098192 where: bonds (distance) C4'-P energy: -124.929 bonds (distance) P-C4' energy: -122.584 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -99.286 tors. eta vs tors. theta energy: -238.978 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: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2290.363620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.363620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.363620 (E_RNA) where: Base-Base interactions energy: -1598.434 where: short stacking energy: -688.436 Base-Backbone interact. energy: -0.419 local terms energy: -691.510152 where: bonds (distance) C4'-P energy: -125.580 bonds (distance) P-C4' energy: -108.996 flat angles C4'-P-C4' energy: -142.458 flat angles P-C4'-P energy: -100.975 tors. eta vs tors. theta energy: -213.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2185.604493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.604493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.604493 (E_RNA) where: Base-Base interactions energy: -1553.011 where: short stacking energy: -645.204 Base-Backbone interact. energy: 3.009 local terms energy: -635.602942 where: bonds (distance) C4'-P energy: -112.802 bonds (distance) P-C4' energy: -126.900 flat angles C4'-P-C4' energy: -135.709 flat angles P-C4'-P energy: -81.549 tors. eta vs tors. theta energy: -178.642 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: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2188.114984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.114984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.114984 (E_RNA) where: Base-Base interactions energy: -1539.986 where: short stacking energy: -647.468 Base-Backbone interact. energy: 0.102 local terms energy: -648.230749 where: bonds (distance) C4'-P energy: -115.738 bonds (distance) P-C4' energy: -117.676 flat angles C4'-P-C4' energy: -133.034 flat angles P-C4'-P energy: -87.560 tors. eta vs tors. theta energy: -194.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2135.509905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.509905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.509905 (E_RNA) where: Base-Base interactions energy: -1511.295 where: short stacking energy: -621.942 Base-Backbone interact. energy: -1.952 local terms energy: -622.262968 where: bonds (distance) C4'-P energy: -98.877 bonds (distance) P-C4' energy: -110.050 flat angles C4'-P-C4' energy: -129.519 flat angles P-C4'-P energy: -97.370 tors. eta vs tors. theta energy: -186.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1525.523618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.523618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.523618 (E_RNA) where: Base-Base interactions energy: -1017.763 where: short stacking energy: -430.637 Base-Backbone interact. energy: 1.250 local terms energy: -509.010905 where: bonds (distance) C4'-P energy: -97.915 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -124.359 flat angles P-C4'-P energy: -72.361 tors. eta vs tors. theta energy: -93.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1345.631732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.631732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.631732 (E_RNA) where: Base-Base interactions energy: -916.071 where: short stacking energy: -384.812 Base-Backbone interact. energy: -2.002 local terms energy: -427.558853 where: bonds (distance) C4'-P energy: -98.322 bonds (distance) P-C4' energy: -116.095 flat angles C4'-P-C4' energy: -105.889 flat angles P-C4'-P energy: -38.845 tors. eta vs tors. theta energy: -68.409 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: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -700.131997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.131997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.131997 (E_RNA) where: Base-Base interactions energy: -335.060 where: short stacking energy: -196.986 Base-Backbone interact. energy: 8.851 local terms energy: -373.922698 where: bonds (distance) C4'-P energy: -104.316 bonds (distance) P-C4' energy: -114.851 flat angles C4'-P-C4' energy: -96.449 flat angles P-C4'-P energy: -55.650 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2660.033663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.033663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.033663 (E_RNA) where: Base-Base interactions energy: -1887.373 where: short stacking energy: -769.706 Base-Backbone interact. energy: 0.619 local terms energy: -773.279361 where: bonds (distance) C4'-P energy: -141.009 bonds (distance) P-C4' energy: -131.508 flat angles C4'-P-C4' energy: -159.392 flat angles P-C4'-P energy: -101.459 tors. eta vs tors. theta energy: -239.912 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: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2640.047860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.047860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.047860 (E_RNA) where: Base-Base interactions energy: -1860.394 where: short stacking energy: -760.832 Base-Backbone interact. energy: -0.997 local terms energy: -778.656335 where: bonds (distance) C4'-P energy: -134.186 bonds (distance) P-C4' energy: -131.635 flat angles C4'-P-C4' energy: -158.845 flat angles P-C4'-P energy: -111.500 tors. eta vs tors. theta energy: -242.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2544.527166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.527166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.527166 (E_RNA) where: Base-Base interactions energy: -1801.829 where: short stacking energy: -733.835 Base-Backbone interact. energy: -1.773 local terms energy: -740.925746 where: bonds (distance) C4'-P energy: -108.602 bonds (distance) P-C4' energy: -132.661 flat angles C4'-P-C4' energy: -153.115 flat angles P-C4'-P energy: -109.749 tors. eta vs tors. theta energy: -236.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2341.272067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.272067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.272067 (E_RNA) where: Base-Base interactions energy: -1617.101 where: short stacking energy: -705.385 Base-Backbone interact. energy: -0.362 local terms energy: -723.808961 where: bonds (distance) C4'-P energy: -111.758 bonds (distance) P-C4' energy: -123.736 flat angles C4'-P-C4' energy: -154.029 flat angles P-C4'-P energy: -106.105 tors. eta vs tors. theta energy: -228.181 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: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2257.173912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.173912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.173912 (E_RNA) where: Base-Base interactions energy: -1593.530 where: short stacking energy: -678.271 Base-Backbone interact. energy: -2.834 local terms energy: -660.810231 where: bonds (distance) C4'-P energy: -106.272 bonds (distance) P-C4' energy: -122.405 flat angles C4'-P-C4' energy: -130.481 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -204.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2084.742450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.742450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.742450 (E_RNA) where: Base-Base interactions energy: -1462.174 where: short stacking energy: -619.067 Base-Backbone interact. energy: -0.401 local terms energy: -622.167551 where: bonds (distance) C4'-P energy: -98.959 bonds (distance) P-C4' energy: -120.513 flat angles C4'-P-C4' energy: -113.743 flat angles P-C4'-P energy: -96.887 tors. eta vs tors. theta energy: -192.066 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: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2126.374689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.374689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.374689 (E_RNA) where: Base-Base interactions energy: -1504.215 where: short stacking energy: -613.418 Base-Backbone interact. energy: 0.363 local terms energy: -622.522195 where: bonds (distance) C4'-P energy: -104.411 bonds (distance) P-C4' energy: -114.117 flat angles C4'-P-C4' energy: -130.340 flat angles P-C4'-P energy: -86.328 tors. eta vs tors. theta energy: -187.326 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: 180 Temperature: 1.250000 Total energy: -1532.493310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.493310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.493310 (E_RNA) where: Base-Base interactions energy: -1028.400 where: short stacking energy: -446.790 Base-Backbone interact. energy: -1.588 local terms energy: -502.504949 where: bonds (distance) C4'-P energy: -116.765 bonds (distance) P-C4' energy: -99.038 flat angles C4'-P-C4' energy: -118.643 flat angles P-C4'-P energy: -63.843 tors. eta vs tors. theta energy: -104.216 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: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1330.806727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.806727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.806727 (E_RNA) where: Base-Base interactions energy: -884.665 where: short stacking energy: -399.095 Base-Backbone interact. energy: 0.536 local terms energy: -446.677483 where: bonds (distance) C4'-P energy: -93.884 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -114.909 flat angles P-C4'-P energy: -67.781 tors. eta vs tors. theta energy: -71.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -813.055531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.055531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.055531 (E_RNA) where: Base-Base interactions energy: -443.107 where: short stacking energy: -236.176 Base-Backbone interact. energy: -1.380 local terms energy: -368.568433 where: bonds (distance) C4'-P energy: -111.844 bonds (distance) P-C4' energy: -103.405 flat angles C4'-P-C4' energy: -94.490 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -9.212 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: 181 Temperature: 0.900000 Total energy: -2656.968679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.968679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.968679 (E_RNA) where: Base-Base interactions energy: -1880.906 where: short stacking energy: -763.401 Base-Backbone interact. energy: -2.276 local terms energy: -773.785984 where: bonds (distance) C4'-P energy: -133.611 bonds (distance) P-C4' energy: -142.864 flat angles C4'-P-C4' energy: -157.371 flat angles P-C4'-P energy: -106.541 tors. eta vs tors. theta energy: -233.399 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: 181 Temperature: 0.950000 Total energy: -2601.125397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.125397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.125397 (E_RNA) where: Base-Base interactions energy: -1843.693 where: short stacking energy: -749.324 Base-Backbone interact. energy: -2.163 local terms energy: -755.270181 where: bonds (distance) C4'-P energy: -131.711 bonds (distance) P-C4' energy: -126.602 flat angles C4'-P-C4' energy: -147.215 flat angles P-C4'-P energy: -106.856 tors. eta vs tors. theta energy: -242.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2529.086194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.086194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.086194 (E_RNA) where: Base-Base interactions energy: -1795.610 where: short stacking energy: -734.563 Base-Backbone interact. energy: 2.290 local terms energy: -735.766317 where: bonds (distance) C4'-P energy: -126.767 bonds (distance) P-C4' energy: -120.783 flat angles C4'-P-C4' energy: -154.240 flat angles P-C4'-P energy: -99.323 tors. eta vs tors. theta energy: -234.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2332.528532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.528532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.528532 (E_RNA) where: Base-Base interactions energy: -1614.134 where: short stacking energy: -699.617 Base-Backbone interact. energy: -1.452 local terms energy: -716.942132 where: bonds (distance) C4'-P energy: -132.029 bonds (distance) P-C4' energy: -123.175 flat angles C4'-P-C4' energy: -144.627 flat angles P-C4'-P energy: -98.058 tors. eta vs tors. theta energy: -219.054 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: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2256.794276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.794276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.794276 (E_RNA) where: Base-Base interactions energy: -1582.282 where: short stacking energy: -659.412 Base-Backbone interact. energy: -3.049 local terms energy: -671.463759 where: bonds (distance) C4'-P energy: -108.064 bonds (distance) P-C4' energy: -128.591 flat angles C4'-P-C4' energy: -139.314 flat angles P-C4'-P energy: -89.255 tors. eta vs tors. theta energy: -206.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2204.407212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.407212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.407212 (E_RNA) where: Base-Base interactions energy: -1557.781 where: short stacking energy: -660.124 Base-Backbone interact. energy: -2.286 local terms energy: -644.340157 where: bonds (distance) C4'-P energy: -94.071 bonds (distance) P-C4' energy: -117.220 flat angles C4'-P-C4' energy: -132.784 flat angles P-C4'-P energy: -95.455 tors. eta vs tors. theta energy: -204.810 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: 181 Temperature: 1.200000 Total energy: -2032.184261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.184261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.184261 (E_RNA) where: Base-Base interactions energy: -1409.445 where: short stacking energy: -598.036 Base-Backbone interact. energy: -0.742 local terms energy: -621.997479 where: bonds (distance) C4'-P energy: -114.486 bonds (distance) P-C4' energy: -109.319 flat angles C4'-P-C4' energy: -133.376 flat angles P-C4'-P energy: -84.853 tors. eta vs tors. theta energy: -179.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1656.163556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.163556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.163556 (E_RNA) where: Base-Base interactions energy: -1118.651 where: short stacking energy: -485.689 Base-Backbone interact. energy: -2.411 local terms energy: -535.101490 where: bonds (distance) C4'-P energy: -95.394 bonds (distance) P-C4' energy: -119.637 flat angles C4'-P-C4' energy: -127.380 flat angles P-C4'-P energy: -85.233 tors. eta vs tors. theta energy: -107.457 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: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1363.061235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.061235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.061235 (E_RNA) where: Base-Base interactions energy: -901.571 where: short stacking energy: -377.794 Base-Backbone interact. energy: -4.749 local terms energy: -456.740786 where: bonds (distance) C4'-P energy: -107.954 bonds (distance) P-C4' energy: -97.877 flat angles C4'-P-C4' energy: -99.941 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -72.394 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: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -780.431550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.431550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.431550 (E_RNA) where: Base-Base interactions energy: -399.467 where: short stacking energy: -226.318 Base-Backbone interact. energy: -0.186 local terms energy: -380.778321 where: bonds (distance) C4'-P energy: -116.985 bonds (distance) P-C4' energy: -120.085 flat angles C4'-P-C4' energy: -90.205 flat angles P-C4'-P energy: -45.703 tors. eta vs tors. theta energy: -7.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2656.208778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.208778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.208778 (E_RNA) where: Base-Base interactions energy: -1890.587 where: short stacking energy: -784.084 Base-Backbone interact. energy: 1.087 local terms energy: -766.708468 where: bonds (distance) C4'-P energy: -131.040 bonds (distance) P-C4' energy: -135.931 flat angles C4'-P-C4' energy: -157.065 flat angles P-C4'-P energy: -110.981 tors. eta vs tors. theta energy: -231.691 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: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2603.565258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.565258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.565258 (E_RNA) where: Base-Base interactions energy: -1837.354 where: short stacking energy: -759.582 Base-Backbone interact. energy: -1.511 local terms energy: -764.699933 where: bonds (distance) C4'-P energy: -138.078 bonds (distance) P-C4' energy: -125.370 flat angles C4'-P-C4' energy: -156.804 flat angles P-C4'-P energy: -103.470 tors. eta vs tors. theta energy: -240.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2531.019904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.019904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.019904 (E_RNA) where: Base-Base interactions energy: -1780.241 where: short stacking energy: -714.201 Base-Backbone interact. energy: -0.639 local terms energy: -750.140412 where: bonds (distance) C4'-P energy: -136.466 bonds (distance) P-C4' energy: -131.649 flat angles C4'-P-C4' energy: -153.791 flat angles P-C4'-P energy: -101.559 tors. eta vs tors. theta energy: -226.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2322.492236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.492236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.492236 (E_RNA) where: Base-Base interactions energy: -1605.188 where: short stacking energy: -688.450 Base-Backbone interact. energy: -4.082 local terms energy: -713.222538 where: bonds (distance) C4'-P energy: -118.694 bonds (distance) P-C4' energy: -132.705 flat angles C4'-P-C4' energy: -154.308 flat angles P-C4'-P energy: -101.547 tors. eta vs tors. theta energy: -205.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2231.390459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.390459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.390459 (E_RNA) where: Base-Base interactions energy: -1544.462 where: short stacking energy: -668.122 Base-Backbone interact. energy: -1.449 local terms energy: -685.479121 where: bonds (distance) C4'-P energy: -107.071 bonds (distance) P-C4' energy: -126.552 flat angles C4'-P-C4' energy: -148.143 flat angles P-C4'-P energy: -103.222 tors. eta vs tors. theta energy: -200.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2221.826593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.826593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.826593 (E_RNA) where: Base-Base interactions energy: -1569.226 where: short stacking energy: -662.006 Base-Backbone interact. energy: -1.796 local terms energy: -650.804887 where: bonds (distance) C4'-P energy: -106.707 bonds (distance) P-C4' energy: -112.872 flat angles C4'-P-C4' energy: -134.382 flat angles P-C4'-P energy: -84.013 tors. eta vs tors. theta energy: -212.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2051.534959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.534959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.534959 (E_RNA) where: Base-Base interactions energy: -1431.482 where: short stacking energy: -592.957 Base-Backbone interact. energy: -1.344 local terms energy: -618.708885 where: bonds (distance) C4'-P energy: -117.621 bonds (distance) P-C4' energy: -104.900 flat angles C4'-P-C4' energy: -137.103 flat angles P-C4'-P energy: -86.920 tors. eta vs tors. theta energy: -172.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1566.322630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.322630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.322630 (E_RNA) where: Base-Base interactions energy: -1039.026 where: short stacking energy: -446.671 Base-Backbone interact. energy: -2.460 local terms energy: -524.836961 where: bonds (distance) C4'-P energy: -114.570 bonds (distance) P-C4' energy: -118.011 flat angles C4'-P-C4' energy: -117.495 flat angles P-C4'-P energy: -72.165 tors. eta vs tors. theta energy: -102.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1356.733917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.733917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.733917 (E_RNA) where: Base-Base interactions energy: -887.284 where: short stacking energy: -377.904 Base-Backbone interact. energy: -3.143 local terms energy: -466.307177 where: bonds (distance) C4'-P energy: -96.891 bonds (distance) P-C4' energy: -111.359 flat angles C4'-P-C4' energy: -111.897 flat angles P-C4'-P energy: -72.362 tors. eta vs tors. theta energy: -73.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -776.661270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.661270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.661270 (E_RNA) where: Base-Base interactions energy: -408.793 where: short stacking energy: -221.306 Base-Backbone interact. energy: 0.307 local terms energy: -368.175367 where: bonds (distance) C4'-P energy: -100.036 bonds (distance) P-C4' energy: -107.136 flat angles C4'-P-C4' energy: -83.682 flat angles P-C4'-P energy: -67.481 tors. eta vs tors. theta energy: -9.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2655.751005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.751005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.751005 (E_RNA) where: Base-Base interactions energy: -1884.201 where: short stacking energy: -781.514 Base-Backbone interact. energy: -0.409 local terms energy: -771.141301 where: bonds (distance) C4'-P energy: -109.026 bonds (distance) P-C4' energy: -133.545 flat angles C4'-P-C4' energy: -174.344 flat angles P-C4'-P energy: -109.912 tors. eta vs tors. theta energy: -244.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2609.613281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.613281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.613281 (E_RNA) where: Base-Base interactions energy: -1857.151 where: short stacking energy: -756.851 Base-Backbone interact. energy: -1.821 local terms energy: -750.641192 where: bonds (distance) C4'-P energy: -117.256 bonds (distance) P-C4' energy: -123.205 flat angles C4'-P-C4' energy: -160.905 flat angles P-C4'-P energy: -118.666 tors. eta vs tors. theta energy: -230.609 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: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2543.924370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.924370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.924370 (E_RNA) where: Base-Base interactions energy: -1781.934 where: short stacking energy: -741.928 Base-Backbone interact. energy: -1.093 local terms energy: -760.897343 where: bonds (distance) C4'-P energy: -132.476 bonds (distance) P-C4' energy: -129.115 flat angles C4'-P-C4' energy: -154.915 flat angles P-C4'-P energy: -103.548 tors. eta vs tors. theta energy: -240.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2280.805555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.805555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.805555 (E_RNA) where: Base-Base interactions energy: -1601.851 where: short stacking energy: -691.337 Base-Backbone interact. energy: -1.176 local terms energy: -677.778635 where: bonds (distance) C4'-P energy: -109.001 bonds (distance) P-C4' energy: -117.817 flat angles C4'-P-C4' energy: -147.503 flat angles P-C4'-P energy: -100.960 tors. eta vs tors. theta energy: -202.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2255.546343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.546343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.546343 (E_RNA) where: Base-Base interactions energy: -1568.805 where: short stacking energy: -673.389 Base-Backbone interact. energy: -0.764 local terms energy: -685.977353 where: bonds (distance) C4'-P energy: -125.918 bonds (distance) P-C4' energy: -102.843 flat angles C4'-P-C4' energy: -149.436 flat angles P-C4'-P energy: -96.572 tors. eta vs tors. theta energy: -211.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2215.323021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.323021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.323021 (E_RNA) where: Base-Base interactions energy: -1563.662 where: short stacking energy: -646.779 Base-Backbone interact. energy: -1.730 local terms energy: -649.931177 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -120.235 flat angles C4'-P-C4' energy: -140.182 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -206.342 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: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2058.859628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.859628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.859628 (E_RNA) where: Base-Base interactions energy: -1436.455 where: short stacking energy: -575.656 Base-Backbone interact. energy: -3.731 local terms energy: -618.673331 where: bonds (distance) C4'-P energy: -109.023 bonds (distance) P-C4' energy: -106.175 flat angles C4'-P-C4' energy: -139.812 flat angles P-C4'-P energy: -87.176 tors. eta vs tors. theta energy: -176.488 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: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1633.441848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.441848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.441848 (E_RNA) where: Base-Base interactions energy: -1092.699 where: short stacking energy: -481.942 Base-Backbone interact. energy: -0.950 local terms energy: -539.793516 where: bonds (distance) C4'-P energy: -111.923 bonds (distance) P-C4' energy: -98.314 flat angles C4'-P-C4' energy: -121.792 flat angles P-C4'-P energy: -76.043 tors. eta vs tors. theta energy: -131.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1322.015600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.015600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.015600 (E_RNA) where: Base-Base interactions energy: -868.994 where: short stacking energy: -373.629 Base-Backbone interact. energy: 3.523 local terms energy: -456.544571 where: bonds (distance) C4'-P energy: -112.351 bonds (distance) P-C4' energy: -105.656 flat angles C4'-P-C4' energy: -108.642 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -66.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -772.045295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.045295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.045295 (E_RNA) where: Base-Base interactions energy: -392.532 where: short stacking energy: -200.716 Base-Backbone interact. energy: 0.739 local terms energy: -380.252117 where: bonds (distance) C4'-P energy: -120.981 bonds (distance) P-C4' energy: -108.251 flat angles C4'-P-C4' energy: -82.539 flat angles P-C4'-P energy: -67.027 tors. eta vs tors. theta energy: -1.454 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: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2667.968441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.968441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.968441 (E_RNA) where: Base-Base interactions energy: -1903.043 where: short stacking energy: -781.357 Base-Backbone interact. energy: -0.513 local terms energy: -764.412544 where: bonds (distance) C4'-P energy: -128.091 bonds (distance) P-C4' energy: -129.930 flat angles C4'-P-C4' energy: -156.917 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -243.813 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: 184 Temperature: 0.950000 Total energy: -2575.852598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.852598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.852598 (E_RNA) where: Base-Base interactions energy: -1839.321 where: short stacking energy: -759.870 Base-Backbone interact. energy: 0.116 local terms energy: -736.648146 where: bonds (distance) C4'-P energy: -115.092 bonds (distance) P-C4' energy: -116.871 flat angles C4'-P-C4' energy: -162.296 flat angles P-C4'-P energy: -105.596 tors. eta vs tors. theta energy: -236.793 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: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2494.429535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.429535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.429535 (E_RNA) where: Base-Base interactions energy: -1746.998 where: short stacking energy: -722.237 Base-Backbone interact. energy: 1.432 local terms energy: -748.863935 where: bonds (distance) C4'-P energy: -126.941 bonds (distance) P-C4' energy: -145.076 flat angles C4'-P-C4' energy: -153.871 flat angles P-C4'-P energy: -95.269 tors. eta vs tors. theta energy: -227.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2310.380941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.380941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.380941 (E_RNA) where: Base-Base interactions energy: -1611.141 where: short stacking energy: -705.817 Base-Backbone interact. energy: -2.307 local terms energy: -696.933318 where: bonds (distance) C4'-P energy: -115.558 bonds (distance) P-C4' energy: -113.405 flat angles C4'-P-C4' energy: -148.766 flat angles P-C4'-P energy: -106.099 tors. eta vs tors. theta energy: -213.105 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: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2263.691965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.691965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.691965 (E_RNA) where: Base-Base interactions energy: -1579.564 where: short stacking energy: -668.709 Base-Backbone interact. energy: -1.571 local terms energy: -682.557034 where: bonds (distance) C4'-P energy: -121.661 bonds (distance) P-C4' energy: -120.080 flat angles C4'-P-C4' energy: -137.843 flat angles P-C4'-P energy: -86.578 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: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2245.905924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.905924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.905924 (E_RNA) where: Base-Base interactions energy: -1597.852 where: short stacking energy: -676.373 Base-Backbone interact. energy: -1.637 local terms energy: -646.416227 where: bonds (distance) C4'-P energy: -116.146 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -135.805 flat angles P-C4'-P energy: -81.365 tors. eta vs tors. theta energy: -221.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2035.064259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.064259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.064259 (E_RNA) where: Base-Base interactions energy: -1414.308 where: short stacking energy: -603.093 Base-Backbone interact. energy: 1.468 local terms energy: -622.223561 where: bonds (distance) C4'-P energy: -108.410 bonds (distance) P-C4' energy: -107.424 flat angles C4'-P-C4' energy: -147.571 flat angles P-C4'-P energy: -83.405 tors. eta vs tors. theta energy: -175.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1628.496279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.496279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.496279 (E_RNA) where: Base-Base interactions energy: -1081.259 where: short stacking energy: -450.227 Base-Backbone interact. energy: -3.303 local terms energy: -543.933997 where: bonds (distance) C4'-P energy: -106.239 bonds (distance) P-C4' energy: -121.564 flat angles C4'-P-C4' energy: -133.581 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -103.062 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: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1352.637307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.637307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.637307 (E_RNA) where: Base-Base interactions energy: -934.397 where: short stacking energy: -390.781 Base-Backbone interact. energy: -0.884 local terms energy: -417.355727 where: bonds (distance) C4'-P energy: -99.027 bonds (distance) P-C4' energy: -95.238 flat angles C4'-P-C4' energy: -93.453 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: -80.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -775.818223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.818223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.818223 (E_RNA) where: Base-Base interactions energy: -399.070 where: short stacking energy: -222.857 Base-Backbone interact. energy: -2.163 local terms energy: -374.584946 where: bonds (distance) C4'-P energy: -110.309 bonds (distance) P-C4' energy: -119.911 flat angles C4'-P-C4' energy: -88.403 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: 2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2659.596375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.596375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.596375 (E_RNA) where: Base-Base interactions energy: -1890.282 where: short stacking energy: -768.936 Base-Backbone interact. energy: -2.585 local terms energy: -766.728883 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -133.989 flat angles C4'-P-C4' energy: -163.056 flat angles P-C4'-P energy: -109.310 tors. eta vs tors. theta energy: -234.364 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: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2567.398384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.398384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.398384 (E_RNA) where: Base-Base interactions energy: -1803.365 where: short stacking energy: -752.917 Base-Backbone interact. energy: -2.296 local terms energy: -761.737231 where: bonds (distance) C4'-P energy: -133.132 bonds (distance) P-C4' energy: -134.674 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -110.999 tors. eta vs tors. theta energy: -232.953 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: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2570.472285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.472285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.472285 (E_RNA) where: Base-Base interactions energy: -1839.396 where: short stacking energy: -759.373 Base-Backbone interact. energy: 0.087 local terms energy: -731.162995 where: bonds (distance) C4'-P energy: -124.391 bonds (distance) P-C4' energy: -129.178 flat angles C4'-P-C4' energy: -152.098 flat angles P-C4'-P energy: -93.867 tors. eta vs tors. theta energy: -231.630 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: 4, replica: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2339.672866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.672866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.672866 (E_RNA) where: Base-Base interactions energy: -1619.352 where: short stacking energy: -653.201 Base-Backbone interact. energy: -1.077 local terms energy: -719.244460 where: bonds (distance) C4'-P energy: -118.788 bonds (distance) P-C4' energy: -130.912 flat angles C4'-P-C4' energy: -157.829 flat angles P-C4'-P energy: -104.847 tors. eta vs tors. theta energy: -206.869 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: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2256.191525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.191525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.191525 (E_RNA) where: Base-Base interactions energy: -1572.216 where: short stacking energy: -684.776 Base-Backbone interact. energy: -0.965 local terms energy: -683.010280 where: bonds (distance) C4'-P energy: -116.552 bonds (distance) P-C4' energy: -121.301 flat angles C4'-P-C4' energy: -148.958 flat angles P-C4'-P energy: -83.451 tors. eta vs tors. theta energy: -212.748 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: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2265.783251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.783251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.783251 (E_RNA) where: Base-Base interactions energy: -1595.757 where: short stacking energy: -677.400 Base-Backbone interact. energy: -1.635 local terms energy: -668.391002 where: bonds (distance) C4'-P energy: -113.649 bonds (distance) P-C4' energy: -116.611 flat angles C4'-P-C4' energy: -136.902 flat angles P-C4'-P energy: -91.330 tors. eta vs tors. theta energy: -209.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2056.779931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.779931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.779931 (E_RNA) where: Base-Base interactions energy: -1422.407 where: short stacking energy: -582.922 Base-Backbone interact. energy: -1.363 local terms energy: -633.009822 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -111.067 flat angles C4'-P-C4' energy: -143.431 flat angles P-C4'-P energy: -87.017 tors. eta vs tors. theta energy: -178.597 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: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1633.869467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.869467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.869467 (E_RNA) where: Base-Base interactions energy: -1105.178 where: short stacking energy: -460.559 Base-Backbone interact. energy: -3.600 local terms energy: -525.091717 where: bonds (distance) C4'-P energy: -107.386 bonds (distance) P-C4' energy: -118.389 flat angles C4'-P-C4' energy: -121.113 flat angles P-C4'-P energy: -71.566 tors. eta vs tors. theta energy: -106.638 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: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1408.049469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.049469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.049469 (E_RNA) where: Base-Base interactions energy: -952.107 where: short stacking energy: -409.226 Base-Backbone interact. energy: -1.839 local terms energy: -454.103956 where: bonds (distance) C4'-P energy: -101.733 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -102.918 flat angles P-C4'-P energy: -61.822 tors. eta vs tors. theta energy: -93.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -828.499769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.499769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.499769 (E_RNA) where: Base-Base interactions energy: -438.817 where: short stacking energy: -239.476 Base-Backbone interact. energy: 4.099 local terms energy: -393.781817 where: bonds (distance) C4'-P energy: -104.610 bonds (distance) P-C4' energy: -106.550 flat angles C4'-P-C4' energy: -96.704 flat angles P-C4'-P energy: -63.122 tors. eta vs tors. theta energy: -22.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2667.053119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.053119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.053119 (E_RNA) where: Base-Base interactions energy: -1907.753 where: short stacking energy: -792.701 Base-Backbone interact. energy: -2.003 local terms energy: -757.296989 where: bonds (distance) C4'-P energy: -121.901 bonds (distance) P-C4' energy: -135.480 flat angles C4'-P-C4' energy: -161.588 flat angles P-C4'-P energy: -95.258 tors. eta vs tors. theta energy: -243.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2570.995082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.995082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.995082 (E_RNA) where: Base-Base interactions energy: -1809.403 where: short stacking energy: -756.654 Base-Backbone interact. energy: 2.075 local terms energy: -763.667222 where: bonds (distance) C4'-P energy: -128.741 bonds (distance) P-C4' energy: -122.193 flat angles C4'-P-C4' energy: -164.723 flat angles P-C4'-P energy: -111.662 tors. eta vs tors. theta energy: -236.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2576.680976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.680976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.680976 (E_RNA) where: Base-Base interactions energy: -1826.280 where: short stacking energy: -761.900 Base-Backbone interact. energy: -2.227 local terms energy: -748.174300 where: bonds (distance) C4'-P energy: -114.200 bonds (distance) P-C4' energy: -130.875 flat angles C4'-P-C4' energy: -155.082 flat angles P-C4'-P energy: -112.431 tors. eta vs tors. theta energy: -235.587 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: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2310.065526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.065526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.065526 (E_RNA) where: Base-Base interactions energy: -1625.511 where: short stacking energy: -704.006 Base-Backbone interact. energy: -1.395 local terms energy: -683.159481 where: bonds (distance) C4'-P energy: -116.850 bonds (distance) P-C4' energy: -110.671 flat angles C4'-P-C4' energy: -145.469 flat angles P-C4'-P energy: -95.645 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: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2254.525705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.525705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.525705 (E_RNA) where: Base-Base interactions energy: -1557.990 where: short stacking energy: -650.700 Base-Backbone interact. energy: -0.698 local terms energy: -695.838084 where: bonds (distance) C4'-P energy: -124.477 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -142.064 flat angles P-C4'-P energy: -92.642 tors. eta vs tors. theta energy: -208.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2281.316227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.316227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.316227 (E_RNA) where: Base-Base interactions energy: -1629.353 where: short stacking energy: -670.267 Base-Backbone interact. energy: 3.510 local terms energy: -655.472522 where: bonds (distance) C4'-P energy: -91.711 bonds (distance) P-C4' energy: -126.379 flat angles C4'-P-C4' energy: -140.890 flat angles P-C4'-P energy: -78.269 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: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2015.765406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.765406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.765406 (E_RNA) where: Base-Base interactions energy: -1424.381 where: short stacking energy: -574.739 Base-Backbone interact. energy: -2.681 local terms energy: -588.703042 where: bonds (distance) C4'-P energy: -92.550 bonds (distance) P-C4' energy: -113.118 flat angles C4'-P-C4' energy: -127.281 flat angles P-C4'-P energy: -92.091 tors. eta vs tors. theta energy: -163.663 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: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1650.810550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.810550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.810550 (E_RNA) where: Base-Base interactions energy: -1115.576 where: short stacking energy: -444.635 Base-Backbone interact. energy: -1.371 local terms energy: -533.862930 where: bonds (distance) C4'-P energy: -124.085 bonds (distance) P-C4' energy: -109.256 flat angles C4'-P-C4' energy: -121.468 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -106.016 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: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1429.349770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.349770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.349770 (E_RNA) where: Base-Base interactions energy: -952.802 where: short stacking energy: -429.991 Base-Backbone interact. energy: -0.394 local terms energy: -476.154007 where: bonds (distance) C4'-P energy: -97.045 bonds (distance) P-C4' energy: -110.895 flat angles C4'-P-C4' energy: -97.162 flat angles P-C4'-P energy: -80.692 tors. eta vs tors. theta energy: -90.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -753.722281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.722281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.722281 (E_RNA) where: Base-Base interactions energy: -403.071 where: short stacking energy: -201.663 Base-Backbone interact. energy: 1.806 local terms energy: -352.458047 where: bonds (distance) C4'-P energy: -86.527 bonds (distance) P-C4' energy: -125.154 flat angles C4'-P-C4' energy: -96.101 flat angles P-C4'-P energy: -34.840 tors. eta vs tors. theta energy: -9.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2676.767301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.767301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.767301 (E_RNA) where: Base-Base interactions energy: -1885.550 where: short stacking energy: -770.054 Base-Backbone interact. energy: -3.400 local terms energy: -787.817450 where: bonds (distance) C4'-P energy: -141.207 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -152.193 flat angles P-C4'-P energy: -112.207 tors. eta vs tors. theta energy: -249.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2621.936659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.936659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.936659 (E_RNA) where: Base-Base interactions energy: -1852.662 where: short stacking energy: -771.423 Base-Backbone interact. energy: 0.229 local terms energy: -769.504523 where: bonds (distance) C4'-P energy: -129.366 bonds (distance) P-C4' energy: -140.641 flat angles C4'-P-C4' energy: -155.160 flat angles P-C4'-P energy: -109.228 tors. eta vs tors. theta energy: -235.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2529.566117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.566117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.566117 (E_RNA) where: Base-Base interactions energy: -1783.441 where: short stacking energy: -739.894 Base-Backbone interact. energy: -2.299 local terms energy: -743.825490 where: bonds (distance) C4'-P energy: -136.414 bonds (distance) P-C4' energy: -122.395 flat angles C4'-P-C4' energy: -151.337 flat angles P-C4'-P energy: -102.987 tors. eta vs tors. theta energy: -230.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2333.020991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.020991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.020991 (E_RNA) where: Base-Base interactions energy: -1617.952 where: short stacking energy: -708.698 Base-Backbone interact. energy: -3.631 local terms energy: -711.437267 where: bonds (distance) C4'-P energy: -125.821 bonds (distance) P-C4' energy: -126.088 flat angles C4'-P-C4' energy: -142.186 flat angles P-C4'-P energy: -105.170 tors. eta vs tors. theta energy: -212.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2213.752477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.752477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.752477 (E_RNA) where: Base-Base interactions energy: -1547.338 where: short stacking energy: -651.580 Base-Backbone interact. energy: 1.599 local terms energy: -668.013292 where: bonds (distance) C4'-P energy: -118.706 bonds (distance) P-C4' energy: -116.712 flat angles C4'-P-C4' energy: -142.304 flat angles P-C4'-P energy: -87.678 tors. eta vs tors. theta energy: -202.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2237.534122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.534122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.534122 (E_RNA) where: Base-Base interactions energy: -1567.557 where: short stacking energy: -632.633 Base-Backbone interact. energy: -1.455 local terms energy: -668.522917 where: bonds (distance) C4'-P energy: -121.958 bonds (distance) P-C4' energy: -114.681 flat angles C4'-P-C4' energy: -139.849 flat angles P-C4'-P energy: -94.163 tors. eta vs tors. theta energy: -197.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2069.177747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.177747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.177747 (E_RNA) where: Base-Base interactions energy: -1446.566 where: short stacking energy: -600.434 Base-Backbone interact. energy: -0.354 local terms energy: -622.257183 where: bonds (distance) C4'-P energy: -114.024 bonds (distance) P-C4' energy: -105.774 flat angles C4'-P-C4' energy: -140.519 flat angles P-C4'-P energy: -90.432 tors. eta vs tors. theta energy: -171.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1611.474147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.474147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.474147 (E_RNA) where: Base-Base interactions energy: -1081.637 where: short stacking energy: -443.022 Base-Backbone interact. energy: -1.355 local terms energy: -528.481475 where: bonds (distance) C4'-P energy: -96.529 bonds (distance) P-C4' energy: -117.169 flat angles C4'-P-C4' energy: -130.600 flat angles P-C4'-P energy: -84.549 tors. eta vs tors. theta energy: -99.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1322.984382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.984382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.984382 (E_RNA) where: Base-Base interactions energy: -844.101 where: short stacking energy: -378.038 Base-Backbone interact. energy: 0.847 local terms energy: -479.730305 where: bonds (distance) C4'-P energy: -106.228 bonds (distance) P-C4' energy: -97.859 flat angles C4'-P-C4' energy: -108.982 flat angles P-C4'-P energy: -82.503 tors. eta vs tors. theta energy: -84.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -790.482578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.482578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.482578 (E_RNA) where: Base-Base interactions energy: -434.391 where: short stacking energy: -243.199 Base-Backbone interact. energy: 2.895 local terms energy: -358.987175 where: bonds (distance) C4'-P energy: -101.778 bonds (distance) P-C4' energy: -90.517 flat angles C4'-P-C4' energy: -96.473 flat angles P-C4'-P energy: -55.898 tors. eta vs tors. theta energy: -14.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2673.091179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.091179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.091179 (E_RNA) where: Base-Base interactions energy: -1887.727 where: short stacking energy: -781.496 Base-Backbone interact. energy: 1.088 local terms energy: -786.452353 where: bonds (distance) C4'-P energy: -138.728 bonds (distance) P-C4' energy: -137.239 flat angles C4'-P-C4' energy: -159.419 flat angles P-C4'-P energy: -106.388 tors. eta vs tors. theta energy: -244.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2617.081288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.081288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.081288 (E_RNA) where: Base-Base interactions energy: -1870.281 where: short stacking energy: -766.864 Base-Backbone interact. energy: -2.006 local terms energy: -744.794471 where: bonds (distance) C4'-P energy: -111.337 bonds (distance) P-C4' energy: -134.748 flat angles C4'-P-C4' energy: -149.887 flat angles P-C4'-P energy: -117.150 tors. eta vs tors. theta energy: -231.672 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: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2535.905735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.905735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.905735 (E_RNA) where: Base-Base interactions energy: -1783.069 where: short stacking energy: -738.039 Base-Backbone interact. energy: -0.890 local terms energy: -751.946895 where: bonds (distance) C4'-P energy: -119.659 bonds (distance) P-C4' energy: -126.103 flat angles C4'-P-C4' energy: -164.303 flat angles P-C4'-P energy: -109.869 tors. eta vs tors. theta energy: -232.014 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: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2282.697619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.697619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.697619 (E_RNA) where: Base-Base interactions energy: -1601.319 where: short stacking energy: -687.550 Base-Backbone interact. energy: -0.518 local terms energy: -680.860633 where: bonds (distance) C4'-P energy: -99.820 bonds (distance) P-C4' energy: -131.192 flat angles C4'-P-C4' energy: -148.419 flat angles P-C4'-P energy: -87.949 tors. eta vs tors. theta energy: -213.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2319.436990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.436990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.436990 (E_RNA) where: Base-Base interactions energy: -1637.404 where: short stacking energy: -668.754 Base-Backbone interact. energy: -3.092 local terms energy: -678.941148 where: bonds (distance) C4'-P energy: -117.571 bonds (distance) P-C4' energy: -108.930 flat angles C4'-P-C4' energy: -159.317 flat angles P-C4'-P energy: -81.672 tors. eta vs tors. theta energy: -211.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2122.518567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.518567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.518567 (E_RNA) where: Base-Base interactions energy: -1481.626 where: short stacking energy: -614.788 Base-Backbone interact. energy: 0.661 local terms energy: -641.553766 where: bonds (distance) C4'-P energy: -105.245 bonds (distance) P-C4' energy: -116.176 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -89.300 tors. eta vs tors. theta energy: -197.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2058.707780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.707780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.707780 (E_RNA) where: Base-Base interactions energy: -1445.586 where: short stacking energy: -595.355 Base-Backbone interact. energy: -0.720 local terms energy: -612.401640 where: bonds (distance) C4'-P energy: -109.667 bonds (distance) P-C4' energy: -113.260 flat angles C4'-P-C4' energy: -123.175 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -167.130 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: 4 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1609.622000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.622000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.622000 (E_RNA) where: Base-Base interactions energy: -1093.779 where: short stacking energy: -459.027 Base-Backbone interact. energy: 2.879 local terms energy: -518.722457 where: bonds (distance) C4'-P energy: -113.843 bonds (distance) P-C4' energy: -114.129 flat angles C4'-P-C4' energy: -112.661 flat angles P-C4'-P energy: -79.094 tors. eta vs tors. theta energy: -98.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1387.546894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.546894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.546894 (E_RNA) where: Base-Base interactions energy: -889.680 where: short stacking energy: -380.213 Base-Backbone interact. energy: -0.869 local terms energy: -496.997982 where: bonds (distance) C4'-P energy: -116.355 bonds (distance) P-C4' energy: -106.353 flat angles C4'-P-C4' energy: -122.622 flat angles P-C4'-P energy: -68.856 tors. eta vs tors. theta energy: -82.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -839.871573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.871573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.871573 (E_RNA) where: Base-Base interactions energy: -453.551 where: short stacking energy: -210.462 Base-Backbone interact. energy: -0.664 local terms energy: -385.657338 where: bonds (distance) C4'-P energy: -109.493 bonds (distance) P-C4' energy: -116.396 flat angles C4'-P-C4' energy: -93.333 flat angles P-C4'-P energy: -59.407 tors. eta vs tors. theta energy: -7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2675.485783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.485783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.485783 (E_RNA) where: Base-Base interactions energy: -1885.763 where: short stacking energy: -771.549 Base-Backbone interact. energy: -0.576 local terms energy: -789.146323 where: bonds (distance) C4'-P energy: -142.462 bonds (distance) P-C4' energy: -145.802 flat angles C4'-P-C4' energy: -159.742 flat angles P-C4'-P energy: -108.732 tors. eta vs tors. theta energy: -232.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2624.596314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.596314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.596314 (E_RNA) where: Base-Base interactions energy: -1871.989 where: short stacking energy: -779.410 Base-Backbone interact. energy: -0.533 local terms energy: -752.074305 where: bonds (distance) C4'-P energy: -113.519 bonds (distance) P-C4' energy: -144.275 flat angles C4'-P-C4' energy: -158.626 flat angles P-C4'-P energy: -96.615 tors. eta vs tors. theta energy: -239.040 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: 189 Temperature: 1.000000 Total energy: -2524.520011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.520011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.520011 (E_RNA) where: Base-Base interactions energy: -1802.274 where: short stacking energy: -755.089 Base-Backbone interact. energy: -1.341 local terms energy: -720.904606 where: bonds (distance) C4'-P energy: -122.091 bonds (distance) P-C4' energy: -115.410 flat angles C4'-P-C4' energy: -154.701 flat angles P-C4'-P energy: -93.003 tors. eta vs tors. theta energy: -235.700 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: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2325.979917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.979917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.979917 (E_RNA) where: Base-Base interactions energy: -1618.065 where: short stacking energy: -683.812 Base-Backbone interact. energy: -0.907 local terms energy: -707.007980 where: bonds (distance) C4'-P energy: -136.726 bonds (distance) P-C4' energy: -118.750 flat angles C4'-P-C4' energy: -150.948 flat angles P-C4'-P energy: -97.362 tors. eta vs tors. theta energy: -203.223 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: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2295.739519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.739519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.739519 (E_RNA) where: Base-Base interactions energy: -1613.952 where: short stacking energy: -661.959 Base-Backbone interact. energy: -0.512 local terms energy: -681.275624 where: bonds (distance) C4'-P energy: -105.914 bonds (distance) P-C4' energy: -127.773 flat angles C4'-P-C4' energy: -154.039 flat angles P-C4'-P energy: -88.615 tors. eta vs tors. theta energy: -204.934 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: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2132.748903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.748903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.748903 (E_RNA) where: Base-Base interactions energy: -1478.463 where: short stacking energy: -625.672 Base-Backbone interact. energy: -3.057 local terms energy: -651.229555 where: bonds (distance) C4'-P energy: -108.759 bonds (distance) P-C4' energy: -121.531 flat angles C4'-P-C4' energy: -131.083 flat angles P-C4'-P energy: -92.657 tors. eta vs tors. theta energy: -197.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2092.613197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.613197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.613197 (E_RNA) where: Base-Base interactions energy: -1468.710 where: short stacking energy: -605.644 Base-Backbone interact. energy: -1.496 local terms energy: -622.407075 where: bonds (distance) C4'-P energy: -109.959 bonds (distance) P-C4' energy: -107.758 flat angles C4'-P-C4' energy: -133.760 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -180.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1610.120257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.120257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.120257 (E_RNA) where: Base-Base interactions energy: -1081.756 where: short stacking energy: -455.743 Base-Backbone interact. energy: -3.074 local terms energy: -525.290303 where: bonds (distance) C4'-P energy: -124.268 bonds (distance) P-C4' energy: -95.222 flat angles C4'-P-C4' energy: -131.037 flat angles P-C4'-P energy: -83.919 tors. eta vs tors. theta energy: -90.844 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: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1433.652079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.652079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.652079 (E_RNA) where: Base-Base interactions energy: -946.514 where: short stacking energy: -389.762 Base-Backbone interact. energy: 0.030 local terms energy: -487.167767 where: bonds (distance) C4'-P energy: -111.908 bonds (distance) P-C4' energy: -107.264 flat angles C4'-P-C4' energy: -122.442 flat angles P-C4'-P energy: -62.223 tors. eta vs tors. theta energy: -83.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -812.367380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.367380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.367380 (E_RNA) where: Base-Base interactions energy: -454.881 where: short stacking energy: -238.936 Base-Backbone interact. energy: -2.026 local terms energy: -355.460172 where: bonds (distance) C4'-P energy: -94.390 bonds (distance) P-C4' energy: -109.201 flat angles C4'-P-C4' energy: -75.731 flat angles P-C4'-P energy: -55.426 tors. eta vs tors. theta energy: -20.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2671.485284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.485284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.485284 (E_RNA) where: Base-Base interactions energy: -1905.341 where: short stacking energy: -777.165 Base-Backbone interact. energy: -2.439 local terms energy: -763.705989 where: bonds (distance) C4'-P energy: -121.220 bonds (distance) P-C4' energy: -134.644 flat angles C4'-P-C4' energy: -159.846 flat angles P-C4'-P energy: -114.970 tors. eta vs tors. theta energy: -233.026 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: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2614.078695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.078695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.078695 (E_RNA) where: Base-Base interactions energy: -1847.662 where: short stacking energy: -765.582 Base-Backbone interact. energy: -2.768 local terms energy: -763.648968 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -161.462 flat angles P-C4'-P energy: -110.235 tors. eta vs tors. theta energy: -234.088 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: 190 Temperature: 1.000000 Total energy: -2532.333492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.333492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.333492 (E_RNA) where: Base-Base interactions energy: -1798.645 where: short stacking energy: -739.723 Base-Backbone interact. energy: -3.056 local terms energy: -730.632665 where: bonds (distance) C4'-P energy: -134.680 bonds (distance) P-C4' energy: -128.923 flat angles C4'-P-C4' energy: -154.750 flat angles P-C4'-P energy: -94.451 tors. eta vs tors. theta energy: -217.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2313.043721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.043721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.043721 (E_RNA) where: Base-Base interactions energy: -1598.983 where: short stacking energy: -669.072 Base-Backbone interact. energy: -1.334 local terms energy: -712.726670 where: bonds (distance) C4'-P energy: -129.102 bonds (distance) P-C4' energy: -117.340 flat angles C4'-P-C4' energy: -156.578 flat angles P-C4'-P energy: -95.656 tors. eta vs tors. theta energy: -214.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2287.454923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.454923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.454923 (E_RNA) where: Base-Base interactions energy: -1588.509 where: short stacking energy: -672.982 Base-Backbone interact. energy: -1.303 local terms energy: -697.643661 where: bonds (distance) C4'-P energy: -123.183 bonds (distance) P-C4' energy: -117.135 flat angles C4'-P-C4' energy: -146.967 flat angles P-C4'-P energy: -86.240 tors. eta vs tors. theta energy: -224.120 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: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2134.190643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.190643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.190643 (E_RNA) where: Base-Base interactions energy: -1488.511 where: short stacking energy: -624.364 Base-Backbone interact. energy: 0.626 local terms energy: -646.306200 where: bonds (distance) C4'-P energy: -112.491 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -137.916 flat angles P-C4'-P energy: -92.293 tors. eta vs tors. theta energy: -186.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2153.572590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.572590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.572590 (E_RNA) where: Base-Base interactions energy: -1528.876 where: short stacking energy: -633.140 Base-Backbone interact. energy: -2.007 local terms energy: -622.690028 where: bonds (distance) C4'-P energy: -97.950 bonds (distance) P-C4' energy: -120.243 flat angles C4'-P-C4' energy: -131.173 flat angles P-C4'-P energy: -86.772 tors. eta vs tors. theta energy: -186.552 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: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1580.627081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.627081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.627081 (E_RNA) where: Base-Base interactions energy: -1058.650 where: short stacking energy: -459.835 Base-Backbone interact. energy: -1.091 local terms energy: -520.886262 where: bonds (distance) C4'-P energy: -106.787 bonds (distance) P-C4' energy: -115.011 flat angles C4'-P-C4' energy: -117.809 flat angles P-C4'-P energy: -75.604 tors. eta vs tors. theta energy: -105.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1408.745528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.745528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.745528 (E_RNA) where: Base-Base interactions energy: -949.785 where: short stacking energy: -400.419 Base-Backbone interact. energy: 0.152 local terms energy: -459.112194 where: bonds (distance) C4'-P energy: -102.627 bonds (distance) P-C4' energy: -106.376 flat angles C4'-P-C4' energy: -92.743 flat angles P-C4'-P energy: -74.097 tors. eta vs tors. theta energy: -83.270 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: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -888.477828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.477828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.477828 (E_RNA) where: Base-Base interactions energy: -492.859 where: short stacking energy: -232.929 Base-Backbone interact. energy: 1.018 local terms energy: -396.636776 where: bonds (distance) C4'-P energy: -111.717 bonds (distance) P-C4' energy: -107.520 flat angles C4'-P-C4' energy: -102.121 flat angles P-C4'-P energy: -58.918 tors. eta vs tors. theta energy: -16.362 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: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2673.404349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.404349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.404349 (E_RNA) where: Base-Base interactions energy: -1889.014 where: short stacking energy: -776.290 Base-Backbone interact. energy: -2.936 local terms energy: -781.454213 where: bonds (distance) C4'-P energy: -134.049 bonds (distance) P-C4' energy: -132.329 flat angles C4'-P-C4' energy: -165.149 flat angles P-C4'-P energy: -109.974 tors. eta vs tors. theta energy: -239.953 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: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2607.512401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.512401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.512401 (E_RNA) where: Base-Base interactions energy: -1841.931 where: short stacking energy: -755.892 Base-Backbone interact. energy: -1.273 local terms energy: -764.308205 where: bonds (distance) C4'-P energy: -128.491 bonds (distance) P-C4' energy: -135.863 flat angles C4'-P-C4' energy: -153.601 flat angles P-C4'-P energy: -110.851 tors. eta vs tors. theta energy: -235.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2512.918350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.918350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.918350 (E_RNA) where: Base-Base interactions energy: -1784.266 where: short stacking energy: -720.321 Base-Backbone interact. energy: -0.659 local terms energy: -727.992842 where: bonds (distance) C4'-P energy: -125.918 bonds (distance) P-C4' energy: -130.467 flat angles C4'-P-C4' energy: -143.167 flat angles P-C4'-P energy: -99.704 tors. eta vs tors. theta energy: -228.736 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: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2336.736972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.736972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.736972 (E_RNA) where: Base-Base interactions energy: -1629.881 where: short stacking energy: -663.521 Base-Backbone interact. energy: -1.730 local terms energy: -705.126342 where: bonds (distance) C4'-P energy: -118.544 bonds (distance) P-C4' energy: -117.252 flat angles C4'-P-C4' energy: -156.131 flat angles P-C4'-P energy: -106.579 tors. eta vs tors. theta energy: -206.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2301.724214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.724214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.724214 (E_RNA) where: Base-Base interactions energy: -1630.337 where: short stacking energy: -686.495 Base-Backbone interact. energy: -0.985 local terms energy: -670.402121 where: bonds (distance) C4'-P energy: -112.823 bonds (distance) P-C4' energy: -125.159 flat angles C4'-P-C4' energy: -135.579 flat angles P-C4'-P energy: -80.488 tors. eta vs tors. theta energy: -216.353 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: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2195.399861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.399861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.399861 (E_RNA) where: Base-Base interactions energy: -1501.924 where: short stacking energy: -630.136 Base-Backbone interact. energy: -0.174 local terms energy: -693.301552 where: bonds (distance) C4'-P energy: -126.382 bonds (distance) P-C4' energy: -116.649 flat angles C4'-P-C4' energy: -143.448 flat angles P-C4'-P energy: -102.029 tors. eta vs tors. theta energy: -204.793 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: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2059.360609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.360609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.360609 (E_RNA) where: Base-Base interactions energy: -1407.807 where: short stacking energy: -586.715 Base-Backbone interact. energy: -1.622 local terms energy: -649.930985 where: bonds (distance) C4'-P energy: -116.418 bonds (distance) P-C4' energy: -116.587 flat angles C4'-P-C4' energy: -146.939 flat angles P-C4'-P energy: -97.963 tors. eta vs tors. theta energy: -172.024 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: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1556.369511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.369511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.369511 (E_RNA) where: Base-Base interactions energy: -1024.038 where: short stacking energy: -439.253 Base-Backbone interact. energy: -0.829 local terms energy: -531.502566 where: bonds (distance) C4'-P energy: -128.791 bonds (distance) P-C4' energy: -107.764 flat angles C4'-P-C4' energy: -111.329 flat angles P-C4'-P energy: -74.072 tors. eta vs tors. theta energy: -109.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1332.795335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.795335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.795335 (E_RNA) where: Base-Base interactions energy: -864.168 where: short stacking energy: -381.342 Base-Backbone interact. energy: -0.993 local terms energy: -467.634019 where: bonds (distance) C4'-P energy: -106.173 bonds (distance) P-C4' energy: -119.831 flat angles C4'-P-C4' energy: -113.592 flat angles P-C4'-P energy: -49.301 tors. eta vs tors. theta energy: -78.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -954.199159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.199159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.199159 (E_RNA) where: Base-Base interactions energy: -567.989 where: short stacking energy: -272.771 Base-Backbone interact. energy: 7.298 local terms energy: -393.508628 where: bonds (distance) C4'-P energy: -93.606 bonds (distance) P-C4' energy: -117.532 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -51.248 tors. eta vs tors. theta energy: -37.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2652.980211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.980211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.980211 (E_RNA) where: Base-Base interactions energy: -1869.377 where: short stacking energy: -769.890 Base-Backbone interact. energy: -2.204 local terms energy: -781.399893 where: bonds (distance) C4'-P energy: -136.971 bonds (distance) P-C4' energy: -133.225 flat angles C4'-P-C4' energy: -158.030 flat angles P-C4'-P energy: -115.711 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: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2617.878575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.878575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.878575 (E_RNA) where: Base-Base interactions energy: -1863.942 where: short stacking energy: -773.725 Base-Backbone interact. energy: 1.097 local terms energy: -755.033171 where: bonds (distance) C4'-P energy: -134.547 bonds (distance) P-C4' energy: -109.091 flat angles C4'-P-C4' energy: -165.991 flat angles P-C4'-P energy: -107.646 tors. eta vs tors. theta energy: -237.758 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: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2521.638150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.638150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.638150 (E_RNA) where: Base-Base interactions energy: -1794.974 where: short stacking energy: -745.799 Base-Backbone interact. energy: -0.244 local terms energy: -726.420014 where: bonds (distance) C4'-P energy: -119.906 bonds (distance) P-C4' energy: -122.794 flat angles C4'-P-C4' energy: -156.684 flat angles P-C4'-P energy: -104.552 tors. eta vs tors. theta energy: -222.484 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: 192 Temperature: 1.050000 Total energy: -2330.727286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.727286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.727286 (E_RNA) where: Base-Base interactions energy: -1618.103 where: short stacking energy: -714.442 Base-Backbone interact. energy: 1.181 local terms energy: -713.805055 where: bonds (distance) C4'-P energy: -104.726 bonds (distance) P-C4' energy: -132.636 flat angles C4'-P-C4' energy: -159.820 flat angles P-C4'-P energy: -102.866 tors. eta vs tors. theta energy: -213.756 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: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2317.271307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.271307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.271307 (E_RNA) where: Base-Base interactions energy: -1628.037 where: short stacking energy: -687.993 Base-Backbone interact. energy: 2.892 local terms energy: -692.125978 where: bonds (distance) C4'-P energy: -114.296 bonds (distance) P-C4' energy: -119.341 flat angles C4'-P-C4' energy: -150.886 flat angles P-C4'-P energy: -85.439 tors. eta vs tors. theta energy: -222.165 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: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2156.556857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.556857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.556857 (E_RNA) where: Base-Base interactions energy: -1514.136 where: short stacking energy: -621.898 Base-Backbone interact. energy: -0.427 local terms energy: -641.994164 where: bonds (distance) C4'-P energy: -106.432 bonds (distance) P-C4' energy: -124.327 flat angles C4'-P-C4' energy: -129.302 flat angles P-C4'-P energy: -91.080 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: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2020.028532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.028532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.028532 (E_RNA) where: Base-Base interactions energy: -1395.863 where: short stacking energy: -598.711 Base-Backbone interact. energy: -3.130 local terms energy: -621.034656 where: bonds (distance) C4'-P energy: -115.596 bonds (distance) P-C4' energy: -111.464 flat angles C4'-P-C4' energy: -143.019 flat angles P-C4'-P energy: -71.839 tors. eta vs tors. theta energy: -179.117 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: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1630.490887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.490887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.490887 (E_RNA) where: Base-Base interactions energy: -1089.649 where: short stacking energy: -462.095 Base-Backbone interact. energy: -1.218 local terms energy: -539.623406 where: bonds (distance) C4'-P energy: -117.796 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -128.102 flat angles P-C4'-P energy: -64.941 tors. eta vs tors. theta energy: -105.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1359.733654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.733654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.733654 (E_RNA) where: Base-Base interactions energy: -852.216 where: short stacking energy: -388.127 Base-Backbone interact. energy: -0.330 local terms energy: -507.187412 where: bonds (distance) C4'-P energy: -117.839 bonds (distance) P-C4' energy: -116.753 flat angles C4'-P-C4' energy: -94.362 flat angles P-C4'-P energy: -86.996 tors. eta vs tors. theta energy: -91.238 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: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -997.367924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.367924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.367924 (E_RNA) where: Base-Base interactions energy: -596.653 where: short stacking energy: -278.848 Base-Backbone interact. energy: 3.329 local terms energy: -404.043442 where: bonds (distance) C4'-P energy: -91.421 bonds (distance) P-C4' energy: -108.182 flat angles C4'-P-C4' energy: -105.107 flat angles P-C4'-P energy: -64.791 tors. eta vs tors. theta energy: -34.542 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: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2651.199013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.199013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.199013 (E_RNA) where: Base-Base interactions energy: -1860.852 where: short stacking energy: -775.325 Base-Backbone interact. energy: 2.015 local terms energy: -792.362702 where: bonds (distance) C4'-P energy: -134.492 bonds (distance) P-C4' energy: -147.127 flat angles C4'-P-C4' energy: -150.437 flat angles P-C4'-P energy: -117.354 tors. eta vs tors. theta energy: -242.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2622.233494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.233494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.233494 (E_RNA) where: Base-Base interactions energy: -1847.885 where: short stacking energy: -757.590 Base-Backbone interact. energy: -2.727 local terms energy: -771.621881 where: bonds (distance) C4'-P energy: -132.687 bonds (distance) P-C4' energy: -127.234 flat angles C4'-P-C4' energy: -162.336 flat angles P-C4'-P energy: -116.183 tors. eta vs tors. theta energy: -233.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2533.669172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.669172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.669172 (E_RNA) where: Base-Base interactions energy: -1777.439 where: short stacking energy: -742.394 Base-Backbone interact. energy: -0.110 local terms energy: -756.120382 where: bonds (distance) C4'-P energy: -141.074 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -147.207 flat angles P-C4'-P energy: -100.221 tors. eta vs tors. theta energy: -234.682 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: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2347.054881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.054881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.054881 (E_RNA) where: Base-Base interactions energy: -1665.744 where: short stacking energy: -707.772 Base-Backbone interact. energy: -0.638 local terms energy: -680.672885 where: bonds (distance) C4'-P energy: -116.043 bonds (distance) P-C4' energy: -110.351 flat angles C4'-P-C4' energy: -140.924 flat angles P-C4'-P energy: -94.300 tors. eta vs tors. theta energy: -219.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2238.612825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.612825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.612825 (E_RNA) where: Base-Base interactions energy: -1573.641 where: short stacking energy: -658.870 Base-Backbone interact. energy: 0.471 local terms energy: -665.443306 where: bonds (distance) C4'-P energy: -111.994 bonds (distance) P-C4' energy: -108.754 flat angles C4'-P-C4' energy: -142.753 flat angles P-C4'-P energy: -94.843 tors. eta vs tors. theta energy: -207.099 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: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2321.166586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.166586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.166586 (E_RNA) where: Base-Base interactions energy: -1609.309 where: short stacking energy: -645.866 Base-Backbone interact. energy: 1.966 local terms energy: -713.823854 where: bonds (distance) C4'-P energy: -124.900 bonds (distance) P-C4' energy: -132.104 flat angles C4'-P-C4' energy: -146.980 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -209.489 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: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1981.705403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.705403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.705403 (E_RNA) where: Base-Base interactions energy: -1364.231 where: short stacking energy: -552.634 Base-Backbone interact. energy: -0.131 local terms energy: -617.344189 where: bonds (distance) C4'-P energy: -117.811 bonds (distance) P-C4' energy: -126.569 flat angles C4'-P-C4' energy: -129.929 flat angles P-C4'-P energy: -85.891 tors. eta vs tors. theta energy: -157.144 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: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1614.994043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.994043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.994043 (E_RNA) where: Base-Base interactions energy: -1136.994 where: short stacking energy: -454.951 Base-Backbone interact. energy: -2.913 local terms energy: -475.087590 where: bonds (distance) C4'-P energy: -91.243 bonds (distance) P-C4' energy: -107.439 flat angles C4'-P-C4' energy: -103.155 flat angles P-C4'-P energy: -69.977 tors. eta vs tors. theta energy: -103.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1364.042666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.042666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.042666 (E_RNA) where: Base-Base interactions energy: -900.440 where: short stacking energy: -391.961 Base-Backbone interact. energy: 1.722 local terms energy: -465.324415 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -120.107 flat angles C4'-P-C4' energy: -118.520 flat angles P-C4'-P energy: -60.028 tors. eta vs tors. theta energy: -74.453 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: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -925.863914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.863914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.863914 (E_RNA) where: Base-Base interactions energy: -501.814 where: short stacking energy: -222.485 Base-Backbone interact. energy: -0.970 local terms energy: -423.079237 where: bonds (distance) C4'-P energy: -114.291 bonds (distance) P-C4' energy: -121.986 flat angles C4'-P-C4' energy: -98.590 flat angles P-C4'-P energy: -61.909 tors. eta vs tors. theta energy: -26.303 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: 194 Temperature: 0.900000 Total energy: -2640.456928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.456928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.456928 (E_RNA) where: Base-Base interactions energy: -1856.188 where: short stacking energy: -775.071 Base-Backbone interact. energy: -1.051 local terms energy: -783.217941 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -138.843 flat angles C4'-P-C4' energy: -151.944 flat angles P-C4'-P energy: -118.523 tors. eta vs tors. theta energy: -237.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2602.316999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.316999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.316999 (E_RNA) where: Base-Base interactions energy: -1839.257 where: short stacking energy: -777.828 Base-Backbone interact. energy: -0.788 local terms energy: -762.271728 where: bonds (distance) C4'-P energy: -132.582 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -161.509 flat angles P-C4'-P energy: -96.717 tors. eta vs tors. theta energy: -236.339 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: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2487.834849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.834849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.834849 (E_RNA) where: Base-Base interactions energy: -1748.984 where: short stacking energy: -713.698 Base-Backbone interact. energy: -1.207 local terms energy: -737.643616 where: bonds (distance) C4'-P energy: -132.206 bonds (distance) P-C4' energy: -132.517 flat angles C4'-P-C4' energy: -151.911 flat angles P-C4'-P energy: -108.589 tors. eta vs tors. theta energy: -212.420 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: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2372.957004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.957004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.957004 (E_RNA) where: Base-Base interactions energy: -1681.625 where: short stacking energy: -699.721 Base-Backbone interact. energy: 2.531 local terms energy: -693.862548 where: bonds (distance) C4'-P energy: -123.131 bonds (distance) P-C4' energy: -117.377 flat angles C4'-P-C4' energy: -149.322 flat angles P-C4'-P energy: -98.797 tors. eta vs tors. theta energy: -205.235 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: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2352.757740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.757740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.757740 (E_RNA) where: Base-Base interactions energy: -1674.788 where: short stacking energy: -687.094 Base-Backbone interact. energy: -0.733 local terms energy: -677.236663 where: bonds (distance) C4'-P energy: -109.368 bonds (distance) P-C4' energy: -106.238 flat angles C4'-P-C4' energy: -152.901 flat angles P-C4'-P energy: -93.654 tors. eta vs tors. theta energy: -215.076 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: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2224.569729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.569729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.569729 (E_RNA) where: Base-Base interactions energy: -1580.045 where: short stacking energy: -655.829 Base-Backbone interact. energy: 2.327 local terms energy: -646.851804 where: bonds (distance) C4'-P energy: -104.448 bonds (distance) P-C4' energy: -111.521 flat angles C4'-P-C4' energy: -135.951 flat angles P-C4'-P energy: -101.401 tors. eta vs tors. theta energy: -193.531 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: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1981.871255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.871255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.871255 (E_RNA) where: Base-Base interactions energy: -1388.408 where: short stacking energy: -593.384 Base-Backbone interact. energy: 1.533 local terms energy: -594.996062 where: bonds (distance) C4'-P energy: -87.286 bonds (distance) P-C4' energy: -132.056 flat angles C4'-P-C4' energy: -137.948 flat angles P-C4'-P energy: -69.185 tors. eta vs tors. theta energy: -168.521 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: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1680.911021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.911021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.911021 (E_RNA) where: Base-Base interactions energy: -1115.777 where: short stacking energy: -459.190 Base-Backbone interact. energy: -0.940 local terms energy: -564.193541 where: bonds (distance) C4'-P energy: -105.046 bonds (distance) P-C4' energy: -125.626 flat angles C4'-P-C4' energy: -133.244 flat angles P-C4'-P energy: -74.950 tors. eta vs tors. theta energy: -125.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1345.081361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.081361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.081361 (E_RNA) where: Base-Base interactions energy: -865.887 where: short stacking energy: -407.544 Base-Backbone interact. energy: 5.576 local terms energy: -484.771336 where: bonds (distance) C4'-P energy: -98.295 bonds (distance) P-C4' energy: -117.285 flat angles C4'-P-C4' energy: -106.481 flat angles P-C4'-P energy: -75.818 tors. eta vs tors. theta energy: -86.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -810.668053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.668053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.668053 (E_RNA) where: Base-Base interactions energy: -457.811 where: short stacking energy: -226.352 Base-Backbone interact. energy: 2.140 local terms energy: -354.996680 where: bonds (distance) C4'-P energy: -106.233 bonds (distance) P-C4' energy: -95.093 flat angles C4'-P-C4' energy: -102.175 flat angles P-C4'-P energy: -54.294 tors. eta vs tors. theta energy: 2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2650.343071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.343071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.343071 (E_RNA) where: Base-Base interactions energy: -1855.416 where: short stacking energy: -784.009 Base-Backbone interact. energy: -2.251 local terms energy: -792.676414 where: bonds (distance) C4'-P energy: -146.271 bonds (distance) P-C4' energy: -132.619 flat angles C4'-P-C4' energy: -163.627 flat angles P-C4'-P energy: -112.674 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: 2, replica: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2622.170177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.170177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.170177 (E_RNA) where: Base-Base interactions energy: -1853.045 where: short stacking energy: -760.266 Base-Backbone interact. energy: -1.530 local terms energy: -767.594728 where: bonds (distance) C4'-P energy: -132.937 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -167.275 flat angles P-C4'-P energy: -99.382 tors. eta vs tors. theta energy: -238.463 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: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2534.031285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.031285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.031285 (E_RNA) where: Base-Base interactions energy: -1783.771 where: short stacking energy: -730.493 Base-Backbone interact. energy: -1.739 local terms energy: -748.521850 where: bonds (distance) C4'-P energy: -122.043 bonds (distance) P-C4' energy: -138.741 flat angles C4'-P-C4' energy: -159.151 flat angles P-C4'-P energy: -103.110 tors. eta vs tors. theta energy: -225.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2370.382295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.382295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.382295 (E_RNA) where: Base-Base interactions energy: -1685.441 where: short stacking energy: -694.415 Base-Backbone interact. energy: -2.176 local terms energy: -682.766012 where: bonds (distance) C4'-P energy: -97.566 bonds (distance) P-C4' energy: -113.090 flat angles C4'-P-C4' energy: -151.090 flat angles P-C4'-P energy: -108.688 tors. eta vs tors. theta energy: -212.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2370.811774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.811774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.811774 (E_RNA) where: Base-Base interactions energy: -1690.879 where: short stacking energy: -729.413 Base-Backbone interact. energy: -2.932 local terms energy: -677.000309 where: bonds (distance) C4'-P energy: -105.121 bonds (distance) P-C4' energy: -110.263 flat angles C4'-P-C4' energy: -148.638 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: -218.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2181.473426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.473426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.473426 (E_RNA) where: Base-Base interactions energy: -1515.366 where: short stacking energy: -651.668 Base-Backbone interact. energy: -2.285 local terms energy: -663.821865 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -111.542 flat angles C4'-P-C4' energy: -140.411 flat angles P-C4'-P energy: -78.387 tors. eta vs tors. theta energy: -214.126 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: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1977.993089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.993089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.993089 (E_RNA) where: Base-Base interactions energy: -1395.965 where: short stacking energy: -596.861 Base-Backbone interact. energy: 0.125 local terms energy: -582.153234 where: bonds (distance) C4'-P energy: -108.200 bonds (distance) P-C4' energy: -98.078 flat angles C4'-P-C4' energy: -134.126 flat angles P-C4'-P energy: -78.117 tors. eta vs tors. theta energy: -163.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1590.568032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.568032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.568032 (E_RNA) where: Base-Base interactions energy: -1043.942 where: short stacking energy: -457.474 Base-Backbone interact. energy: -0.519 local terms energy: -546.107849 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -120.184 flat angles C4'-P-C4' energy: -124.031 flat angles P-C4'-P energy: -78.493 tors. eta vs tors. theta energy: -104.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1324.201908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.201908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.201908 (E_RNA) where: Base-Base interactions energy: -828.226 where: short stacking energy: -381.577 Base-Backbone interact. energy: -2.460 local terms energy: -493.515832 where: bonds (distance) C4'-P energy: -111.172 bonds (distance) P-C4' energy: -104.904 flat angles C4'-P-C4' energy: -126.420 flat angles P-C4'-P energy: -65.926 tors. eta vs tors. theta energy: -85.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -817.153569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.153569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.153569 (E_RNA) where: Base-Base interactions energy: -435.295 where: short stacking energy: -235.543 Base-Backbone interact. energy: 0.222 local terms energy: -382.080820 where: bonds (distance) C4'-P energy: -104.025 bonds (distance) P-C4' energy: -116.968 flat angles C4'-P-C4' energy: -99.710 flat angles P-C4'-P energy: -50.612 tors. eta vs tors. theta energy: -10.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2679.470228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.470228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.470228 (E_RNA) where: Base-Base interactions energy: -1905.518 where: short stacking energy: -801.321 Base-Backbone interact. energy: -1.658 local terms energy: -772.293603 where: bonds (distance) C4'-P energy: -135.857 bonds (distance) P-C4' energy: -133.399 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -102.424 tors. eta vs tors. theta energy: -246.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2634.103357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.103357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.103357 (E_RNA) where: Base-Base interactions energy: -1882.541 where: short stacking energy: -789.149 Base-Backbone interact. energy: 3.411 local terms energy: -754.973609 where: bonds (distance) C4'-P energy: -134.221 bonds (distance) P-C4' energy: -110.599 flat angles C4'-P-C4' energy: -164.644 flat angles P-C4'-P energy: -102.898 tors. eta vs tors. theta energy: -242.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2510.371116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.371116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.371116 (E_RNA) where: Base-Base interactions energy: -1802.565 where: short stacking energy: -728.171 Base-Backbone interact. energy: -2.067 local terms energy: -705.738798 where: bonds (distance) C4'-P energy: -113.009 bonds (distance) P-C4' energy: -112.044 flat angles C4'-P-C4' energy: -159.413 flat angles P-C4'-P energy: -94.298 tors. eta vs tors. theta energy: -226.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2410.271706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.271706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.271706 (E_RNA) where: Base-Base interactions energy: -1676.123 where: short stacking energy: -717.452 Base-Backbone interact. energy: -1.839 local terms energy: -732.309753 where: bonds (distance) C4'-P energy: -120.148 bonds (distance) P-C4' energy: -132.488 flat angles C4'-P-C4' energy: -147.482 flat angles P-C4'-P energy: -102.045 tors. eta vs tors. theta energy: -230.147 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: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2289.632875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.632875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.632875 (E_RNA) where: Base-Base interactions energy: -1621.908 where: short stacking energy: -680.032 Base-Backbone interact. energy: -1.745 local terms energy: -665.980574 where: bonds (distance) C4'-P energy: -117.459 bonds (distance) P-C4' energy: -114.348 flat angles C4'-P-C4' energy: -139.695 flat angles P-C4'-P energy: -86.807 tors. eta vs tors. theta energy: -207.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2193.426073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.426073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.426073 (E_RNA) where: Base-Base interactions energy: -1527.923 where: short stacking energy: -652.404 Base-Backbone interact. energy: 0.731 local terms energy: -666.234445 where: bonds (distance) C4'-P energy: -111.498 bonds (distance) P-C4' energy: -113.743 flat angles C4'-P-C4' energy: -150.574 flat angles P-C4'-P energy: -85.689 tors. eta vs tors. theta energy: -204.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1962.528661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.528661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.528661 (E_RNA) where: Base-Base interactions energy: -1356.694 where: short stacking energy: -570.512 Base-Backbone interact. energy: 3.144 local terms energy: -608.978656 where: bonds (distance) C4'-P energy: -118.960 bonds (distance) P-C4' energy: -118.139 flat angles C4'-P-C4' energy: -131.000 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -160.264 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: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1577.432980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.432980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.432980 (E_RNA) where: Base-Base interactions energy: -1024.100 where: short stacking energy: -438.960 Base-Backbone interact. energy: -2.113 local terms energy: -551.219643 where: bonds (distance) C4'-P energy: -122.277 bonds (distance) P-C4' energy: -123.923 flat angles C4'-P-C4' energy: -120.891 flat angles P-C4'-P energy: -84.900 tors. eta vs tors. theta energy: -99.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1315.535623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.535623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.535623 (E_RNA) where: Base-Base interactions energy: -862.180 where: short stacking energy: -390.469 Base-Backbone interact. energy: -2.271 local terms energy: -451.083687 where: bonds (distance) C4'-P energy: -76.859 bonds (distance) P-C4' energy: -107.515 flat angles C4'-P-C4' energy: -122.360 flat angles P-C4'-P energy: -66.578 tors. eta vs tors. theta energy: -77.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -819.875430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.875430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.875430 (E_RNA) where: Base-Base interactions energy: -456.450 where: short stacking energy: -230.382 Base-Backbone interact. energy: 6.059 local terms energy: -369.484073 where: bonds (distance) C4'-P energy: -91.310 bonds (distance) P-C4' energy: -112.291 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -55.986 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2679.204306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.204306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.204306 (E_RNA) where: Base-Base interactions energy: -1906.913 where: short stacking energy: -793.188 Base-Backbone interact. energy: -1.440 local terms energy: -770.851479 where: bonds (distance) C4'-P energy: -130.758 bonds (distance) P-C4' energy: -130.382 flat angles C4'-P-C4' energy: -166.449 flat angles P-C4'-P energy: -99.931 tors. eta vs tors. theta energy: -243.331 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: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2616.755922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.755922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.755922 (E_RNA) where: Base-Base interactions energy: -1851.990 where: short stacking energy: -778.488 Base-Backbone interact. energy: -1.390 local terms energy: -763.375382 where: bonds (distance) C4'-P energy: -115.041 bonds (distance) P-C4' energy: -125.885 flat angles C4'-P-C4' energy: -163.220 flat angles P-C4'-P energy: -112.986 tors. eta vs tors. theta energy: -246.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2502.041021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.041021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.041021 (E_RNA) where: Base-Base interactions energy: -1767.308 where: short stacking energy: -748.840 Base-Backbone interact. energy: 4.014 local terms energy: -738.746405 where: bonds (distance) C4'-P energy: -129.031 bonds (distance) P-C4' energy: -115.275 flat angles C4'-P-C4' energy: -159.256 flat angles P-C4'-P energy: -107.941 tors. eta vs tors. theta energy: -227.243 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: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2422.329620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.329620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.329620 (E_RNA) where: Base-Base interactions energy: -1737.103 where: short stacking energy: -707.188 Base-Backbone interact. energy: -0.543 local terms energy: -684.682735 where: bonds (distance) C4'-P energy: -112.888 bonds (distance) P-C4' energy: -119.768 flat angles C4'-P-C4' energy: -140.827 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -224.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2308.270684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.270684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.270684 (E_RNA) where: Base-Base interactions energy: -1615.252 where: short stacking energy: -692.182 Base-Backbone interact. energy: -0.460 local terms energy: -692.557869 where: bonds (distance) C4'-P energy: -113.982 bonds (distance) P-C4' energy: -129.751 flat angles C4'-P-C4' energy: -152.236 flat angles P-C4'-P energy: -87.836 tors. eta vs tors. theta energy: -208.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2198.734283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.734283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.734283 (E_RNA) where: Base-Base interactions energy: -1519.336 where: short stacking energy: -650.329 Base-Backbone interact. energy: -0.875 local terms energy: -678.523503 where: bonds (distance) C4'-P energy: -113.149 bonds (distance) P-C4' energy: -130.882 flat angles C4'-P-C4' energy: -146.381 flat angles P-C4'-P energy: -88.849 tors. eta vs tors. theta energy: -199.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2003.263704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.263704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.263704 (E_RNA) where: Base-Base interactions energy: -1378.303 where: short stacking energy: -571.849 Base-Backbone interact. energy: 0.775 local terms energy: -625.735601 where: bonds (distance) C4'-P energy: -93.567 bonds (distance) P-C4' energy: -126.159 flat angles C4'-P-C4' energy: -153.504 flat angles P-C4'-P energy: -84.248 tors. eta vs tors. theta energy: -168.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1701.251127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.251127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.251127 (E_RNA) where: Base-Base interactions energy: -1139.221 where: short stacking energy: -490.424 Base-Backbone interact. energy: 0.317 local terms energy: -562.347135 where: bonds (distance) C4'-P energy: -109.730 bonds (distance) P-C4' energy: -121.338 flat angles C4'-P-C4' energy: -113.529 flat angles P-C4'-P energy: -82.963 tors. eta vs tors. theta energy: -134.788 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: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1320.803947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.803947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.803947 (E_RNA) where: Base-Base interactions energy: -861.127 where: short stacking energy: -384.332 Base-Backbone interact. energy: -0.914 local terms energy: -458.762338 where: bonds (distance) C4'-P energy: -104.861 bonds (distance) P-C4' energy: -108.369 flat angles C4'-P-C4' energy: -109.221 flat angles P-C4'-P energy: -65.307 tors. eta vs tors. theta energy: -71.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -775.024980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.024980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.024980 (E_RNA) where: Base-Base interactions energy: -404.757 where: short stacking energy: -220.863 Base-Backbone interact. energy: 2.847 local terms energy: -373.114707 where: bonds (distance) C4'-P energy: -103.670 bonds (distance) P-C4' energy: -112.039 flat angles C4'-P-C4' energy: -99.323 flat angles P-C4'-P energy: -62.713 tors. eta vs tors. theta energy: 4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2660.433314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.433314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.433314 (E_RNA) where: Base-Base interactions energy: -1883.253 where: short stacking energy: -785.753 Base-Backbone interact. energy: -1.083 local terms energy: -776.096767 where: bonds (distance) C4'-P energy: -140.608 bonds (distance) P-C4' energy: -134.505 flat angles C4'-P-C4' energy: -153.517 flat angles P-C4'-P energy: -111.412 tors. eta vs tors. theta energy: -236.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2633.433878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.433878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.433878 (E_RNA) where: Base-Base interactions energy: -1885.278 where: short stacking energy: -778.802 Base-Backbone interact. energy: -2.034 local terms energy: -746.121427 where: bonds (distance) C4'-P energy: -113.296 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -153.754 flat angles P-C4'-P energy: -104.611 tors. eta vs tors. theta energy: -240.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2460.374534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.374534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.374534 (E_RNA) where: Base-Base interactions energy: -1746.413 where: short stacking energy: -716.227 Base-Backbone interact. energy: -3.686 local terms energy: -710.275839 where: bonds (distance) C4'-P energy: -121.711 bonds (distance) P-C4' energy: -122.015 flat angles C4'-P-C4' energy: -141.591 flat angles P-C4'-P energy: -110.878 tors. eta vs tors. theta energy: -214.080 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: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2463.249933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.249933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.249933 (E_RNA) where: Base-Base interactions energy: -1740.439 where: short stacking energy: -726.354 Base-Backbone interact. energy: -2.432 local terms energy: -720.378443 where: bonds (distance) C4'-P energy: -119.814 bonds (distance) P-C4' energy: -122.680 flat angles C4'-P-C4' energy: -148.050 flat angles P-C4'-P energy: -108.101 tors. eta vs tors. theta energy: -221.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2282.106750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.106750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.106750 (E_RNA) where: Base-Base interactions energy: -1585.580 where: short stacking energy: -663.594 Base-Backbone interact. energy: 0.410 local terms energy: -696.936804 where: bonds (distance) C4'-P energy: -112.763 bonds (distance) P-C4' energy: -135.424 flat angles C4'-P-C4' energy: -143.363 flat angles P-C4'-P energy: -88.691 tors. eta vs tors. theta energy: -216.696 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: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2151.403378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.403378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.403378 (E_RNA) where: Base-Base interactions energy: -1500.055 where: short stacking energy: -662.279 Base-Backbone interact. energy: -1.147 local terms energy: -650.201584 where: bonds (distance) C4'-P energy: -105.579 bonds (distance) P-C4' energy: -128.793 flat angles C4'-P-C4' energy: -129.200 flat angles P-C4'-P energy: -78.649 tors. eta vs tors. theta energy: -207.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1982.801685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.801685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.801685 (E_RNA) where: Base-Base interactions energy: -1384.104 where: short stacking energy: -569.342 Base-Backbone interact. energy: -3.941 local terms energy: -594.756751 where: bonds (distance) C4'-P energy: -120.410 bonds (distance) P-C4' energy: -98.482 flat angles C4'-P-C4' energy: -133.485 flat angles P-C4'-P energy: -74.772 tors. eta vs tors. theta energy: -167.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1628.384576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.384576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.384576 (E_RNA) where: Base-Base interactions energy: -1068.995 where: short stacking energy: -472.262 Base-Backbone interact. energy: -0.855 local terms energy: -558.533966 where: bonds (distance) C4'-P energy: -121.816 bonds (distance) P-C4' energy: -104.908 flat angles C4'-P-C4' energy: -124.828 flat angles P-C4'-P energy: -88.812 tors. eta vs tors. theta energy: -118.171 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: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1320.946657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.946657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.946657 (E_RNA) where: Base-Base interactions energy: -850.589 where: short stacking energy: -378.941 Base-Backbone interact. energy: -0.013 local terms energy: -470.345130 where: bonds (distance) C4'-P energy: -85.914 bonds (distance) P-C4' energy: -127.026 flat angles C4'-P-C4' energy: -106.980 flat angles P-C4'-P energy: -90.807 tors. eta vs tors. theta energy: -59.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -779.500907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.500907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.500907 (E_RNA) where: Base-Base interactions energy: -403.826 where: short stacking energy: -203.879 Base-Backbone interact. energy: 9.810 local terms energy: -385.485529 where: bonds (distance) C4'-P energy: -113.240 bonds (distance) P-C4' energy: -108.991 flat angles C4'-P-C4' energy: -92.976 flat angles P-C4'-P energy: -54.825 tors. eta vs tors. theta energy: -15.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2678.005322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.005322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.005322 (E_RNA) where: Base-Base interactions energy: -1911.687 where: short stacking energy: -791.579 Base-Backbone interact. energy: 0.735 local terms energy: -767.053376 where: bonds (distance) C4'-P energy: -123.309 bonds (distance) P-C4' energy: -135.101 flat angles C4'-P-C4' energy: -161.474 flat angles P-C4'-P energy: -105.670 tors. eta vs tors. theta energy: -241.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2640.271247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.271247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.271247 (E_RNA) where: Base-Base interactions energy: -1839.536 where: short stacking energy: -759.157 Base-Backbone interact. energy: -2.355 local terms energy: -798.380475 where: bonds (distance) C4'-P energy: -148.394 bonds (distance) P-C4' energy: -130.770 flat angles C4'-P-C4' energy: -158.540 flat angles P-C4'-P energy: -118.136 tors. eta vs tors. theta energy: -242.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2405.040463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.040463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.040463 (E_RNA) where: Base-Base interactions energy: -1719.617 where: short stacking energy: -712.357 Base-Backbone interact. energy: -0.800 local terms energy: -684.622856 where: bonds (distance) C4'-P energy: -115.488 bonds (distance) P-C4' energy: -138.923 flat angles C4'-P-C4' energy: -140.256 flat angles P-C4'-P energy: -87.076 tors. eta vs tors. theta energy: -202.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2444.915623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.915623 (E_RNA) where: Base-Base interactions energy: -1713.954 where: short stacking energy: -691.588 Base-Backbone interact. energy: -0.560 local terms energy: -730.401778 where: bonds (distance) C4'-P energy: -137.588 bonds (distance) P-C4' energy: -126.180 flat angles C4'-P-C4' energy: -151.010 flat angles P-C4'-P energy: -98.184 tors. eta vs tors. theta energy: -217.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2294.850385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.850385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.850385 (E_RNA) where: Base-Base interactions energy: -1641.039 where: short stacking energy: -688.926 Base-Backbone interact. energy: 2.060 local terms energy: -655.870720 where: bonds (distance) C4'-P energy: -102.921 bonds (distance) P-C4' energy: -107.443 flat angles C4'-P-C4' energy: -145.182 flat angles P-C4'-P energy: -85.837 tors. eta vs tors. theta energy: -214.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2133.103604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.103604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.103604 (E_RNA) where: Base-Base interactions energy: -1484.776 where: short stacking energy: -631.397 Base-Backbone interact. energy: -1.385 local terms energy: -646.942228 where: bonds (distance) C4'-P energy: -107.206 bonds (distance) P-C4' energy: -110.503 flat angles C4'-P-C4' energy: -151.694 flat angles P-C4'-P energy: -90.014 tors. eta vs tors. theta energy: -187.525 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: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1942.812810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.812810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.812810 (E_RNA) where: Base-Base interactions energy: -1341.630 where: short stacking energy: -549.335 Base-Backbone interact. energy: 0.675 local terms energy: -601.857964 where: bonds (distance) C4'-P energy: -120.801 bonds (distance) P-C4' energy: -112.612 flat angles C4'-P-C4' energy: -119.751 flat angles P-C4'-P energy: -98.608 tors. eta vs tors. theta energy: -150.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1666.448585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.448585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.448585 (E_RNA) where: Base-Base interactions energy: -1114.052 where: short stacking energy: -465.980 Base-Backbone interact. energy: -0.052 local terms energy: -552.344894 where: bonds (distance) C4'-P energy: -116.022 bonds (distance) P-C4' energy: -114.550 flat angles C4'-P-C4' energy: -128.139 flat angles P-C4'-P energy: -71.369 tors. eta vs tors. theta energy: -122.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1280.937224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.937224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.937224 (E_RNA) where: Base-Base interactions energy: -826.785 where: short stacking energy: -361.813 Base-Backbone interact. energy: -0.214 local terms energy: -453.938625 where: bonds (distance) C4'-P energy: -111.266 bonds (distance) P-C4' energy: -104.995 flat angles C4'-P-C4' energy: -114.199 flat angles P-C4'-P energy: -60.986 tors. eta vs tors. theta energy: -62.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -741.753805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.753805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.753805 (E_RNA) where: Base-Base interactions energy: -348.089 where: short stacking energy: -196.382 Base-Backbone interact. energy: -0.040 local terms energy: -393.624296 where: bonds (distance) C4'-P energy: -110.519 bonds (distance) P-C4' energy: -115.954 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -52.424 tors. eta vs tors. theta energy: -14.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2678.167891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.167891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.167891 (E_RNA) where: Base-Base interactions energy: -1910.425 where: short stacking energy: -785.679 Base-Backbone interact. energy: -1.500 local terms energy: -766.242526 where: bonds (distance) C4'-P energy: -132.403 bonds (distance) P-C4' energy: -119.849 flat angles C4'-P-C4' energy: -157.344 flat angles P-C4'-P energy: -114.180 tors. eta vs tors. theta energy: -242.467 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: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2648.982645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.982645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.982645 (E_RNA) where: Base-Base interactions energy: -1870.894 where: short stacking energy: -763.744 Base-Backbone interact. energy: -0.730 local terms energy: -777.358524 where: bonds (distance) C4'-P energy: -137.108 bonds (distance) P-C4' energy: -135.568 flat angles C4'-P-C4' energy: -152.027 flat angles P-C4'-P energy: -112.866 tors. eta vs tors. theta energy: -239.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2513.073708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.073708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.073708 (E_RNA) where: Base-Base interactions energy: -1803.426 where: short stacking energy: -729.861 Base-Backbone interact. energy: -0.936 local terms energy: -708.712037 where: bonds (distance) C4'-P energy: -121.332 bonds (distance) P-C4' energy: -111.491 flat angles C4'-P-C4' energy: -159.961 flat angles P-C4'-P energy: -99.075 tors. eta vs tors. theta energy: -216.854 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: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2414.784078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.784078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.784078 (E_RNA) where: Base-Base interactions energy: -1715.868 where: short stacking energy: -688.366 Base-Backbone interact. energy: -1.478 local terms energy: -697.438195 where: bonds (distance) C4'-P energy: -128.174 bonds (distance) P-C4' energy: -108.965 flat angles C4'-P-C4' energy: -152.450 flat angles P-C4'-P energy: -104.114 tors. eta vs tors. theta energy: -203.735 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: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2324.931997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.931997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.931997 (E_RNA) where: Base-Base interactions energy: -1630.987 where: short stacking energy: -679.065 Base-Backbone interact. energy: -2.010 local terms energy: -691.934377 where: bonds (distance) C4'-P energy: -121.534 bonds (distance) P-C4' energy: -127.994 flat angles C4'-P-C4' energy: -143.226 flat angles P-C4'-P energy: -91.272 tors. eta vs tors. theta energy: -207.909 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: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2112.079542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.079542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.079542 (E_RNA) where: Base-Base interactions energy: -1484.323 where: short stacking energy: -623.031 Base-Backbone interact. energy: -0.645 local terms energy: -627.111710 where: bonds (distance) C4'-P energy: -106.770 bonds (distance) P-C4' energy: -125.364 flat angles C4'-P-C4' energy: -134.262 flat angles P-C4'-P energy: -83.605 tors. eta vs tors. theta energy: -177.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1967.151449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.151449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.151449 (E_RNA) where: Base-Base interactions energy: -1341.221 where: short stacking energy: -593.484 Base-Backbone interact. energy: -0.495 local terms energy: -625.435555 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -120.300 flat angles C4'-P-C4' energy: -127.355 flat angles P-C4'-P energy: -91.776 tors. eta vs tors. theta energy: -165.443 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: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1588.250585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.250585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.250585 (E_RNA) where: Base-Base interactions energy: -1076.540 where: short stacking energy: -455.040 Base-Backbone interact. energy: 1.633 local terms energy: -513.343943 where: bonds (distance) C4'-P energy: -101.871 bonds (distance) P-C4' energy: -111.952 flat angles C4'-P-C4' energy: -119.035 flat angles P-C4'-P energy: -74.733 tors. eta vs tors. theta energy: -105.753 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: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1296.202617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.202617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.202617 (E_RNA) where: Base-Base interactions energy: -816.646 where: short stacking energy: -353.511 Base-Backbone interact. energy: -2.498 local terms energy: -477.058287 where: bonds (distance) C4'-P energy: -118.436 bonds (distance) P-C4' energy: -97.477 flat angles C4'-P-C4' energy: -127.583 flat angles P-C4'-P energy: -63.544 tors. eta vs tors. theta energy: -70.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -832.251167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.251167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.251167 (E_RNA) where: Base-Base interactions energy: -452.637 where: short stacking energy: -242.932 Base-Backbone interact. energy: -4.706 local terms energy: -374.908351 where: bonds (distance) C4'-P energy: -85.054 bonds (distance) P-C4' energy: -107.033 flat angles C4'-P-C4' energy: -103.398 flat angles P-C4'-P energy: -62.668 tors. eta vs tors. theta energy: -16.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2655.903986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.903986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.903986 (E_RNA) where: Base-Base interactions energy: -1869.009 where: short stacking energy: -796.694 Base-Backbone interact. energy: 0.206 local terms energy: -787.101842 where: bonds (distance) C4'-P energy: -139.030 bonds (distance) P-C4' energy: -135.890 flat angles C4'-P-C4' energy: -167.625 flat angles P-C4'-P energy: -102.994 tors. eta vs tors. theta energy: -241.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2636.602637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.602637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.602637 (E_RNA) where: Base-Base interactions energy: -1881.642 where: short stacking energy: -775.108 Base-Backbone interact. energy: -1.965 local terms energy: -752.996026 where: bonds (distance) C4'-P energy: -137.669 bonds (distance) P-C4' energy: -126.139 flat angles C4'-P-C4' energy: -152.230 flat angles P-C4'-P energy: -100.159 tors. eta vs tors. theta energy: -236.799 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: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2515.920052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.920052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.920052 (E_RNA) where: Base-Base interactions energy: -1773.410 where: short stacking energy: -743.349 Base-Backbone interact. energy: 2.100 local terms energy: -744.609802 where: bonds (distance) C4'-P energy: -125.230 bonds (distance) P-C4' energy: -135.945 flat angles C4'-P-C4' energy: -153.982 flat angles P-C4'-P energy: -109.162 tors. eta vs tors. theta energy: -220.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2417.121814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.121814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.121814 (E_RNA) where: Base-Base interactions energy: -1718.586 where: short stacking energy: -684.628 Base-Backbone interact. energy: -2.949 local terms energy: -695.587349 where: bonds (distance) C4'-P energy: -107.628 bonds (distance) P-C4' energy: -128.578 flat angles C4'-P-C4' energy: -146.189 flat angles P-C4'-P energy: -108.755 tors. eta vs tors. theta energy: -204.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2345.416003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.416003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.416003 (E_RNA) where: Base-Base interactions energy: -1649.096 where: short stacking energy: -696.428 Base-Backbone interact. energy: 0.854 local terms energy: -697.173340 where: bonds (distance) C4'-P energy: -122.380 bonds (distance) P-C4' energy: -105.749 flat angles C4'-P-C4' energy: -144.977 flat angles P-C4'-P energy: -108.532 tors. eta vs tors. theta energy: -215.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2098.390972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.390972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.390972 (E_RNA) where: Base-Base interactions energy: -1446.759 where: short stacking energy: -611.270 Base-Backbone interact. energy: -1.869 local terms energy: -649.762836 where: bonds (distance) C4'-P energy: -122.884 bonds (distance) P-C4' energy: -120.204 flat angles C4'-P-C4' energy: -130.845 flat angles P-C4'-P energy: -90.538 tors. eta vs tors. theta energy: -185.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1930.968739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.968739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.968739 (E_RNA) where: Base-Base interactions energy: -1333.676 where: short stacking energy: -578.557 Base-Backbone interact. energy: -0.433 local terms energy: -596.859273 where: bonds (distance) C4'-P energy: -112.255 bonds (distance) P-C4' energy: -104.554 flat angles C4'-P-C4' energy: -130.823 flat angles P-C4'-P energy: -85.109 tors. eta vs tors. theta energy: -164.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1597.303069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.303069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.303069 (E_RNA) where: Base-Base interactions energy: -1086.196 where: short stacking energy: -463.716 Base-Backbone interact. energy: -0.941 local terms energy: -510.166292 where: bonds (distance) C4'-P energy: -102.355 bonds (distance) P-C4' energy: -94.878 flat angles C4'-P-C4' energy: -128.226 flat angles P-C4'-P energy: -80.763 tors. eta vs tors. theta energy: -103.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1320.096773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.096773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.096773 (E_RNA) where: Base-Base interactions energy: -849.986 where: short stacking energy: -355.180 Base-Backbone interact. energy: -2.112 local terms energy: -467.998576 where: bonds (distance) C4'-P energy: -113.336 bonds (distance) P-C4' energy: -103.026 flat angles C4'-P-C4' energy: -117.152 flat angles P-C4'-P energy: -57.655 tors. eta vs tors. theta energy: -76.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -759.921798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.921798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.921798 (E_RNA) where: Base-Base interactions energy: -406.108 where: short stacking energy: -208.101 Base-Backbone interact. energy: 0.334 local terms energy: -354.148303 where: bonds (distance) C4'-P energy: -94.887 bonds (distance) P-C4' energy: -109.252 flat angles C4'-P-C4' energy: -101.251 flat angles P-C4'-P energy: -49.083 tors. eta vs tors. theta energy: 0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2674.249631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.249631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.249631 (E_RNA) where: Base-Base interactions energy: -1901.821 where: short stacking energy: -768.609 Base-Backbone interact. energy: -2.248 local terms energy: -770.180456 where: bonds (distance) C4'-P energy: -127.659 bonds (distance) P-C4' energy: -148.885 flat angles C4'-P-C4' energy: -156.941 flat angles P-C4'-P energy: -101.395 tors. eta vs tors. theta energy: -235.301 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: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2600.858174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.858174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.858174 (E_RNA) where: Base-Base interactions energy: -1855.956 where: short stacking energy: -777.961 Base-Backbone interact. energy: -1.387 local terms energy: -743.515335 where: bonds (distance) C4'-P energy: -115.239 bonds (distance) P-C4' energy: -141.257 flat angles C4'-P-C4' energy: -150.515 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -234.395 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: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2554.802852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.802852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.802852 (E_RNA) where: Base-Base interactions energy: -1814.686 where: short stacking energy: -757.981 Base-Backbone interact. energy: -0.392 local terms energy: -739.724907 where: bonds (distance) C4'-P energy: -123.090 bonds (distance) P-C4' energy: -113.457 flat angles C4'-P-C4' energy: -156.664 flat angles P-C4'-P energy: -117.005 tors. eta vs tors. theta energy: -229.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2396.269848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.269848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.269848 (E_RNA) where: Base-Base interactions energy: -1708.055 where: short stacking energy: -686.407 Base-Backbone interact. energy: -3.083 local terms energy: -685.132668 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -115.322 flat angles C4'-P-C4' energy: -134.729 flat angles P-C4'-P energy: -102.717 tors. eta vs tors. theta energy: -209.848 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: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2343.659129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.659129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.659129 (E_RNA) where: Base-Base interactions energy: -1650.681 where: short stacking energy: -695.562 Base-Backbone interact. energy: 2.127 local terms energy: -695.104548 where: bonds (distance) C4'-P energy: -122.950 bonds (distance) P-C4' energy: -117.156 flat angles C4'-P-C4' energy: -148.266 flat angles P-C4'-P energy: -88.534 tors. eta vs tors. theta energy: -218.198 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: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2096.647711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.647711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.647711 (E_RNA) where: Base-Base interactions energy: -1457.124 where: short stacking energy: -600.145 Base-Backbone interact. energy: -1.021 local terms energy: -638.502816 where: bonds (distance) C4'-P energy: -106.098 bonds (distance) P-C4' energy: -118.677 flat angles C4'-P-C4' energy: -139.426 flat angles P-C4'-P energy: -94.685 tors. eta vs tors. theta energy: -179.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2011.122818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.122818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.122818 (E_RNA) where: Base-Base interactions energy: -1389.694 where: short stacking energy: -591.842 Base-Backbone interact. energy: 4.154 local terms energy: -625.582355 where: bonds (distance) C4'-P energy: -122.040 bonds (distance) P-C4' energy: -93.676 flat angles C4'-P-C4' energy: -138.462 flat angles P-C4'-P energy: -89.594 tors. eta vs tors. theta energy: -181.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1585.988970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.988970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.988970 (E_RNA) where: Base-Base interactions energy: -1034.460 where: short stacking energy: -456.641 Base-Backbone interact. energy: -4.033 local terms energy: -547.496946 where: bonds (distance) C4'-P energy: -101.248 bonds (distance) P-C4' energy: -122.450 flat angles C4'-P-C4' energy: -124.380 flat angles P-C4'-P energy: -86.685 tors. eta vs tors. theta energy: -112.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1369.438732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.438732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.438732 (E_RNA) where: Base-Base interactions energy: -881.469 where: short stacking energy: -398.609 Base-Backbone interact. energy: -1.639 local terms energy: -486.330564 where: bonds (distance) C4'-P energy: -102.932 bonds (distance) P-C4' energy: -109.893 flat angles C4'-P-C4' energy: -85.801 flat angles P-C4'-P energy: -86.782 tors. eta vs tors. theta energy: -100.923 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: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -772.823819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.823819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.823819 (E_RNA) where: Base-Base interactions energy: -361.469 where: short stacking energy: -177.434 Base-Backbone interact. energy: 0.679 local terms energy: -412.033977 where: bonds (distance) C4'-P energy: -131.559 bonds (distance) P-C4' energy: -112.488 flat angles C4'-P-C4' energy: -108.244 flat angles P-C4'-P energy: -58.226 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2677.034436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.034436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.034436 (E_RNA) where: Base-Base interactions energy: -1884.557 where: short stacking energy: -776.013 Base-Backbone interact. energy: -1.247 local terms energy: -791.229722 where: bonds (distance) C4'-P energy: -138.963 bonds (distance) P-C4' energy: -146.687 flat angles C4'-P-C4' energy: -160.336 flat angles P-C4'-P energy: -109.312 tors. eta vs tors. theta energy: -235.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2617.571340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.571340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.571340 (E_RNA) where: Base-Base interactions energy: -1836.335 where: short stacking energy: -770.449 Base-Backbone interact. energy: -2.052 local terms energy: -779.184095 where: bonds (distance) C4'-P energy: -134.640 bonds (distance) P-C4' energy: -133.643 flat angles C4'-P-C4' energy: -161.719 flat angles P-C4'-P energy: -108.470 tors. eta vs tors. theta energy: -240.711 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: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2526.275376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.275376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.275376 (E_RNA) where: Base-Base interactions energy: -1770.756 where: short stacking energy: -732.344 Base-Backbone interact. energy: -1.179 local terms energy: -754.340433 where: bonds (distance) C4'-P energy: -137.476 bonds (distance) P-C4' energy: -123.836 flat angles C4'-P-C4' energy: -157.429 flat angles P-C4'-P energy: -113.083 tors. eta vs tors. theta energy: -222.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2387.381217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.381217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.381217 (E_RNA) where: Base-Base interactions energy: -1672.997 where: short stacking energy: -703.092 Base-Backbone interact. energy: -0.714 local terms energy: -713.670273 where: bonds (distance) C4'-P energy: -118.602 bonds (distance) P-C4' energy: -127.654 flat angles C4'-P-C4' energy: -153.003 flat angles P-C4'-P energy: -94.117 tors. eta vs tors. theta energy: -220.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2332.263101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.263101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.263101 (E_RNA) where: Base-Base interactions energy: -1654.407 where: short stacking energy: -679.203 Base-Backbone interact. energy: -2.300 local terms energy: -675.556268 where: bonds (distance) C4'-P energy: -99.315 bonds (distance) P-C4' energy: -128.561 flat angles C4'-P-C4' energy: -139.455 flat angles P-C4'-P energy: -103.623 tors. eta vs tors. theta energy: -204.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2065.019044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.019044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.019044 (E_RNA) where: Base-Base interactions energy: -1449.905 where: short stacking energy: -617.585 Base-Backbone interact. energy: 2.669 local terms energy: -617.782802 where: bonds (distance) C4'-P energy: -103.791 bonds (distance) P-C4' energy: -119.804 flat angles C4'-P-C4' energy: -133.161 flat angles P-C4'-P energy: -80.593 tors. eta vs tors. theta energy: -180.434 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: 203 Temperature: 1.200000 Total energy: -2022.590856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.590856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.590856 (E_RNA) where: Base-Base interactions energy: -1412.478 where: short stacking energy: -576.147 Base-Backbone interact. energy: -1.058 local terms energy: -609.054892 where: bonds (distance) C4'-P energy: -130.721 bonds (distance) P-C4' energy: -99.552 flat angles C4'-P-C4' energy: -108.611 flat angles P-C4'-P energy: -101.090 tors. eta vs tors. theta energy: -169.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1559.549005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.549005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.549005 (E_RNA) where: Base-Base interactions energy: -1037.655 where: short stacking energy: -432.683 Base-Backbone interact. energy: -2.351 local terms energy: -519.543326 where: bonds (distance) C4'-P energy: -115.434 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -81.663 tors. eta vs tors. theta energy: -111.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1372.179007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.179007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.179007 (E_RNA) where: Base-Base interactions energy: -908.235 where: short stacking energy: -395.903 Base-Backbone interact. energy: 0.109 local terms energy: -464.052767 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -120.613 flat angles C4'-P-C4' energy: -86.373 flat angles P-C4'-P energy: -65.091 tors. eta vs tors. theta energy: -70.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -738.244293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.244293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.244293 (E_RNA) where: Base-Base interactions energy: -362.666 where: short stacking energy: -195.225 Base-Backbone interact. energy: 0.686 local terms energy: -376.263388 where: bonds (distance) C4'-P energy: -108.668 bonds (distance) P-C4' energy: -130.768 flat angles C4'-P-C4' energy: -101.007 flat angles P-C4'-P energy: -53.185 tors. eta vs tors. theta energy: 17.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2654.381543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.381543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.381543 (E_RNA) where: Base-Base interactions energy: -1886.485 where: short stacking energy: -759.977 Base-Backbone interact. energy: -2.741 local terms energy: -765.155283 where: bonds (distance) C4'-P energy: -127.481 bonds (distance) P-C4' energy: -128.393 flat angles C4'-P-C4' energy: -162.548 flat angles P-C4'-P energy: -106.032 tors. eta vs tors. theta energy: -240.700 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: 2, replica: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2607.429734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.429734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.429734 (E_RNA) where: Base-Base interactions energy: -1835.716 where: short stacking energy: -751.745 Base-Backbone interact. energy: 0.996 local terms energy: -772.709593 where: bonds (distance) C4'-P energy: -128.226 bonds (distance) P-C4' energy: -146.310 flat angles C4'-P-C4' energy: -159.967 flat angles P-C4'-P energy: -110.081 tors. eta vs tors. theta energy: -228.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2519.203450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.203450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.203450 (E_RNA) where: Base-Base interactions energy: -1787.835 where: short stacking energy: -733.194 Base-Backbone interact. energy: 1.232 local terms energy: -732.600385 where: bonds (distance) C4'-P energy: -123.704 bonds (distance) P-C4' energy: -119.665 flat angles C4'-P-C4' energy: -155.434 flat angles P-C4'-P energy: -106.159 tors. eta vs tors. theta energy: -227.639 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: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2415.450572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.450572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.450572 (E_RNA) where: Base-Base interactions energy: -1703.325 where: short stacking energy: -708.961 Base-Backbone interact. energy: 3.147 local terms energy: -715.272601 where: bonds (distance) C4'-P energy: -132.204 bonds (distance) P-C4' energy: -110.628 flat angles C4'-P-C4' energy: -147.123 flat angles P-C4'-P energy: -94.192 tors. eta vs tors. theta energy: -231.125 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: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2379.850555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.850555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.850555 (E_RNA) where: Base-Base interactions energy: -1688.748 where: short stacking energy: -700.568 Base-Backbone interact. energy: 2.653 local terms energy: -693.756192 where: bonds (distance) C4'-P energy: -118.163 bonds (distance) P-C4' energy: -124.941 flat angles C4'-P-C4' energy: -134.853 flat angles P-C4'-P energy: -98.161 tors. eta vs tors. theta energy: -217.638 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: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2050.124317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.124317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.124317 (E_RNA) where: Base-Base interactions energy: -1436.838 where: short stacking energy: -614.688 Base-Backbone interact. energy: 0.501 local terms energy: -613.786786 where: bonds (distance) C4'-P energy: -115.976 bonds (distance) P-C4' energy: -105.707 flat angles C4'-P-C4' energy: -131.546 flat angles P-C4'-P energy: -83.740 tors. eta vs tors. theta energy: -176.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1935.752991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.752991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.752991 (E_RNA) where: Base-Base interactions energy: -1347.596 where: short stacking energy: -584.664 Base-Backbone interact. energy: -2.402 local terms energy: -585.754645 where: bonds (distance) C4'-P energy: -115.200 bonds (distance) P-C4' energy: -102.456 flat angles C4'-P-C4' energy: -141.939 flat angles P-C4'-P energy: -79.330 tors. eta vs tors. theta energy: -146.829 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: 8, replica: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1554.759438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.759438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.759438 (E_RNA) where: Base-Base interactions energy: -1027.843 where: short stacking energy: -449.751 Base-Backbone interact. energy: 0.909 local terms energy: -527.825788 where: bonds (distance) C4'-P energy: -92.831 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -136.306 flat angles P-C4'-P energy: -91.584 tors. eta vs tors. theta energy: -99.850 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: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1277.269805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.269805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.269805 (E_RNA) where: Base-Base interactions energy: -830.396 where: short stacking energy: -331.558 Base-Backbone interact. energy: 2.823 local terms energy: -449.696577 where: bonds (distance) C4'-P energy: -96.270 bonds (distance) P-C4' energy: -121.370 flat angles C4'-P-C4' energy: -105.273 flat angles P-C4'-P energy: -77.522 tors. eta vs tors. theta energy: -49.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -727.319818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.319818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.319818 (E_RNA) where: Base-Base interactions energy: -337.558 where: short stacking energy: -204.758 Base-Backbone interact. energy: 6.867 local terms energy: -396.628497 where: bonds (distance) C4'-P energy: -104.178 bonds (distance) P-C4' energy: -108.889 flat angles C4'-P-C4' energy: -119.474 flat angles P-C4'-P energy: -64.415 tors. eta vs tors. theta energy: 0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2667.745397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.745397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.745397 (E_RNA) where: Base-Base interactions energy: -1884.253 where: short stacking energy: -752.212 Base-Backbone interact. energy: 0.096 local terms energy: -783.587745 where: bonds (distance) C4'-P energy: -142.094 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -154.782 flat angles P-C4'-P energy: -119.914 tors. eta vs tors. theta energy: -235.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2615.338131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.338131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.338131 (E_RNA) where: Base-Base interactions energy: -1820.806 where: short stacking energy: -757.559 Base-Backbone interact. energy: -2.692 local terms energy: -791.839660 where: bonds (distance) C4'-P energy: -144.012 bonds (distance) P-C4' energy: -141.556 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -112.182 tors. eta vs tors. theta energy: -238.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2556.281347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.281347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.281347 (E_RNA) where: Base-Base interactions energy: -1827.820 where: short stacking energy: -745.049 Base-Backbone interact. energy: -1.654 local terms energy: -726.807836 where: bonds (distance) C4'-P energy: -128.235 bonds (distance) P-C4' energy: -123.448 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -106.064 tors. eta vs tors. theta energy: -221.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2384.076435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.076435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.076435 (E_RNA) where: Base-Base interactions energy: -1658.811 where: short stacking energy: -704.973 Base-Backbone interact. energy: -1.667 local terms energy: -723.598557 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -140.404 flat angles C4'-P-C4' energy: -158.956 flat angles P-C4'-P energy: -103.908 tors. eta vs tors. theta energy: -222.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2349.417472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.417472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.417472 (E_RNA) where: Base-Base interactions energy: -1667.240 where: short stacking energy: -681.246 Base-Backbone interact. energy: -2.331 local terms energy: -679.847012 where: bonds (distance) C4'-P energy: -111.515 bonds (distance) P-C4' energy: -122.676 flat angles C4'-P-C4' energy: -145.713 flat angles P-C4'-P energy: -84.116 tors. eta vs tors. theta energy: -215.826 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: 205 Temperature: 1.150000 Total energy: -2039.772380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.772380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.772380 (E_RNA) where: Base-Base interactions energy: -1386.580 where: short stacking energy: -594.828 Base-Backbone interact. energy: 0.569 local terms energy: -653.761721 where: bonds (distance) C4'-P energy: -103.527 bonds (distance) P-C4' energy: -137.918 flat angles C4'-P-C4' energy: -143.669 flat angles P-C4'-P energy: -89.294 tors. eta vs tors. theta energy: -179.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1914.173637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.173637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.173637 (E_RNA) where: Base-Base interactions energy: -1301.694 where: short stacking energy: -565.684 Base-Backbone interact. energy: -2.077 local terms energy: -610.402315 where: bonds (distance) C4'-P energy: -111.424 bonds (distance) P-C4' energy: -113.415 flat angles C4'-P-C4' energy: -143.036 flat angles P-C4'-P energy: -82.122 tors. eta vs tors. theta energy: -160.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1535.765094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.765094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.765094 (E_RNA) where: Base-Base interactions energy: -1006.742 where: short stacking energy: -420.746 Base-Backbone interact. energy: -0.930 local terms energy: -528.093654 where: bonds (distance) C4'-P energy: -118.269 bonds (distance) P-C4' energy: -124.323 flat angles C4'-P-C4' energy: -109.364 flat angles P-C4'-P energy: -89.307 tors. eta vs tors. theta energy: -86.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1317.485781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.485781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.485781 (E_RNA) where: Base-Base interactions energy: -826.482 where: short stacking energy: -374.966 Base-Backbone interact. energy: -0.099 local terms energy: -490.904530 where: bonds (distance) C4'-P energy: -126.817 bonds (distance) P-C4' energy: -119.506 flat angles C4'-P-C4' energy: -105.515 flat angles P-C4'-P energy: -63.337 tors. eta vs tors. theta energy: -75.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -722.952923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.952923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.952923 (E_RNA) where: Base-Base interactions energy: -352.665 where: short stacking energy: -202.517 Base-Backbone interact. energy: 4.553 local terms energy: -374.840972 where: bonds (distance) C4'-P energy: -100.946 bonds (distance) P-C4' energy: -115.311 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -54.336 tors. eta vs tors. theta energy: 1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2686.546347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.546347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.546347 (E_RNA) where: Base-Base interactions energy: -1918.001 where: short stacking energy: -800.465 Base-Backbone interact. energy: 0.766 local terms energy: -769.310839 where: bonds (distance) C4'-P energy: -133.003 bonds (distance) P-C4' energy: -137.606 flat angles C4'-P-C4' energy: -158.372 flat angles P-C4'-P energy: -97.384 tors. eta vs tors. theta energy: -242.945 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: 206 Temperature: 0.950000 Total energy: -2610.813092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.813092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.813092 (E_RNA) where: Base-Base interactions energy: -1858.525 where: short stacking energy: -736.941 Base-Backbone interact. energy: -0.524 local terms energy: -751.764129 where: bonds (distance) C4'-P energy: -131.171 bonds (distance) P-C4' energy: -113.076 flat angles C4'-P-C4' energy: -165.100 flat angles P-C4'-P energy: -112.125 tors. eta vs tors. theta energy: -230.292 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: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2564.374316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.374316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.374316 (E_RNA) where: Base-Base interactions energy: -1812.603 where: short stacking energy: -745.518 Base-Backbone interact. energy: 2.553 local terms energy: -754.323674 where: bonds (distance) C4'-P energy: -129.882 bonds (distance) P-C4' energy: -143.162 flat angles C4'-P-C4' energy: -148.256 flat angles P-C4'-P energy: -103.848 tors. eta vs tors. theta energy: -229.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2377.845217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.845217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.845217 (E_RNA) where: Base-Base interactions energy: -1662.605 where: short stacking energy: -706.179 Base-Backbone interact. energy: -1.558 local terms energy: -713.682029 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -122.256 flat angles C4'-P-C4' energy: -155.992 flat angles P-C4'-P energy: -103.842 tors. eta vs tors. theta energy: -212.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2391.117868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.117868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.117868 (E_RNA) where: Base-Base interactions energy: -1676.205 where: short stacking energy: -674.535 Base-Backbone interact. energy: 1.288 local terms energy: -716.201478 where: bonds (distance) C4'-P energy: -118.782 bonds (distance) P-C4' energy: -116.053 flat angles C4'-P-C4' energy: -153.877 flat angles P-C4'-P energy: -100.892 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: 6, replica: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2071.425060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.425060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.425060 (E_RNA) where: Base-Base interactions energy: -1418.159 where: short stacking energy: -624.087 Base-Backbone interact. energy: -3.909 local terms energy: -649.356884 where: bonds (distance) C4'-P energy: -106.373 bonds (distance) P-C4' energy: -108.629 flat angles C4'-P-C4' energy: -144.053 flat angles P-C4'-P energy: -101.913 tors. eta vs tors. theta energy: -188.389 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: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1937.745489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.745489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.745489 (E_RNA) where: Base-Base interactions energy: -1334.744 where: short stacking energy: -543.689 Base-Backbone interact. energy: -1.221 local terms energy: -601.779706 where: bonds (distance) C4'-P energy: -109.504 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -137.452 flat angles P-C4'-P energy: -97.366 tors. eta vs tors. theta energy: -151.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1516.476681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.476681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.476681 (E_RNA) where: Base-Base interactions energy: -1000.217 where: short stacking energy: -408.297 Base-Backbone interact. energy: -2.771 local terms energy: -513.488756 where: bonds (distance) C4'-P energy: -96.462 bonds (distance) P-C4' energy: -136.159 flat angles C4'-P-C4' energy: -110.614 flat angles P-C4'-P energy: -65.905 tors. eta vs tors. theta energy: -104.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1385.022305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.022305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.022305 (E_RNA) where: Base-Base interactions energy: -891.083 where: short stacking energy: -400.579 Base-Backbone interact. energy: -0.865 local terms energy: -493.073832 where: bonds (distance) C4'-P energy: -110.039 bonds (distance) P-C4' energy: -121.364 flat angles C4'-P-C4' energy: -91.627 flat angles P-C4'-P energy: -82.017 tors. eta vs tors. theta energy: -88.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -700.711800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.711800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.711800 (E_RNA) where: Base-Base interactions energy: -345.060 where: short stacking energy: -184.981 Base-Backbone interact. energy: -2.344 local terms energy: -353.307764 where: bonds (distance) C4'-P energy: -114.886 bonds (distance) P-C4' energy: -114.725 flat angles C4'-P-C4' energy: -78.081 flat angles P-C4'-P energy: -50.420 tors. eta vs tors. theta energy: 4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2675.759404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.759404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.759404 (E_RNA) where: Base-Base interactions energy: -1893.674 where: short stacking energy: -778.287 Base-Backbone interact. energy: -0.874 local terms energy: -781.211691 where: bonds (distance) C4'-P energy: -135.830 bonds (distance) P-C4' energy: -132.592 flat angles C4'-P-C4' energy: -163.712 flat angles P-C4'-P energy: -111.044 tors. eta vs tors. theta energy: -238.034 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: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2610.624321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.624321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.624321 (E_RNA) where: Base-Base interactions energy: -1835.437 where: short stacking energy: -771.346 Base-Backbone interact. energy: 0.511 local terms energy: -775.698372 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -133.763 flat angles C4'-P-C4' energy: -147.191 flat angles P-C4'-P energy: -106.281 tors. eta vs tors. theta energy: -243.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2551.987742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.987742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.987742 (E_RNA) where: Base-Base interactions energy: -1810.295 where: short stacking energy: -741.013 Base-Backbone interact. energy: -3.078 local terms energy: -738.614677 where: bonds (distance) C4'-P energy: -110.172 bonds (distance) P-C4' energy: -130.562 flat angles C4'-P-C4' energy: -156.171 flat angles P-C4'-P energy: -110.720 tors. eta vs tors. theta energy: -230.989 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: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2423.546648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.546648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.546648 (E_RNA) where: Base-Base interactions energy: -1718.350 where: short stacking energy: -684.952 Base-Backbone interact. energy: -1.920 local terms energy: -703.277091 where: bonds (distance) C4'-P energy: -132.739 bonds (distance) P-C4' energy: -119.285 flat angles C4'-P-C4' energy: -144.449 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -213.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2352.107436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.107436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.107436 (E_RNA) where: Base-Base interactions energy: -1669.400 where: short stacking energy: -698.025 Base-Backbone interact. energy: -0.685 local terms energy: -682.022713 where: bonds (distance) C4'-P energy: -96.477 bonds (distance) P-C4' energy: -121.899 flat angles C4'-P-C4' energy: -157.396 flat angles P-C4'-P energy: -100.191 tors. eta vs tors. theta energy: -206.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2089.801621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.801621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.801621 (E_RNA) where: Base-Base interactions energy: -1436.517 where: short stacking energy: -621.401 Base-Backbone interact. energy: -0.837 local terms energy: -652.446960 where: bonds (distance) C4'-P energy: -139.281 bonds (distance) P-C4' energy: -110.952 flat angles C4'-P-C4' energy: -127.391 flat angles P-C4'-P energy: -101.865 tors. eta vs tors. theta energy: -172.958 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: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1984.554011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.554011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.554011 (E_RNA) where: Base-Base interactions energy: -1373.689 where: short stacking energy: -578.053 Base-Backbone interact. energy: -3.134 local terms energy: -607.730979 where: bonds (distance) C4'-P energy: -115.202 bonds (distance) P-C4' energy: -98.029 flat angles C4'-P-C4' energy: -140.955 flat angles P-C4'-P energy: -86.299 tors. eta vs tors. theta energy: -167.246 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: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1558.660071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.660071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.660071 (E_RNA) where: Base-Base interactions energy: -1036.927 where: short stacking energy: -408.073 Base-Backbone interact. energy: -1.087 local terms energy: -520.646236 where: bonds (distance) C4'-P energy: -114.361 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -115.968 flat angles P-C4'-P energy: -73.418 tors. eta vs tors. theta energy: -106.915 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: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1316.673456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.673456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.673456 (E_RNA) where: Base-Base interactions energy: -861.142 where: short stacking energy: -380.542 Base-Backbone interact. energy: 0.508 local terms energy: -456.040310 where: bonds (distance) C4'-P energy: -91.018 bonds (distance) P-C4' energy: -108.566 flat angles C4'-P-C4' energy: -120.136 flat angles P-C4'-P energy: -62.643 tors. eta vs tors. theta energy: -73.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -762.992870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.992870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.992870 (E_RNA) where: Base-Base interactions energy: -408.321 where: short stacking energy: -245.634 Base-Backbone interact. energy: 6.844 local terms energy: -361.515094 where: bonds (distance) C4'-P energy: -102.051 bonds (distance) P-C4' energy: -103.696 flat angles C4'-P-C4' energy: -92.756 flat angles P-C4'-P energy: -44.130 tors. eta vs tors. theta energy: -18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2664.463965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.463965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.463965 (E_RNA) where: Base-Base interactions energy: -1901.714 where: short stacking energy: -798.268 Base-Backbone interact. energy: 0.266 local terms energy: -763.015691 where: bonds (distance) C4'-P energy: -121.123 bonds (distance) P-C4' energy: -138.530 flat angles C4'-P-C4' energy: -158.216 flat angles P-C4'-P energy: -98.278 tors. eta vs tors. theta energy: -246.869 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: 208 Temperature: 0.950000 Total energy: -2608.006261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.006261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.006261 (E_RNA) where: Base-Base interactions energy: -1851.315 where: short stacking energy: -742.926 Base-Backbone interact. energy: -1.727 local terms energy: -754.964460 where: bonds (distance) C4'-P energy: -135.863 bonds (distance) P-C4' energy: -119.716 flat angles C4'-P-C4' energy: -151.796 flat angles P-C4'-P energy: -111.513 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: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2573.205593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.205593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.205593 (E_RNA) where: Base-Base interactions energy: -1822.952 where: short stacking energy: -741.875 Base-Backbone interact. energy: -2.312 local terms energy: -747.942244 where: bonds (distance) C4'-P energy: -121.432 bonds (distance) P-C4' energy: -127.169 flat angles C4'-P-C4' energy: -160.510 flat angles P-C4'-P energy: -102.983 tors. eta vs tors. theta energy: -235.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2425.031422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.031422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.031422 (E_RNA) where: Base-Base interactions energy: -1704.101 where: short stacking energy: -689.437 Base-Backbone interact. energy: -2.983 local terms energy: -717.946892 where: bonds (distance) C4'-P energy: -135.569 bonds (distance) P-C4' energy: -123.575 flat angles C4'-P-C4' energy: -139.309 flat angles P-C4'-P energy: -94.630 tors. eta vs tors. theta energy: -224.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2337.041101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.041101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.041101 (E_RNA) where: Base-Base interactions energy: -1625.337 where: short stacking energy: -669.395 Base-Backbone interact. energy: 0.255 local terms energy: -711.958713 where: bonds (distance) C4'-P energy: -109.828 bonds (distance) P-C4' energy: -131.750 flat angles C4'-P-C4' energy: -148.745 flat angles P-C4'-P energy: -109.219 tors. eta vs tors. theta energy: -212.418 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: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2021.792931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.792931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.792931 (E_RNA) where: Base-Base interactions energy: -1420.094 where: short stacking energy: -599.015 Base-Backbone interact. energy: 2.771 local terms energy: -604.470142 where: bonds (distance) C4'-P energy: -107.437 bonds (distance) P-C4' energy: -120.083 flat angles C4'-P-C4' energy: -122.112 flat angles P-C4'-P energy: -85.619 tors. eta vs tors. theta energy: -169.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1945.946087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.946087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.946087 (E_RNA) where: Base-Base interactions energy: -1340.053 where: short stacking energy: -567.964 Base-Backbone interact. energy: -2.382 local terms energy: -603.511398 where: bonds (distance) C4'-P energy: -134.981 bonds (distance) P-C4' energy: -120.064 flat angles C4'-P-C4' energy: -126.045 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: -146.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1623.331968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.331968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.331968 (E_RNA) where: Base-Base interactions energy: -1070.501 where: short stacking energy: -473.998 Base-Backbone interact. energy: 5.575 local terms energy: -558.405013 where: bonds (distance) C4'-P energy: -102.955 bonds (distance) P-C4' energy: -125.158 flat angles C4'-P-C4' energy: -134.845 flat angles P-C4'-P energy: -85.712 tors. eta vs tors. theta energy: -109.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1333.190863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.190863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.190863 (E_RNA) where: Base-Base interactions energy: -861.579 where: short stacking energy: -415.788 Base-Backbone interact. energy: -1.581 local terms energy: -470.030758 where: bonds (distance) C4'-P energy: -96.409 bonds (distance) P-C4' energy: -107.681 flat angles C4'-P-C4' energy: -115.200 flat angles P-C4'-P energy: -74.089 tors. eta vs tors. theta energy: -76.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -775.648769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.648769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.648769 (E_RNA) where: Base-Base interactions energy: -415.585 where: short stacking energy: -202.897 Base-Backbone interact. energy: 0.982 local terms energy: -361.045288 where: bonds (distance) C4'-P energy: -112.029 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -77.546 flat angles P-C4'-P energy: -48.836 tors. eta vs tors. theta energy: -11.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2653.491828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.491828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.491828 (E_RNA) where: Base-Base interactions energy: -1888.565 where: short stacking energy: -785.837 Base-Backbone interact. energy: 0.793 local terms energy: -765.719882 where: bonds (distance) C4'-P energy: -129.741 bonds (distance) P-C4' energy: -130.196 flat angles C4'-P-C4' energy: -160.751 flat angles P-C4'-P energy: -102.048 tors. eta vs tors. theta energy: -242.983 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: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2624.103279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.103279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.103279 (E_RNA) where: Base-Base interactions energy: -1835.537 where: short stacking energy: -767.395 Base-Backbone interact. energy: -1.016 local terms energy: -787.549906 where: bonds (distance) C4'-P energy: -127.187 bonds (distance) P-C4' energy: -154.306 flat angles C4'-P-C4' energy: -165.219 flat angles P-C4'-P energy: -110.983 tors. eta vs tors. theta energy: -229.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2541.088537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.088537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.088537 (E_RNA) where: Base-Base interactions energy: -1813.407 where: short stacking energy: -768.488 Base-Backbone interact. energy: -3.313 local terms energy: -724.368140 where: bonds (distance) C4'-P energy: -120.903 bonds (distance) P-C4' energy: -136.034 flat angles C4'-P-C4' energy: -139.669 flat angles P-C4'-P energy: -97.072 tors. eta vs tors. theta energy: -230.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2438.284660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.284660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.284660 (E_RNA) where: Base-Base interactions energy: -1718.062 where: short stacking energy: -707.901 Base-Backbone interact. energy: -0.113 local terms energy: -720.109097 where: bonds (distance) C4'-P energy: -121.560 bonds (distance) P-C4' energy: -132.334 flat angles C4'-P-C4' energy: -149.356 flat angles P-C4'-P energy: -89.644 tors. eta vs tors. theta energy: -227.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2312.878285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.878285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.878285 (E_RNA) where: Base-Base interactions energy: -1614.527 where: short stacking energy: -684.524 Base-Backbone interact. energy: -2.505 local terms energy: -695.847100 where: bonds (distance) C4'-P energy: -106.871 bonds (distance) P-C4' energy: -136.722 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -93.177 tors. eta vs tors. theta energy: -212.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2028.907756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.907756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.907756 (E_RNA) where: Base-Base interactions energy: -1420.733 where: short stacking energy: -596.845 Base-Backbone interact. energy: -3.677 local terms energy: -604.497177 where: bonds (distance) C4'-P energy: -116.067 bonds (distance) P-C4' energy: -109.028 flat angles C4'-P-C4' energy: -126.824 flat angles P-C4'-P energy: -88.100 tors. eta vs tors. theta energy: -164.478 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: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1945.388646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.388646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.388646 (E_RNA) where: Base-Base interactions energy: -1352.545 where: short stacking energy: -556.135 Base-Backbone interact. energy: 0.729 local terms energy: -593.572889 where: bonds (distance) C4'-P energy: -108.656 bonds (distance) P-C4' energy: -118.870 flat angles C4'-P-C4' energy: -127.830 flat angles P-C4'-P energy: -84.824 tors. eta vs tors. theta energy: -153.394 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: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1633.930200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.930200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.930200 (E_RNA) where: Base-Base interactions energy: -1122.970 where: short stacking energy: -486.042 Base-Backbone interact. energy: 1.144 local terms energy: -512.103769 where: bonds (distance) C4'-P energy: -87.009 bonds (distance) P-C4' energy: -118.969 flat angles C4'-P-C4' energy: -122.121 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -117.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1387.289616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.289616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.289616 (E_RNA) where: Base-Base interactions energy: -892.450 where: short stacking energy: -380.506 Base-Backbone interact. energy: -2.387 local terms energy: -492.453123 where: bonds (distance) C4'-P energy: -118.574 bonds (distance) P-C4' energy: -110.167 flat angles C4'-P-C4' energy: -112.737 flat angles P-C4'-P energy: -77.198 tors. eta vs tors. theta energy: -73.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -814.608491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.608491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.608491 (E_RNA) where: Base-Base interactions energy: -442.962 where: short stacking energy: -242.949 Base-Backbone interact. energy: 2.979 local terms energy: -374.625801 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -108.454 flat angles C4'-P-C4' energy: -101.044 flat angles P-C4'-P energy: -62.367 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2666.942596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.942596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.942596 (E_RNA) where: Base-Base interactions energy: -1870.911 where: short stacking energy: -802.757 Base-Backbone interact. energy: -0.425 local terms energy: -795.606232 where: bonds (distance) C4'-P energy: -130.946 bonds (distance) P-C4' energy: -146.737 flat angles C4'-P-C4' energy: -166.627 flat angles P-C4'-P energy: -101.937 tors. eta vs tors. theta energy: -249.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2622.938839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.938839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.938839 (E_RNA) where: Base-Base interactions energy: -1842.387 where: short stacking energy: -749.685 Base-Backbone interact. energy: -0.259 local terms energy: -780.292394 where: bonds (distance) C4'-P energy: -120.431 bonds (distance) P-C4' energy: -145.887 flat angles C4'-P-C4' energy: -154.632 flat angles P-C4'-P energy: -117.048 tors. eta vs tors. theta energy: -242.294 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: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2553.889591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.889591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.889591 (E_RNA) where: Base-Base interactions energy: -1826.052 where: short stacking energy: -761.264 Base-Backbone interact. energy: -0.546 local terms energy: -727.291185 where: bonds (distance) C4'-P energy: -108.435 bonds (distance) P-C4' energy: -133.795 flat angles C4'-P-C4' energy: -153.014 flat angles P-C4'-P energy: -103.035 tors. eta vs tors. theta energy: -229.013 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: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2442.943327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.943327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.943327 (E_RNA) where: Base-Base interactions energy: -1751.634 where: short stacking energy: -745.785 Base-Backbone interact. energy: -0.552 local terms energy: -690.756370 where: bonds (distance) C4'-P energy: -93.588 bonds (distance) P-C4' energy: -119.384 flat angles C4'-P-C4' energy: -146.482 flat angles P-C4'-P energy: -103.260 tors. eta vs tors. theta energy: -228.043 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: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2296.727026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.727026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.727026 (E_RNA) where: Base-Base interactions energy: -1622.767 where: short stacking energy: -692.372 Base-Backbone interact. energy: -0.845 local terms energy: -673.115291 where: bonds (distance) C4'-P energy: -119.215 bonds (distance) P-C4' energy: -102.946 flat angles C4'-P-C4' energy: -135.904 flat angles P-C4'-P energy: -101.665 tors. eta vs tors. theta energy: -213.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2038.533550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.533550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.533550 (E_RNA) where: Base-Base interactions energy: -1397.255 where: short stacking energy: -610.914 Base-Backbone interact. energy: 1.080 local terms energy: -642.357907 where: bonds (distance) C4'-P energy: -114.918 bonds (distance) P-C4' energy: -128.113 flat angles C4'-P-C4' energy: -125.711 flat angles P-C4'-P energy: -103.813 tors. eta vs tors. theta energy: -169.803 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: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1940.798216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.798216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.798216 (E_RNA) where: Base-Base interactions energy: -1320.777 where: short stacking energy: -564.512 Base-Backbone interact. energy: 2.384 local terms energy: -622.405518 where: bonds (distance) C4'-P energy: -109.510 bonds (distance) P-C4' energy: -125.676 flat angles C4'-P-C4' energy: -131.321 flat angles P-C4'-P energy: -93.776 tors. eta vs tors. theta energy: -162.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1708.491057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.491057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.491057 (E_RNA) where: Base-Base interactions energy: -1173.450 where: short stacking energy: -484.730 Base-Backbone interact. energy: -1.731 local terms energy: -533.310896 where: bonds (distance) C4'-P energy: -111.318 bonds (distance) P-C4' energy: -93.035 flat angles C4'-P-C4' energy: -129.529 flat angles P-C4'-P energy: -79.291 tors. eta vs tors. theta energy: -120.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1348.985504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.985504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.985504 (E_RNA) where: Base-Base interactions energy: -873.750 where: short stacking energy: -349.370 Base-Backbone interact. energy: -0.449 local terms energy: -474.786709 where: bonds (distance) C4'-P energy: -113.460 bonds (distance) P-C4' energy: -119.574 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -60.839 tors. eta vs tors. theta energy: -69.312 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: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -831.030228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.030228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.030228 (E_RNA) where: Base-Base interactions energy: -438.102 where: short stacking energy: -225.820 Base-Backbone interact. energy: -1.219 local terms energy: -391.709199 where: bonds (distance) C4'-P energy: -102.136 bonds (distance) P-C4' energy: -117.824 flat angles C4'-P-C4' energy: -112.839 flat angles P-C4'-P energy: -71.269 tors. eta vs tors. theta energy: 12.358 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: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2655.087490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.087490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.087490 (E_RNA) where: Base-Base interactions energy: -1879.010 where: short stacking energy: -772.451 Base-Backbone interact. energy: 3.691 local terms energy: -779.768522 where: bonds (distance) C4'-P energy: -132.160 bonds (distance) P-C4' energy: -133.403 flat angles C4'-P-C4' energy: -162.973 flat angles P-C4'-P energy: -112.027 tors. eta vs tors. theta energy: -239.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2619.137958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.137958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.137958 (E_RNA) where: Base-Base interactions energy: -1845.114 where: short stacking energy: -761.106 Base-Backbone interact. energy: 0.356 local terms energy: -774.379721 where: bonds (distance) C4'-P energy: -128.916 bonds (distance) P-C4' energy: -133.498 flat angles C4'-P-C4' energy: -161.964 flat angles P-C4'-P energy: -109.084 tors. eta vs tors. theta energy: -240.917 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: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2558.178187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.178187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.178187 (E_RNA) where: Base-Base interactions energy: -1801.824 where: short stacking energy: -742.821 Base-Backbone interact. energy: -1.243 local terms energy: -755.110753 where: bonds (distance) C4'-P energy: -128.595 bonds (distance) P-C4' energy: -120.896 flat angles C4'-P-C4' energy: -156.164 flat angles P-C4'-P energy: -112.895 tors. eta vs tors. theta energy: -236.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2425.639902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.639902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.639902 (E_RNA) where: Base-Base interactions energy: -1739.083 where: short stacking energy: -737.276 Base-Backbone interact. energy: -0.499 local terms energy: -686.057679 where: bonds (distance) C4'-P energy: -116.907 bonds (distance) P-C4' energy: -117.476 flat angles C4'-P-C4' energy: -129.362 flat angles P-C4'-P energy: -97.256 tors. eta vs tors. theta energy: -225.056 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: 211 Temperature: 1.100000 Total energy: -2300.727010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.727010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.727010 (E_RNA) where: Base-Base interactions energy: -1632.380 where: short stacking energy: -663.782 Base-Backbone interact. energy: -1.824 local terms energy: -666.522955 where: bonds (distance) C4'-P energy: -109.587 bonds (distance) P-C4' energy: -128.699 flat angles C4'-P-C4' energy: -129.907 flat angles P-C4'-P energy: -91.258 tors. eta vs tors. theta energy: -207.072 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: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2068.275111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.275111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.275111 (E_RNA) where: Base-Base interactions energy: -1457.105 where: short stacking energy: -631.068 Base-Backbone interact. energy: -2.356 local terms energy: -608.814507 where: bonds (distance) C4'-P energy: -91.651 bonds (distance) P-C4' energy: -119.753 flat angles C4'-P-C4' energy: -131.548 flat angles P-C4'-P energy: -86.960 tors. eta vs tors. theta energy: -178.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1972.138505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.138505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.138505 (E_RNA) where: Base-Base interactions energy: -1362.623 where: short stacking energy: -560.813 Base-Backbone interact. energy: -1.624 local terms energy: -607.891645 where: bonds (distance) C4'-P energy: -135.937 bonds (distance) P-C4' energy: -101.676 flat angles C4'-P-C4' energy: -132.642 flat angles P-C4'-P energy: -77.288 tors. eta vs tors. theta energy: -160.349 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: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1683.211227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.211227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.211227 (E_RNA) where: Base-Base interactions energy: -1170.232 where: short stacking energy: -461.587 Base-Backbone interact. energy: 0.733 local terms energy: -513.713043 where: bonds (distance) C4'-P energy: -105.110 bonds (distance) P-C4' energy: -121.381 flat angles C4'-P-C4' energy: -110.597 flat angles P-C4'-P energy: -77.623 tors. eta vs tors. theta energy: -99.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1298.975455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.975455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.975455 (E_RNA) where: Base-Base interactions energy: -855.096 where: short stacking energy: -386.754 Base-Backbone interact. energy: -0.467 local terms energy: -443.412437 where: bonds (distance) C4'-P energy: -81.647 bonds (distance) P-C4' energy: -112.348 flat angles C4'-P-C4' energy: -111.698 flat angles P-C4'-P energy: -62.560 tors. eta vs tors. theta energy: -75.160 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: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -835.085784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.085784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.085784 (E_RNA) where: Base-Base interactions energy: -448.165 where: short stacking energy: -239.006 Base-Backbone interact. energy: -3.007 local terms energy: -383.912898 where: bonds (distance) C4'-P energy: -109.327 bonds (distance) P-C4' energy: -112.034 flat angles C4'-P-C4' energy: -90.886 flat angles P-C4'-P energy: -57.463 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2684.660307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.660307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.660307 (E_RNA) where: Base-Base interactions energy: -1912.687 where: short stacking energy: -785.540 Base-Backbone interact. energy: 2.215 local terms energy: -774.188836 where: bonds (distance) C4'-P energy: -127.653 bonds (distance) P-C4' energy: -132.437 flat angles C4'-P-C4' energy: -165.651 flat angles P-C4'-P energy: -115.396 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: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2621.759545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.759545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.759545 (E_RNA) where: Base-Base interactions energy: -1859.871 where: short stacking energy: -765.115 Base-Backbone interact. energy: -0.575 local terms energy: -761.313187 where: bonds (distance) C4'-P energy: -128.401 bonds (distance) P-C4' energy: -122.900 flat angles C4'-P-C4' energy: -165.157 flat angles P-C4'-P energy: -108.557 tors. eta vs tors. theta energy: -236.298 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: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2569.447549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.447549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.447549 (E_RNA) where: Base-Base interactions energy: -1838.324 where: short stacking energy: -765.104 Base-Backbone interact. energy: -1.741 local terms energy: -729.381878 where: bonds (distance) C4'-P energy: -98.972 bonds (distance) P-C4' energy: -123.015 flat angles C4'-P-C4' energy: -160.224 flat angles P-C4'-P energy: -107.339 tors. eta vs tors. theta energy: -239.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2434.667118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.667118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.667118 (E_RNA) where: Base-Base interactions energy: -1730.334 where: short stacking energy: -711.299 Base-Backbone interact. energy: -2.513 local terms energy: -701.819860 where: bonds (distance) C4'-P energy: -123.192 bonds (distance) P-C4' energy: -104.970 flat angles C4'-P-C4' energy: -146.937 flat angles P-C4'-P energy: -108.019 tors. eta vs tors. theta energy: -218.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2279.991887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.991887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.991887 (E_RNA) where: Base-Base interactions energy: -1603.997 where: short stacking energy: -680.935 Base-Backbone interact. energy: -0.898 local terms energy: -675.097092 where: bonds (distance) C4'-P energy: -125.756 bonds (distance) P-C4' energy: -120.692 flat angles C4'-P-C4' energy: -136.247 flat angles P-C4'-P energy: -84.249 tors. eta vs tors. theta energy: -208.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1999.652708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.652708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.652708 (E_RNA) where: Base-Base interactions energy: -1386.203 where: short stacking energy: -587.101 Base-Backbone interact. energy: -3.219 local terms energy: -610.230472 where: bonds (distance) C4'-P energy: -108.550 bonds (distance) P-C4' energy: -103.432 flat angles C4'-P-C4' energy: -140.330 flat angles P-C4'-P energy: -90.431 tors. eta vs tors. theta energy: -167.488 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: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1921.778823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.778823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.778823 (E_RNA) where: Base-Base interactions energy: -1327.526 where: short stacking energy: -559.465 Base-Backbone interact. energy: -0.924 local terms energy: -593.328194 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -113.563 flat angles C4'-P-C4' energy: -124.444 flat angles P-C4'-P energy: -84.468 tors. eta vs tors. theta energy: -167.457 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: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1696.615693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.615693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.615693 (E_RNA) where: Base-Base interactions energy: -1153.108 where: short stacking energy: -486.774 Base-Backbone interact. energy: 0.943 local terms energy: -544.450083 where: bonds (distance) C4'-P energy: -98.687 bonds (distance) P-C4' energy: -111.938 flat angles C4'-P-C4' energy: -137.670 flat angles P-C4'-P energy: -72.779 tors. eta vs tors. theta energy: -123.376 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: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1317.700586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.700586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.700586 (E_RNA) where: Base-Base interactions energy: -855.392 where: short stacking energy: -376.506 Base-Backbone interact. energy: 2.359 local terms energy: -464.667901 where: bonds (distance) C4'-P energy: -101.346 bonds (distance) P-C4' energy: -109.972 flat angles C4'-P-C4' energy: -109.978 flat angles P-C4'-P energy: -73.728 tors. eta vs tors. theta energy: -69.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -854.211124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.211124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.211124 (E_RNA) where: Base-Base interactions energy: -505.634 where: short stacking energy: -227.399 Base-Backbone interact. energy: -1.706 local terms energy: -346.870557 where: bonds (distance) C4'-P energy: -96.262 bonds (distance) P-C4' energy: -100.810 flat angles C4'-P-C4' energy: -100.788 flat angles P-C4'-P energy: -58.156 tors. eta vs tors. theta energy: 9.145 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: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2679.313851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.313851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.313851 (E_RNA) where: Base-Base interactions energy: -1892.546 where: short stacking energy: -785.769 Base-Backbone interact. energy: -1.889 local terms energy: -784.879106 where: bonds (distance) C4'-P energy: -127.959 bonds (distance) P-C4' energy: -137.667 flat angles C4'-P-C4' energy: -170.658 flat angles P-C4'-P energy: -110.043 tors. eta vs tors. theta energy: -238.552 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: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2597.081272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.081272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.081272 (E_RNA) where: Base-Base interactions energy: -1820.161 where: short stacking energy: -770.720 Base-Backbone interact. energy: -1.304 local terms energy: -775.616306 where: bonds (distance) C4'-P energy: -133.022 bonds (distance) P-C4' energy: -144.232 flat angles C4'-P-C4' energy: -158.071 flat angles P-C4'-P energy: -106.096 tors. eta vs tors. theta energy: -234.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2549.418540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.418540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.418540 (E_RNA) where: Base-Base interactions energy: -1824.588 where: short stacking energy: -728.691 Base-Backbone interact. energy: -1.635 local terms energy: -723.195851 where: bonds (distance) C4'-P energy: -103.954 bonds (distance) P-C4' energy: -132.737 flat angles C4'-P-C4' energy: -147.903 flat angles P-C4'-P energy: -105.806 tors. eta vs tors. theta energy: -232.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2437.345283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.345283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.345283 (E_RNA) where: Base-Base interactions energy: -1713.753 where: short stacking energy: -709.088 Base-Backbone interact. energy: -0.737 local terms energy: -722.855684 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -134.933 flat angles C4'-P-C4' energy: -149.355 flat angles P-C4'-P energy: -104.530 tors. eta vs tors. theta energy: -225.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2332.490281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.490281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.490281 (E_RNA) where: Base-Base interactions energy: -1594.870 where: short stacking energy: -684.548 Base-Backbone interact. energy: -2.566 local terms energy: -735.055045 where: bonds (distance) C4'-P energy: -113.166 bonds (distance) P-C4' energy: -141.561 flat angles C4'-P-C4' energy: -158.694 flat angles P-C4'-P energy: -110.210 tors. eta vs tors. theta energy: -211.424 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: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2109.648008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.648008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.648008 (E_RNA) where: Base-Base interactions energy: -1502.705 where: short stacking energy: -617.228 Base-Backbone interact. energy: -3.046 local terms energy: -603.897855 where: bonds (distance) C4'-P energy: -96.098 bonds (distance) P-C4' energy: -110.987 flat angles C4'-P-C4' energy: -136.501 flat angles P-C4'-P energy: -94.601 tors. eta vs tors. theta energy: -165.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1966.350622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.350622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.350622 (E_RNA) where: Base-Base interactions energy: -1373.487 where: short stacking energy: -591.309 Base-Backbone interact. energy: -0.117 local terms energy: -592.746288 where: bonds (distance) C4'-P energy: -112.892 bonds (distance) P-C4' energy: -115.010 flat angles C4'-P-C4' energy: -117.586 flat angles P-C4'-P energy: -82.722 tors. eta vs tors. theta energy: -164.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1678.974882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.974882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.974882 (E_RNA) where: Base-Base interactions energy: -1135.684 where: short stacking energy: -478.069 Base-Backbone interact. energy: -2.504 local terms energy: -540.786510 where: bonds (distance) C4'-P energy: -103.981 bonds (distance) P-C4' energy: -104.096 flat angles C4'-P-C4' energy: -128.019 flat angles P-C4'-P energy: -75.881 tors. eta vs tors. theta energy: -128.810 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: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1365.653188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.653188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.653188 (E_RNA) where: Base-Base interactions energy: -880.090 where: short stacking energy: -389.689 Base-Backbone interact. energy: -1.635 local terms energy: -483.927865 where: bonds (distance) C4'-P energy: -105.175 bonds (distance) P-C4' energy: -124.739 flat angles C4'-P-C4' energy: -113.720 flat angles P-C4'-P energy: -67.913 tors. eta vs tors. theta energy: -72.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -875.168109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.168109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.168109 (E_RNA) where: Base-Base interactions energy: -484.816 where: short stacking energy: -264.925 Base-Backbone interact. energy: 2.996 local terms energy: -393.348198 where: bonds (distance) C4'-P energy: -101.423 bonds (distance) P-C4' energy: -117.727 flat angles C4'-P-C4' energy: -86.957 flat angles P-C4'-P energy: -58.672 tors. eta vs tors. theta energy: -28.570 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: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2659.328786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.328786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.328786 (E_RNA) where: Base-Base interactions energy: -1873.561 where: short stacking energy: -782.236 Base-Backbone interact. energy: -0.893 local terms energy: -784.874119 where: bonds (distance) C4'-P energy: -143.713 bonds (distance) P-C4' energy: -134.356 flat angles C4'-P-C4' energy: -160.389 flat angles P-C4'-P energy: -106.865 tors. eta vs tors. theta energy: -239.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2618.939229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.939229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.939229 (E_RNA) where: Base-Base interactions energy: -1869.838 where: short stacking energy: -789.626 Base-Backbone interact. energy: -2.431 local terms energy: -746.670078 where: bonds (distance) C4'-P energy: -131.620 bonds (distance) P-C4' energy: -124.141 flat angles C4'-P-C4' energy: -154.255 flat angles P-C4'-P energy: -105.692 tors. eta vs tors. theta energy: -230.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2545.162419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.162419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.162419 (E_RNA) where: Base-Base interactions energy: -1812.477 where: short stacking energy: -735.927 Base-Backbone interact. energy: -0.004 local terms energy: -732.681548 where: bonds (distance) C4'-P energy: -118.459 bonds (distance) P-C4' energy: -114.370 flat angles C4'-P-C4' energy: -153.854 flat angles P-C4'-P energy: -119.274 tors. eta vs tors. theta energy: -226.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2454.679780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.679780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.679780 (E_RNA) where: Base-Base interactions energy: -1719.433 where: short stacking energy: -709.266 Base-Backbone interact. energy: -0.026 local terms energy: -735.220400 where: bonds (distance) C4'-P energy: -126.302 bonds (distance) P-C4' energy: -129.497 flat angles C4'-P-C4' energy: -143.680 flat angles P-C4'-P energy: -111.661 tors. eta vs tors. theta energy: -224.080 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: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2320.706776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.706776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.706776 (E_RNA) where: Base-Base interactions energy: -1638.086 where: short stacking energy: -700.725 Base-Backbone interact. energy: -1.483 local terms energy: -681.138120 where: bonds (distance) C4'-P energy: -122.119 bonds (distance) P-C4' energy: -111.062 flat angles C4'-P-C4' energy: -139.734 flat angles P-C4'-P energy: -88.224 tors. eta vs tors. theta energy: -219.999 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: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2051.868473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.868473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.868473 (E_RNA) where: Base-Base interactions energy: -1436.445 where: short stacking energy: -610.702 Base-Backbone interact. energy: -0.782 local terms energy: -614.640972 where: bonds (distance) C4'-P energy: -112.463 bonds (distance) P-C4' energy: -112.761 flat angles C4'-P-C4' energy: -140.537 flat angles P-C4'-P energy: -85.026 tors. eta vs tors. theta energy: -163.854 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: 214 Temperature: 1.200000 Total energy: -2001.560815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.560815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.560815 (E_RNA) where: Base-Base interactions energy: -1383.537 where: short stacking energy: -592.858 Base-Backbone interact. energy: -2.462 local terms energy: -615.561897 where: bonds (distance) C4'-P energy: -113.422 bonds (distance) P-C4' energy: -92.946 flat angles C4'-P-C4' energy: -142.231 flat angles P-C4'-P energy: -85.224 tors. eta vs tors. theta energy: -181.739 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: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1659.047010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.047010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.047010 (E_RNA) where: Base-Base interactions energy: -1118.906 where: short stacking energy: -452.088 Base-Backbone interact. energy: -0.578 local terms energy: -539.563168 where: bonds (distance) C4'-P energy: -108.514 bonds (distance) P-C4' energy: -126.510 flat angles C4'-P-C4' energy: -121.389 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -107.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1385.348045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.348045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.348045 (E_RNA) where: Base-Base interactions energy: -900.079 where: short stacking energy: -367.809 Base-Backbone interact. energy: -0.915 local terms energy: -484.354024 where: bonds (distance) C4'-P energy: -114.226 bonds (distance) P-C4' energy: -115.642 flat angles C4'-P-C4' energy: -121.413 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -68.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -901.002974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.002974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.002974 (E_RNA) where: Base-Base interactions energy: -531.401 where: short stacking energy: -241.646 Base-Backbone interact. energy: -5.546 local terms energy: -364.056057 where: bonds (distance) C4'-P energy: -102.700 bonds (distance) P-C4' energy: -104.721 flat angles C4'-P-C4' energy: -103.006 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2656.424986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.424986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.424986 (E_RNA) where: Base-Base interactions energy: -1888.363 where: short stacking energy: -793.204 Base-Backbone interact. energy: -0.488 local terms energy: -767.573798 where: bonds (distance) C4'-P energy: -127.062 bonds (distance) P-C4' energy: -117.012 flat angles C4'-P-C4' energy: -169.902 flat angles P-C4'-P energy: -107.828 tors. eta vs tors. theta energy: -245.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2594.267064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.267064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.267064 (E_RNA) where: Base-Base interactions energy: -1827.387 where: short stacking energy: -739.192 Base-Backbone interact. energy: -1.384 local terms energy: -765.495831 where: bonds (distance) C4'-P energy: -129.060 bonds (distance) P-C4' energy: -137.578 flat angles C4'-P-C4' energy: -158.947 flat angles P-C4'-P energy: -110.548 tors. eta vs tors. theta energy: -229.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2580.276243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.276243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.276243 (E_RNA) where: Base-Base interactions energy: -1852.826 where: short stacking energy: -774.628 Base-Backbone interact. energy: -1.638 local terms energy: -725.812512 where: bonds (distance) C4'-P energy: -109.343 bonds (distance) P-C4' energy: -127.575 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -111.067 tors. eta vs tors. theta energy: -226.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2461.620343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.620343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.620343 (E_RNA) where: Base-Base interactions energy: -1751.906 where: short stacking energy: -727.144 Base-Backbone interact. energy: 2.933 local terms energy: -712.647918 where: bonds (distance) C4'-P energy: -124.327 bonds (distance) P-C4' energy: -116.225 flat angles C4'-P-C4' energy: -157.157 flat angles P-C4'-P energy: -83.679 tors. eta vs tors. theta energy: -231.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2329.012642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.012642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.012642 (E_RNA) where: Base-Base interactions energy: -1636.112 where: short stacking energy: -677.677 Base-Backbone interact. energy: -0.983 local terms energy: -691.918193 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -128.058 flat angles C4'-P-C4' energy: -139.364 flat angles P-C4'-P energy: -97.034 tors. eta vs tors. theta energy: -216.561 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: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2047.659456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.659456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.659456 (E_RNA) where: Base-Base interactions energy: -1421.397 where: short stacking energy: -567.380 Base-Backbone interact. energy: 2.506 local terms energy: -628.767856 where: bonds (distance) C4'-P energy: -119.185 bonds (distance) P-C4' energy: -128.706 flat angles C4'-P-C4' energy: -128.716 flat angles P-C4'-P energy: -86.860 tors. eta vs tors. theta energy: -165.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1885.946557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.946557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.946557 (E_RNA) where: Base-Base interactions energy: -1271.259 where: short stacking energy: -538.056 Base-Backbone interact. energy: 0.900 local terms energy: -615.587255 where: bonds (distance) C4'-P energy: -119.867 bonds (distance) P-C4' energy: -119.026 flat angles C4'-P-C4' energy: -129.929 flat angles P-C4'-P energy: -93.430 tors. eta vs tors. theta energy: -153.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1634.750824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.750824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.750824 (E_RNA) where: Base-Base interactions energy: -1113.016 where: short stacking energy: -479.420 Base-Backbone interact. energy: -2.668 local terms energy: -519.066265 where: bonds (distance) C4'-P energy: -96.948 bonds (distance) P-C4' energy: -102.889 flat angles C4'-P-C4' energy: -122.729 flat angles P-C4'-P energy: -76.732 tors. eta vs tors. theta energy: -119.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1387.589226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.589226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.589226 (E_RNA) where: Base-Base interactions energy: -928.160 where: short stacking energy: -408.030 Base-Backbone interact. energy: 1.496 local terms energy: -460.925982 where: bonds (distance) C4'-P energy: -99.380 bonds (distance) P-C4' energy: -111.663 flat angles C4'-P-C4' energy: -116.323 flat angles P-C4'-P energy: -59.926 tors. eta vs tors. theta energy: -73.634 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: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -912.142766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.142766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.142766 (E_RNA) where: Base-Base interactions energy: -534.909 where: short stacking energy: -277.110 Base-Backbone interact. energy: -0.438 local terms energy: -376.795310 where: bonds (distance) C4'-P energy: -97.880 bonds (distance) P-C4' energy: -103.542 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: -15.930 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: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2698.571897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.571897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.571897 (E_RNA) where: Base-Base interactions energy: -1905.205 where: short stacking energy: -802.047 Base-Backbone interact. energy: -1.129 local terms energy: -792.238005 where: bonds (distance) C4'-P energy: -126.453 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -171.289 flat angles P-C4'-P energy: -112.653 tors. eta vs tors. theta energy: -249.844 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: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2603.524238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.524238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.524238 (E_RNA) where: Base-Base interactions energy: -1859.895 where: short stacking energy: -782.051 Base-Backbone interact. energy: -2.801 local terms energy: -740.827773 where: bonds (distance) C4'-P energy: -127.917 bonds (distance) P-C4' energy: -117.260 flat angles C4'-P-C4' energy: -152.022 flat angles P-C4'-P energy: -104.255 tors. eta vs tors. theta energy: -239.374 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: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2574.570529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.570529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.570529 (E_RNA) where: Base-Base interactions energy: -1837.366 where: short stacking energy: -736.329 Base-Backbone interact. energy: -3.920 local terms energy: -733.284367 where: bonds (distance) C4'-P energy: -111.271 bonds (distance) P-C4' energy: -126.627 flat angles C4'-P-C4' energy: -151.868 flat angles P-C4'-P energy: -113.072 tors. eta vs tors. theta energy: -230.446 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: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2460.643926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.643926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.643926 (E_RNA) where: Base-Base interactions energy: -1733.851 where: short stacking energy: -723.731 Base-Backbone interact. energy: 0.006 local terms energy: -726.799346 where: bonds (distance) C4'-P energy: -135.649 bonds (distance) P-C4' energy: -120.498 flat angles C4'-P-C4' energy: -147.271 flat angles P-C4'-P energy: -102.025 tors. eta vs tors. theta energy: -221.356 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: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2315.667447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.667447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.667447 (E_RNA) where: Base-Base interactions energy: -1590.185 where: short stacking energy: -676.052 Base-Backbone interact. energy: 0.557 local terms energy: -726.039343 where: bonds (distance) C4'-P energy: -124.616 bonds (distance) P-C4' energy: -123.700 flat angles C4'-P-C4' energy: -149.039 flat angles P-C4'-P energy: -101.875 tors. eta vs tors. theta energy: -226.810 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: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1996.855772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.855772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.855772 (E_RNA) where: Base-Base interactions energy: -1392.400 where: short stacking energy: -589.580 Base-Backbone interact. energy: -1.994 local terms energy: -602.461901 where: bonds (distance) C4'-P energy: -110.221 bonds (distance) P-C4' energy: -112.743 flat angles C4'-P-C4' energy: -136.075 flat angles P-C4'-P energy: -85.331 tors. eta vs tors. theta energy: -158.091 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: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1935.630632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.630632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.630632 (E_RNA) where: Base-Base interactions energy: -1321.502 where: short stacking energy: -571.687 Base-Backbone interact. energy: -2.916 local terms energy: -611.212478 where: bonds (distance) C4'-P energy: -105.583 bonds (distance) P-C4' energy: -115.708 flat angles C4'-P-C4' energy: -143.432 flat angles P-C4'-P energy: -82.317 tors. eta vs tors. theta energy: -164.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1711.050955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.050955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.050955 (E_RNA) where: Base-Base interactions energy: -1196.174 where: short stacking energy: -471.056 Base-Backbone interact. energy: -3.124 local terms energy: -511.752864 where: bonds (distance) C4'-P energy: -92.867 bonds (distance) P-C4' energy: -98.520 flat angles C4'-P-C4' energy: -128.342 flat angles P-C4'-P energy: -82.756 tors. eta vs tors. theta energy: -109.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1414.046656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.046656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.046656 (E_RNA) where: Base-Base interactions energy: -954.980 where: short stacking energy: -395.032 Base-Backbone interact. energy: 6.165 local terms energy: -465.231604 where: bonds (distance) C4'-P energy: -100.457 bonds (distance) P-C4' energy: -94.951 flat angles C4'-P-C4' energy: -103.986 flat angles P-C4'-P energy: -67.568 tors. eta vs tors. theta energy: -98.271 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: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -905.801020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.801020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.801020 (E_RNA) where: Base-Base interactions energy: -491.243 where: short stacking energy: -238.909 Base-Backbone interact. energy: 5.674 local terms energy: -420.231522 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -123.776 flat angles C4'-P-C4' energy: -89.960 flat angles P-C4'-P energy: -74.670 tors. eta vs tors. theta energy: -20.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2679.222500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.222500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.222500 (E_RNA) where: Base-Base interactions energy: -1890.845 where: short stacking energy: -789.179 Base-Backbone interact. energy: -0.201 local terms energy: -788.176463 where: bonds (distance) C4'-P energy: -128.966 bonds (distance) P-C4' energy: -129.841 flat angles C4'-P-C4' energy: -168.711 flat angles P-C4'-P energy: -116.095 tors. eta vs tors. theta energy: -244.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2603.050445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.050445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.050445 (E_RNA) where: Base-Base interactions energy: -1835.720 where: short stacking energy: -739.470 Base-Backbone interact. energy: -2.185 local terms energy: -765.146132 where: bonds (distance) C4'-P energy: -132.608 bonds (distance) P-C4' energy: -136.454 flat angles C4'-P-C4' energy: -154.432 flat angles P-C4'-P energy: -107.952 tors. eta vs tors. theta energy: -233.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2541.892888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.892888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.892888 (E_RNA) where: Base-Base interactions energy: -1790.777 where: short stacking energy: -736.007 Base-Backbone interact. energy: -3.198 local terms energy: -747.918238 where: bonds (distance) C4'-P energy: -127.277 bonds (distance) P-C4' energy: -120.545 flat angles C4'-P-C4' energy: -158.229 flat angles P-C4'-P energy: -113.979 tors. eta vs tors. theta energy: -227.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2461.893887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.893887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.893887 (E_RNA) where: Base-Base interactions energy: -1722.149 where: short stacking energy: -713.738 Base-Backbone interact. energy: -5.528 local terms energy: -734.217431 where: bonds (distance) C4'-P energy: -124.982 bonds (distance) P-C4' energy: -125.646 flat angles C4'-P-C4' energy: -150.597 flat angles P-C4'-P energy: -108.254 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: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2330.658399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.658399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.658399 (E_RNA) where: Base-Base interactions energy: -1630.425 where: short stacking energy: -680.072 Base-Backbone interact. energy: -0.665 local terms energy: -699.568472 where: bonds (distance) C4'-P energy: -126.411 bonds (distance) P-C4' energy: -117.190 flat angles C4'-P-C4' energy: -147.351 flat angles P-C4'-P energy: -97.021 tors. eta vs tors. theta energy: -211.596 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: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1982.107178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.107178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.107178 (E_RNA) where: Base-Base interactions energy: -1362.690 where: short stacking energy: -590.773 Base-Backbone interact. energy: -1.475 local terms energy: -617.942274 where: bonds (distance) C4'-P energy: -98.563 bonds (distance) P-C4' energy: -129.851 flat angles C4'-P-C4' energy: -136.012 flat angles P-C4'-P energy: -82.861 tors. eta vs tors. theta energy: -170.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1948.578197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.578197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.578197 (E_RNA) where: Base-Base interactions energy: -1331.704 where: short stacking energy: -544.373 Base-Backbone interact. energy: 1.077 local terms energy: -617.950615 where: bonds (distance) C4'-P energy: -109.574 bonds (distance) P-C4' energy: -120.134 flat angles C4'-P-C4' energy: -132.752 flat angles P-C4'-P energy: -93.988 tors. eta vs tors. theta energy: -161.503 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: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1659.039444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.039444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.039444 (E_RNA) where: Base-Base interactions energy: -1115.191 where: short stacking energy: -446.789 Base-Backbone interact. energy: -2.888 local terms energy: -540.960782 where: bonds (distance) C4'-P energy: -114.336 bonds (distance) P-C4' energy: -112.331 flat angles C4'-P-C4' energy: -119.104 flat angles P-C4'-P energy: -87.630 tors. eta vs tors. theta energy: -107.561 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: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1441.606345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.606345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.606345 (E_RNA) where: Base-Base interactions energy: -943.931 where: short stacking energy: -413.721 Base-Backbone interact. energy: 4.953 local terms energy: -502.628637 where: bonds (distance) C4'-P energy: -103.458 bonds (distance) P-C4' energy: -115.973 flat angles C4'-P-C4' energy: -105.880 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: -110.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -836.670473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.670473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.670473 (E_RNA) where: Base-Base interactions energy: -463.770 where: short stacking energy: -251.493 Base-Backbone interact. energy: 2.925 local terms energy: -375.825122 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -123.282 flat angles C4'-P-C4' energy: -86.201 flat angles P-C4'-P energy: -51.755 tors. eta vs tors. theta energy: -14.400 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: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2665.819847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.819847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.819847 (E_RNA) where: Base-Base interactions energy: -1890.181 where: short stacking energy: -775.093 Base-Backbone interact. energy: -0.492 local terms energy: -775.146062 where: bonds (distance) C4'-P energy: -133.094 bonds (distance) P-C4' energy: -133.460 flat angles C4'-P-C4' energy: -157.272 flat angles P-C4'-P energy: -107.341 tors. eta vs tors. theta energy: -243.978 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: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2609.460000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.460000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.460000 (E_RNA) where: Base-Base interactions energy: -1882.722 where: short stacking energy: -751.815 Base-Backbone interact. energy: -1.999 local terms energy: -724.739665 where: bonds (distance) C4'-P energy: -121.044 bonds (distance) P-C4' energy: -130.478 flat angles C4'-P-C4' energy: -147.364 flat angles P-C4'-P energy: -97.995 tors. eta vs tors. theta energy: -227.858 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: 218 Temperature: 1.000000 Total energy: -2567.069746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.069746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.069746 (E_RNA) where: Base-Base interactions energy: -1831.003 where: short stacking energy: -791.610 Base-Backbone interact. energy: 1.098 local terms energy: -737.165525 where: bonds (distance) C4'-P energy: -123.262 bonds (distance) P-C4' energy: -119.114 flat angles C4'-P-C4' energy: -151.772 flat angles P-C4'-P energy: -113.194 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: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2437.187091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.187091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.187091 (E_RNA) where: Base-Base interactions energy: -1745.164 where: short stacking energy: -711.893 Base-Backbone interact. energy: -1.595 local terms energy: -690.428419 where: bonds (distance) C4'-P energy: -118.009 bonds (distance) P-C4' energy: -104.064 flat angles C4'-P-C4' energy: -150.721 flat angles P-C4'-P energy: -89.306 tors. eta vs tors. theta energy: -228.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2310.771662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.771662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.771662 (E_RNA) where: Base-Base interactions energy: -1630.680 where: short stacking energy: -668.102 Base-Backbone interact. energy: -2.483 local terms energy: -677.608479 where: bonds (distance) C4'-P energy: -106.992 bonds (distance) P-C4' energy: -129.460 flat angles C4'-P-C4' energy: -144.507 flat angles P-C4'-P energy: -96.668 tors. eta vs tors. theta energy: -199.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1980.845948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.845948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.845948 (E_RNA) where: Base-Base interactions energy: -1367.893 where: short stacking energy: -588.131 Base-Backbone interact. energy: -2.117 local terms energy: -610.836043 where: bonds (distance) C4'-P energy: -101.242 bonds (distance) P-C4' energy: -109.561 flat angles C4'-P-C4' energy: -137.341 flat angles P-C4'-P energy: -91.559 tors. eta vs tors. theta energy: -171.133 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: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1900.351172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.351172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.351172 (E_RNA) where: Base-Base interactions energy: -1349.405 where: short stacking energy: -542.297 Base-Backbone interact. energy: 0.187 local terms energy: -551.132727 where: bonds (distance) C4'-P energy: -100.303 bonds (distance) P-C4' energy: -120.152 flat angles C4'-P-C4' energy: -124.877 flat angles P-C4'-P energy: -59.894 tors. eta vs tors. theta energy: -145.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1676.386533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.386533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.386533 (E_RNA) where: Base-Base interactions energy: -1155.179 where: short stacking energy: -473.544 Base-Backbone interact. energy: 1.022 local terms energy: -522.230348 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -113.952 flat angles C4'-P-C4' energy: -111.021 flat angles P-C4'-P energy: -87.484 tors. eta vs tors. theta energy: -110.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1414.279912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.279912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.279912 (E_RNA) where: Base-Base interactions energy: -942.891 where: short stacking energy: -414.760 Base-Backbone interact. energy: -1.151 local terms energy: -470.238063 where: bonds (distance) C4'-P energy: -75.567 bonds (distance) P-C4' energy: -115.231 flat angles C4'-P-C4' energy: -121.245 flat angles P-C4'-P energy: -57.009 tors. eta vs tors. theta energy: -101.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -838.445361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.445361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.445361 (E_RNA) where: Base-Base interactions energy: -439.735 where: short stacking energy: -249.666 Base-Backbone interact. energy: -3.540 local terms energy: -395.170353 where: bonds (distance) C4'-P energy: -110.023 bonds (distance) P-C4' energy: -103.579 flat angles C4'-P-C4' energy: -100.729 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -29.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2683.431065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.431065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.431065 (E_RNA) where: Base-Base interactions energy: -1919.001 where: short stacking energy: -802.302 Base-Backbone interact. energy: 2.215 local terms energy: -766.644356 where: bonds (distance) C4'-P energy: -120.267 bonds (distance) P-C4' energy: -139.353 flat angles C4'-P-C4' energy: -152.531 flat angles P-C4'-P energy: -111.094 tors. eta vs tors. theta energy: -243.399 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: 219 Temperature: 0.950000 Total energy: -2605.758744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.758744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.758744 (E_RNA) where: Base-Base interactions energy: -1853.867 where: short stacking energy: -778.954 Base-Backbone interact. energy: -1.383 local terms energy: -750.509022 where: bonds (distance) C4'-P energy: -126.632 bonds (distance) P-C4' energy: -120.151 flat angles C4'-P-C4' energy: -159.022 flat angles P-C4'-P energy: -109.339 tors. eta vs tors. theta energy: -235.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2549.681996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.681996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.681996 (E_RNA) where: Base-Base interactions energy: -1831.341 where: short stacking energy: -746.361 Base-Backbone interact. energy: 3.552 local terms energy: -721.893467 where: bonds (distance) C4'-P energy: -117.948 bonds (distance) P-C4' energy: -133.555 flat angles C4'-P-C4' energy: -151.509 flat angles P-C4'-P energy: -87.270 tors. eta vs tors. theta energy: -231.612 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: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2422.130806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.130806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.130806 (E_RNA) where: Base-Base interactions energy: -1727.227 where: short stacking energy: -716.035 Base-Backbone interact. energy: -2.862 local terms energy: -692.042218 where: bonds (distance) C4'-P energy: -91.280 bonds (distance) P-C4' energy: -130.136 flat angles C4'-P-C4' energy: -158.602 flat angles P-C4'-P energy: -92.338 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: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2312.425688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.425688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.425688 (E_RNA) where: Base-Base interactions energy: -1646.585 where: short stacking energy: -683.756 Base-Backbone interact. energy: 3.735 local terms energy: -669.575325 where: bonds (distance) C4'-P energy: -107.077 bonds (distance) P-C4' energy: -122.974 flat angles C4'-P-C4' energy: -136.742 flat angles P-C4'-P energy: -95.397 tors. eta vs tors. theta energy: -207.386 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: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2015.393845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.393845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.393845 (E_RNA) where: Base-Base interactions energy: -1388.833 where: short stacking energy: -603.356 Base-Backbone interact. energy: -1.643 local terms energy: -624.917753 where: bonds (distance) C4'-P energy: -104.136 bonds (distance) P-C4' energy: -117.044 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -80.464 tors. eta vs tors. theta energy: -178.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1887.696841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.696841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.696841 (E_RNA) where: Base-Base interactions energy: -1331.617 where: short stacking energy: -545.447 Base-Backbone interact. energy: -0.666 local terms energy: -555.413403 where: bonds (distance) C4'-P energy: -111.789 bonds (distance) P-C4' energy: -97.604 flat angles C4'-P-C4' energy: -116.778 flat angles P-C4'-P energy: -82.384 tors. eta vs tors. theta energy: -146.857 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: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1645.009524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.009524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.009524 (E_RNA) where: Base-Base interactions energy: -1111.876 where: short stacking energy: -471.654 Base-Backbone interact. energy: 0.918 local terms energy: -534.051424 where: bonds (distance) C4'-P energy: -104.506 bonds (distance) P-C4' energy: -140.895 flat angles C4'-P-C4' energy: -129.177 flat angles P-C4'-P energy: -61.583 tors. eta vs tors. theta energy: -97.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1502.952116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.952116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.952116 (E_RNA) where: Base-Base interactions energy: -1000.726 where: short stacking energy: -406.193 Base-Backbone interact. energy: -1.289 local terms energy: -500.937075 where: bonds (distance) C4'-P energy: -125.742 bonds (distance) P-C4' energy: -118.235 flat angles C4'-P-C4' energy: -114.555 flat angles P-C4'-P energy: -59.433 tors. eta vs tors. theta energy: -82.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -875.237078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.237078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.237078 (E_RNA) where: Base-Base interactions energy: -509.167 where: short stacking energy: -245.167 Base-Backbone interact. energy: -1.613 local terms energy: -364.457648 where: bonds (distance) C4'-P energy: -108.215 bonds (distance) P-C4' energy: -114.973 flat angles C4'-P-C4' energy: -78.365 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -20.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2658.583446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.583446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.583446 (E_RNA) where: Base-Base interactions energy: -1878.162 where: short stacking energy: -796.549 Base-Backbone interact. energy: -1.267 local terms energy: -779.154209 where: bonds (distance) C4'-P energy: -140.488 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -158.639 flat angles P-C4'-P energy: -111.559 tors. eta vs tors. theta energy: -240.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2631.949853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.949853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.949853 (E_RNA) where: Base-Base interactions energy: -1899.617 where: short stacking energy: -770.653 Base-Backbone interact. energy: -0.632 local terms energy: -731.700983 where: bonds (distance) C4'-P energy: -122.010 bonds (distance) P-C4' energy: -105.875 flat angles C4'-P-C4' energy: -153.172 flat angles P-C4'-P energy: -122.896 tors. eta vs tors. theta energy: -227.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2532.169026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.169026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.169026 (E_RNA) where: Base-Base interactions energy: -1793.676 where: short stacking energy: -735.774 Base-Backbone interact. energy: -1.050 local terms energy: -737.443094 where: bonds (distance) C4'-P energy: -135.179 bonds (distance) P-C4' energy: -114.621 flat angles C4'-P-C4' energy: -150.048 flat angles P-C4'-P energy: -104.943 tors. eta vs tors. theta energy: -232.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2407.617896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.617896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.617896 (E_RNA) where: Base-Base interactions energy: -1707.854 where: short stacking energy: -696.536 Base-Backbone interact. energy: -2.239 local terms energy: -697.524643 where: bonds (distance) C4'-P energy: -110.655 bonds (distance) P-C4' energy: -136.719 flat angles C4'-P-C4' energy: -156.367 flat angles P-C4'-P energy: -80.739 tors. eta vs tors. theta energy: -213.045 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: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2334.709463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.709463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.709463 (E_RNA) where: Base-Base interactions energy: -1668.111 where: short stacking energy: -706.217 Base-Backbone interact. energy: -0.415 local terms energy: -666.183130 where: bonds (distance) C4'-P energy: -106.202 bonds (distance) P-C4' energy: -113.773 flat angles C4'-P-C4' energy: -136.266 flat angles P-C4'-P energy: -96.032 tors. eta vs tors. theta energy: -213.909 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: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1991.203167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.203167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.203167 (E_RNA) where: Base-Base interactions energy: -1374.056 where: short stacking energy: -577.173 Base-Backbone interact. energy: 1.071 local terms energy: -618.217884 where: bonds (distance) C4'-P energy: -106.341 bonds (distance) P-C4' energy: -113.048 flat angles C4'-P-C4' energy: -134.901 flat angles P-C4'-P energy: -95.665 tors. eta vs tors. theta energy: -168.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1911.925550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.925550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.925550 (E_RNA) where: Base-Base interactions energy: -1326.220 where: short stacking energy: -567.678 Base-Backbone interact. energy: -0.518 local terms energy: -585.187950 where: bonds (distance) C4'-P energy: -91.490 bonds (distance) P-C4' energy: -119.996 flat angles C4'-P-C4' energy: -136.815 flat angles P-C4'-P energy: -77.150 tors. eta vs tors. theta energy: -159.737 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: 220 Temperature: 1.250000 Total energy: -1637.820437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.820437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.820437 (E_RNA) where: Base-Base interactions energy: -1109.100 where: short stacking energy: -466.085 Base-Backbone interact. energy: -3.721 local terms energy: -524.999830 where: bonds (distance) C4'-P energy: -97.395 bonds (distance) P-C4' energy: -128.210 flat angles C4'-P-C4' energy: -116.711 flat angles P-C4'-P energy: -73.534 tors. eta vs tors. theta energy: -109.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1474.644353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.644353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.644353 (E_RNA) where: Base-Base interactions energy: -977.692 where: short stacking energy: -419.739 Base-Backbone interact. energy: -1.500 local terms energy: -495.452350 where: bonds (distance) C4'-P energy: -112.278 bonds (distance) P-C4' energy: -108.274 flat angles C4'-P-C4' energy: -116.422 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -87.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -905.253266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.253266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.253266 (E_RNA) where: Base-Base interactions energy: -531.706 where: short stacking energy: -260.114 Base-Backbone interact. energy: -1.261 local terms energy: -372.285877 where: bonds (distance) C4'-P energy: -95.894 bonds (distance) P-C4' energy: -101.885 flat angles C4'-P-C4' energy: -90.347 flat angles P-C4'-P energy: -50.536 tors. eta vs tors. theta energy: -33.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2668.916706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.916706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.916706 (E_RNA) where: Base-Base interactions energy: -1876.547 where: short stacking energy: -782.291 Base-Backbone interact. energy: -0.133 local terms energy: -792.236767 where: bonds (distance) C4'-P energy: -141.281 bonds (distance) P-C4' energy: -135.456 flat angles C4'-P-C4' energy: -161.708 flat angles P-C4'-P energy: -113.716 tors. eta vs tors. theta energy: -240.076 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: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2615.725442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.725442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.725442 (E_RNA) where: Base-Base interactions energy: -1887.151 where: short stacking energy: -761.137 Base-Backbone interact. energy: 2.575 local terms energy: -731.149005 where: bonds (distance) C4'-P energy: -117.643 bonds (distance) P-C4' energy: -121.389 flat angles C4'-P-C4' energy: -152.246 flat angles P-C4'-P energy: -102.924 tors. eta vs tors. theta energy: -236.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2581.816511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.816511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.816511 (E_RNA) where: Base-Base interactions energy: -1853.482 where: short stacking energy: -776.065 Base-Backbone interact. energy: -0.715 local terms energy: -727.620018 where: bonds (distance) C4'-P energy: -126.007 bonds (distance) P-C4' energy: -119.231 flat angles C4'-P-C4' energy: -145.158 flat angles P-C4'-P energy: -108.707 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: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2370.806980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.806980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.806980 (E_RNA) where: Base-Base interactions energy: -1682.916 where: short stacking energy: -695.203 Base-Backbone interact. energy: -2.690 local terms energy: -685.201718 where: bonds (distance) C4'-P energy: -122.734 bonds (distance) P-C4' energy: -103.356 flat angles C4'-P-C4' energy: -147.667 flat angles P-C4'-P energy: -95.228 tors. eta vs tors. theta energy: -216.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2311.535360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.535360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.535360 (E_RNA) where: Base-Base interactions energy: -1617.954 where: short stacking energy: -678.072 Base-Backbone interact. energy: -0.196 local terms energy: -693.384722 where: bonds (distance) C4'-P energy: -121.095 bonds (distance) P-C4' energy: -120.420 flat angles C4'-P-C4' energy: -149.325 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -212.810 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: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1980.233579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.233579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.233579 (E_RNA) where: Base-Base interactions energy: -1371.212 where: short stacking energy: -584.096 Base-Backbone interact. energy: 0.283 local terms energy: -609.304692 where: bonds (distance) C4'-P energy: -120.847 bonds (distance) P-C4' energy: -114.563 flat angles C4'-P-C4' energy: -126.608 flat angles P-C4'-P energy: -82.385 tors. eta vs tors. theta energy: -164.901 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: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1912.658809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.658809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.658809 (E_RNA) where: Base-Base interactions energy: -1328.711 where: short stacking energy: -573.699 Base-Backbone interact. energy: -0.291 local terms energy: -583.656434 where: bonds (distance) C4'-P energy: -103.474 bonds (distance) P-C4' energy: -105.964 flat angles C4'-P-C4' energy: -134.709 flat angles P-C4'-P energy: -73.066 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: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1609.161551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.161551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.161551 (E_RNA) where: Base-Base interactions energy: -1099.477 where: short stacking energy: -442.890 Base-Backbone interact. energy: 2.624 local terms energy: -512.308393 where: bonds (distance) C4'-P energy: -93.002 bonds (distance) P-C4' energy: -121.133 flat angles C4'-P-C4' energy: -118.745 flat angles P-C4'-P energy: -74.516 tors. eta vs tors. theta energy: -104.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1447.359443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.359443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.359443 (E_RNA) where: Base-Base interactions energy: -962.490 where: short stacking energy: -398.612 Base-Backbone interact. energy: -2.903 local terms energy: -481.966278 where: bonds (distance) C4'-P energy: -89.003 bonds (distance) P-C4' energy: -122.932 flat angles C4'-P-C4' energy: -113.173 flat angles P-C4'-P energy: -61.786 tors. eta vs tors. theta energy: -95.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -881.082935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.082935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.082935 (E_RNA) where: Base-Base interactions energy: -472.268 where: short stacking energy: -246.302 Base-Backbone interact. energy: -0.943 local terms energy: -407.871634 where: bonds (distance) C4'-P energy: -108.133 bonds (distance) P-C4' energy: -114.436 flat angles C4'-P-C4' energy: -99.472 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: -20.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2672.021834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.021834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.021834 (E_RNA) where: Base-Base interactions energy: -1874.455 where: short stacking energy: -789.668 Base-Backbone interact. energy: -2.425 local terms energy: -795.141716 where: bonds (distance) C4'-P energy: -150.108 bonds (distance) P-C4' energy: -131.350 flat angles C4'-P-C4' energy: -158.084 flat angles P-C4'-P energy: -113.631 tors. eta vs tors. theta energy: -241.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2587.894752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.894752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.894752 (E_RNA) where: Base-Base interactions energy: -1831.841 where: short stacking energy: -749.636 Base-Backbone interact. energy: 0.323 local terms energy: -756.376729 where: bonds (distance) C4'-P energy: -140.605 bonds (distance) P-C4' energy: -138.517 flat angles C4'-P-C4' energy: -145.127 flat angles P-C4'-P energy: -105.099 tors. eta vs tors. theta energy: -227.029 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2570.404303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.404303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.404303 (E_RNA) where: Base-Base interactions energy: -1830.126 where: short stacking energy: -739.449 Base-Backbone interact. energy: 0.178 local terms energy: -740.457001 where: bonds (distance) C4'-P energy: -126.768 bonds (distance) P-C4' energy: -123.881 flat angles C4'-P-C4' energy: -149.702 flat angles P-C4'-P energy: -112.361 tors. eta vs tors. theta energy: -227.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2402.611497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.611497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.611497 (E_RNA) where: Base-Base interactions energy: -1687.384 where: short stacking energy: -709.910 Base-Backbone interact. energy: -0.721 local terms energy: -714.506936 where: bonds (distance) C4'-P energy: -123.886 bonds (distance) P-C4' energy: -119.048 flat angles C4'-P-C4' energy: -147.248 flat angles P-C4'-P energy: -102.244 tors. eta vs tors. theta energy: -222.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2358.014248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.014248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.014248 (E_RNA) where: Base-Base interactions energy: -1665.330 where: short stacking energy: -706.730 Base-Backbone interact. energy: 1.734 local terms energy: -694.418374 where: bonds (distance) C4'-P energy: -117.481 bonds (distance) P-C4' energy: -122.237 flat angles C4'-P-C4' energy: -142.850 flat angles P-C4'-P energy: -93.263 tors. eta vs tors. theta energy: -218.587 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: 222 Temperature: 1.150000 Total energy: -1980.058231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.058231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.058231 (E_RNA) where: Base-Base interactions energy: -1338.060 where: short stacking energy: -565.895 Base-Backbone interact. energy: -1.288 local terms energy: -640.710010 where: bonds (distance) C4'-P energy: -120.920 bonds (distance) P-C4' energy: -127.424 flat angles C4'-P-C4' energy: -141.800 flat angles P-C4'-P energy: -91.249 tors. eta vs tors. theta energy: -159.317 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: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1809.434571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.434571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.434571 (E_RNA) where: Base-Base interactions energy: -1255.831 where: short stacking energy: -530.133 Base-Backbone interact. energy: -2.680 local terms energy: -550.923735 where: bonds (distance) C4'-P energy: -109.440 bonds (distance) P-C4' energy: -109.517 flat angles C4'-P-C4' energy: -112.129 flat angles P-C4'-P energy: -73.477 tors. eta vs tors. theta energy: -146.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1705.277823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.277823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.277823 (E_RNA) where: Base-Base interactions energy: -1178.287 where: short stacking energy: -462.473 Base-Backbone interact. energy: 1.826 local terms energy: -528.817223 where: bonds (distance) C4'-P energy: -87.818 bonds (distance) P-C4' energy: -119.327 flat angles C4'-P-C4' energy: -123.870 flat angles P-C4'-P energy: -86.622 tors. eta vs tors. theta energy: -111.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1484.542435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.542435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.542435 (E_RNA) where: Base-Base interactions energy: -987.599 where: short stacking energy: -443.936 Base-Backbone interact. energy: -3.278 local terms energy: -493.664833 where: bonds (distance) C4'-P energy: -102.975 bonds (distance) P-C4' energy: -98.724 flat angles C4'-P-C4' energy: -110.327 flat angles P-C4'-P energy: -76.554 tors. eta vs tors. theta energy: -105.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -900.431229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.431229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.431229 (E_RNA) where: Base-Base interactions energy: -523.012 where: short stacking energy: -276.045 Base-Backbone interact. energy: -1.879 local terms energy: -375.540956 where: bonds (distance) C4'-P energy: -103.722 bonds (distance) P-C4' energy: -106.187 flat angles C4'-P-C4' energy: -92.588 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -14.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2665.416174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.416174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.416174 (E_RNA) where: Base-Base interactions energy: -1901.888 where: short stacking energy: -783.314 Base-Backbone interact. energy: -1.759 local terms energy: -761.769813 where: bonds (distance) C4'-P energy: -135.110 bonds (distance) P-C4' energy: -124.825 flat angles C4'-P-C4' energy: -150.557 flat angles P-C4'-P energy: -114.102 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: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2583.672423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.672423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.672423 (E_RNA) where: Base-Base interactions energy: -1841.763 where: short stacking energy: -761.497 Base-Backbone interact. energy: -1.236 local terms energy: -740.673086 where: bonds (distance) C4'-P energy: -126.355 bonds (distance) P-C4' energy: -122.328 flat angles C4'-P-C4' energy: -156.876 flat angles P-C4'-P energy: -107.597 tors. eta vs tors. theta energy: -227.518 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: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2587.225945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.225945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.225945 (E_RNA) where: Base-Base interactions energy: -1855.534 where: short stacking energy: -756.698 Base-Backbone interact. energy: -0.011 local terms energy: -731.681163 where: bonds (distance) C4'-P energy: -120.872 bonds (distance) P-C4' energy: -123.998 flat angles C4'-P-C4' energy: -149.193 flat angles P-C4'-P energy: -104.293 tors. eta vs tors. theta energy: -233.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2438.168576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.168576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.168576 (E_RNA) where: Base-Base interactions energy: -1737.775 where: short stacking energy: -726.977 Base-Backbone interact. energy: -3.752 local terms energy: -696.641365 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -120.674 flat angles C4'-P-C4' energy: -151.471 flat angles P-C4'-P energy: -95.028 tors. eta vs tors. theta energy: -229.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2360.810641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.810641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.810641 (E_RNA) where: Base-Base interactions energy: -1675.713 where: short stacking energy: -683.617 Base-Backbone interact. energy: -1.705 local terms energy: -683.392126 where: bonds (distance) C4'-P energy: -112.136 bonds (distance) P-C4' energy: -120.334 flat angles C4'-P-C4' energy: -133.712 flat angles P-C4'-P energy: -96.219 tors. eta vs tors. theta energy: -220.990 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: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1987.228623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.228623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.228623 (E_RNA) where: Base-Base interactions energy: -1399.603 where: short stacking energy: -604.538 Base-Backbone interact. energy: 3.670 local terms energy: -591.295278 where: bonds (distance) C4'-P energy: -106.900 bonds (distance) P-C4' energy: -107.880 flat angles C4'-P-C4' energy: -132.684 flat angles P-C4'-P energy: -76.918 tors. eta vs tors. theta energy: -166.913 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: 223 Temperature: 1.200000 Total energy: -1824.411604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.411604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.411604 (E_RNA) where: Base-Base interactions energy: -1257.129 where: short stacking energy: -534.794 Base-Backbone interact. energy: 1.933 local terms energy: -569.215472 where: bonds (distance) C4'-P energy: -98.530 bonds (distance) P-C4' energy: -102.833 flat angles C4'-P-C4' energy: -145.348 flat angles P-C4'-P energy: -75.933 tors. eta vs tors. theta energy: -146.572 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: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1706.570053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.570053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.570053 (E_RNA) where: Base-Base interactions energy: -1177.671 where: short stacking energy: -480.402 Base-Backbone interact. energy: -1.531 local terms energy: -527.368506 where: bonds (distance) C4'-P energy: -114.239 bonds (distance) P-C4' energy: -93.983 flat angles C4'-P-C4' energy: -121.914 flat angles P-C4'-P energy: -84.782 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: 9, replica: 4 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1456.919735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.919735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.919735 (E_RNA) where: Base-Base interactions energy: -976.891 where: short stacking energy: -422.929 Base-Backbone interact. energy: -2.307 local terms energy: -477.722264 where: bonds (distance) C4'-P energy: -109.942 bonds (distance) P-C4' energy: -105.386 flat angles C4'-P-C4' energy: -116.224 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -84.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1020.706606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.706606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.706606 (E_RNA) where: Base-Base interactions energy: -591.006 where: short stacking energy: -247.876 Base-Backbone interact. energy: 1.691 local terms energy: -431.391810 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -118.181 flat angles C4'-P-C4' energy: -104.948 flat angles P-C4'-P energy: -65.616 tors. eta vs tors. theta energy: -26.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2661.386584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.386584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.386584 (E_RNA) where: Base-Base interactions energy: -1871.295 where: short stacking energy: -781.972 Base-Backbone interact. energy: -1.387 local terms energy: -788.704902 where: bonds (distance) C4'-P energy: -136.040 bonds (distance) P-C4' energy: -146.853 flat angles C4'-P-C4' energy: -163.263 flat angles P-C4'-P energy: -108.716 tors. eta vs tors. theta energy: -233.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2590.372728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.372728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.372728 (E_RNA) where: Base-Base interactions energy: -1844.820 where: short stacking energy: -745.720 Base-Backbone interact. energy: -1.108 local terms energy: -744.444639 where: bonds (distance) C4'-P energy: -132.858 bonds (distance) P-C4' energy: -129.857 flat angles C4'-P-C4' energy: -150.703 flat angles P-C4'-P energy: -109.276 tors. eta vs tors. theta energy: -221.750 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: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2548.964981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.964981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.964981 (E_RNA) where: Base-Base interactions energy: -1792.433 where: short stacking energy: -749.158 Base-Backbone interact. energy: 0.163 local terms energy: -756.695361 where: bonds (distance) C4'-P energy: -124.341 bonds (distance) P-C4' energy: -145.642 flat angles C4'-P-C4' energy: -154.038 flat angles P-C4'-P energy: -97.767 tors. eta vs tors. theta energy: -234.908 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: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2437.462012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.462012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.462012 (E_RNA) where: Base-Base interactions energy: -1726.620 where: short stacking energy: -716.020 Base-Backbone interact. energy: 2.697 local terms energy: -713.539633 where: bonds (distance) C4'-P energy: -123.095 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -149.929 flat angles P-C4'-P energy: -103.686 tors. eta vs tors. theta energy: -220.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2333.068958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.068958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.068958 (E_RNA) where: Base-Base interactions energy: -1646.605 where: short stacking energy: -687.628 Base-Backbone interact. energy: 0.742 local terms energy: -687.206427 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -117.875 flat angles C4'-P-C4' energy: -146.822 flat angles P-C4'-P energy: -89.997 tors. eta vs tors. theta energy: -215.412 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: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1994.780312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.780312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.780312 (E_RNA) where: Base-Base interactions energy: -1367.347 where: short stacking energy: -578.538 Base-Backbone interact. energy: 1.494 local terms energy: -628.927557 where: bonds (distance) C4'-P energy: -127.882 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -126.101 flat angles P-C4'-P energy: -87.057 tors. eta vs tors. theta energy: -160.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1808.357330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.357330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.357330 (E_RNA) where: Base-Base interactions energy: -1199.058 where: short stacking energy: -525.974 Base-Backbone interact. energy: 1.367 local terms energy: -610.666219 where: bonds (distance) C4'-P energy: -109.798 bonds (distance) P-C4' energy: -130.766 flat angles C4'-P-C4' energy: -135.251 flat angles P-C4'-P energy: -79.603 tors. eta vs tors. theta energy: -155.249 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: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1630.167115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.167115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.167115 (E_RNA) where: Base-Base interactions energy: -1088.507 where: short stacking energy: -466.204 Base-Backbone interact. energy: -0.712 local terms energy: -540.947670 where: bonds (distance) C4'-P energy: -111.412 bonds (distance) P-C4' energy: -118.788 flat angles C4'-P-C4' energy: -123.012 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -117.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1606.432856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.432856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.432856 (E_RNA) where: Base-Base interactions energy: -1072.816 where: short stacking energy: -482.125 Base-Backbone interact. energy: -2.375 local terms energy: -531.242452 where: bonds (distance) C4'-P energy: -106.823 bonds (distance) P-C4' energy: -115.465 flat angles C4'-P-C4' energy: -115.455 flat angles P-C4'-P energy: -74.256 tors. eta vs tors. theta energy: -119.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1083.919248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.919248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.919248 (E_RNA) where: Base-Base interactions energy: -706.877 where: short stacking energy: -311.621 Base-Backbone interact. energy: 4.293 local terms energy: -381.335454 where: bonds (distance) C4'-P energy: -82.792 bonds (distance) P-C4' energy: -94.464 flat angles C4'-P-C4' energy: -108.456 flat angles P-C4'-P energy: -50.102 tors. eta vs tors. theta energy: -45.521 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: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2653.813790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.813790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.813790 (E_RNA) where: Base-Base interactions energy: -1889.773 where: short stacking energy: -789.951 Base-Backbone interact. energy: -0.288 local terms energy: -763.752558 where: bonds (distance) C4'-P energy: -127.405 bonds (distance) P-C4' energy: -125.995 flat angles C4'-P-C4' energy: -160.077 flat angles P-C4'-P energy: -107.756 tors. eta vs tors. theta energy: -242.520 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: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2576.418602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.418602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.418602 (E_RNA) where: Base-Base interactions energy: -1814.957 where: short stacking energy: -748.045 Base-Backbone interact. energy: -0.748 local terms energy: -760.713899 where: bonds (distance) C4'-P energy: -126.173 bonds (distance) P-C4' energy: -137.550 flat angles C4'-P-C4' energy: -164.328 flat angles P-C4'-P energy: -102.889 tors. eta vs tors. theta energy: -229.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2560.001489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.001489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.001489 (E_RNA) where: Base-Base interactions energy: -1816.925 where: short stacking energy: -754.933 Base-Backbone interact. energy: 0.896 local terms energy: -743.972063 where: bonds (distance) C4'-P energy: -112.866 bonds (distance) P-C4' energy: -126.717 flat angles C4'-P-C4' energy: -162.962 flat angles P-C4'-P energy: -111.832 tors. eta vs tors. theta energy: -229.595 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: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2434.912362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.912362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.912362 (E_RNA) where: Base-Base interactions energy: -1752.474 where: short stacking energy: -709.250 Base-Backbone interact. energy: 1.579 local terms energy: -684.017708 where: bonds (distance) C4'-P energy: -100.362 bonds (distance) P-C4' energy: -123.122 flat angles C4'-P-C4' energy: -145.665 flat angles P-C4'-P energy: -97.775 tors. eta vs tors. theta energy: -217.094 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: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2418.122589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.122589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.122589 (E_RNA) where: Base-Base interactions energy: -1713.411 where: short stacking energy: -729.559 Base-Backbone interact. energy: -0.876 local terms energy: -703.835700 where: bonds (distance) C4'-P energy: -108.204 bonds (distance) P-C4' energy: -112.468 flat angles C4'-P-C4' energy: -157.387 flat angles P-C4'-P energy: -94.942 tors. eta vs tors. theta energy: -230.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1997.777144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.777144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.777144 (E_RNA) where: Base-Base interactions energy: -1380.013 where: short stacking energy: -590.480 Base-Backbone interact. energy: -2.659 local terms energy: -615.105431 where: bonds (distance) C4'-P energy: -113.521 bonds (distance) P-C4' energy: -117.666 flat angles C4'-P-C4' energy: -131.282 flat angles P-C4'-P energy: -83.869 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: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1867.787423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.787423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.787423 (E_RNA) where: Base-Base interactions energy: -1264.809 where: short stacking energy: -556.701 Base-Backbone interact. energy: 2.630 local terms energy: -605.607910 where: bonds (distance) C4'-P energy: -119.541 bonds (distance) P-C4' energy: -133.385 flat angles C4'-P-C4' energy: -135.481 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -144.498 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: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1659.823389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.823389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.823389 (E_RNA) where: Base-Base interactions energy: -1131.438 where: short stacking energy: -467.188 Base-Backbone interact. energy: -0.314 local terms energy: -528.070646 where: bonds (distance) C4'-P energy: -111.636 bonds (distance) P-C4' energy: -112.215 flat angles C4'-P-C4' energy: -115.972 flat angles P-C4'-P energy: -72.737 tors. eta vs tors. theta energy: -115.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1576.414924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.414924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.414924 (E_RNA) where: Base-Base interactions energy: -1076.734 where: short stacking energy: -475.499 Base-Backbone interact. energy: 4.115 local terms energy: -503.795755 where: bonds (distance) C4'-P energy: -90.481 bonds (distance) P-C4' energy: -112.793 flat angles C4'-P-C4' energy: -115.611 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -109.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1002.302578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.302578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.302578 (E_RNA) where: Base-Base interactions energy: -612.659 where: short stacking energy: -269.227 Base-Backbone interact. energy: 3.367 local terms energy: -393.010746 where: bonds (distance) C4'-P energy: -103.936 bonds (distance) P-C4' energy: -95.791 flat angles C4'-P-C4' energy: -102.718 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: -21.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2654.923965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.923965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.923965 (E_RNA) where: Base-Base interactions energy: -1869.658 where: short stacking energy: -774.864 Base-Backbone interact. energy: -0.461 local terms energy: -784.805280 where: bonds (distance) C4'-P energy: -131.782 bonds (distance) P-C4' energy: -148.242 flat angles C4'-P-C4' energy: -153.650 flat angles P-C4'-P energy: -111.760 tors. eta vs tors. theta energy: -239.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2598.282517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.282517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.282517 (E_RNA) where: Base-Base interactions energy: -1837.596 where: short stacking energy: -755.226 Base-Backbone interact. energy: -0.790 local terms energy: -759.896956 where: bonds (distance) C4'-P energy: -144.344 bonds (distance) P-C4' energy: -130.538 flat angles C4'-P-C4' energy: -147.286 flat angles P-C4'-P energy: -106.913 tors. eta vs tors. theta energy: -230.815 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: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2559.874296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.874296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.874296 (E_RNA) where: Base-Base interactions energy: -1803.512 where: short stacking energy: -731.668 Base-Backbone interact. energy: -1.590 local terms energy: -754.772404 where: bonds (distance) C4'-P energy: -112.909 bonds (distance) P-C4' energy: -143.171 flat angles C4'-P-C4' energy: -160.222 flat angles P-C4'-P energy: -110.117 tors. eta vs tors. theta energy: -228.353 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: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2419.389718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.389718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.389718 (E_RNA) where: Base-Base interactions energy: -1733.026 where: short stacking energy: -690.090 Base-Backbone interact. energy: -1.749 local terms energy: -684.614117 where: bonds (distance) C4'-P energy: -111.421 bonds (distance) P-C4' energy: -118.394 flat angles C4'-P-C4' energy: -150.936 flat angles P-C4'-P energy: -92.508 tors. eta vs tors. theta energy: -211.355 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: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2376.187667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.187667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.187667 (E_RNA) where: Base-Base interactions energy: -1688.869 where: short stacking energy: -705.798 Base-Backbone interact. energy: -1.063 local terms energy: -686.255778 where: bonds (distance) C4'-P energy: -126.885 bonds (distance) P-C4' energy: -111.902 flat angles C4'-P-C4' energy: -146.276 flat angles P-C4'-P energy: -74.980 tors. eta vs tors. theta energy: -226.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1983.046708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.046708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.046708 (E_RNA) where: Base-Base interactions energy: -1361.595 where: short stacking energy: -583.344 Base-Backbone interact. energy: -2.395 local terms energy: -619.056590 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -127.023 flat angles C4'-P-C4' energy: -124.020 flat angles P-C4'-P energy: -93.148 tors. eta vs tors. theta energy: -162.867 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: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1798.642988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.642988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.642988 (E_RNA) where: Base-Base interactions energy: -1238.095 where: short stacking energy: -509.922 Base-Backbone interact. energy: 0.373 local terms energy: -560.921000 where: bonds (distance) C4'-P energy: -102.708 bonds (distance) P-C4' energy: -115.870 flat angles C4'-P-C4' energy: -127.528 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -144.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1682.390257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.390257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.390257 (E_RNA) where: Base-Base interactions energy: -1137.022 where: short stacking energy: -502.810 Base-Backbone interact. energy: -3.649 local terms energy: -541.719602 where: bonds (distance) C4'-P energy: -103.806 bonds (distance) P-C4' energy: -107.474 flat angles C4'-P-C4' energy: -124.723 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -131.687 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: 9, replica: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1548.483384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.483384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.483384 (E_RNA) where: Base-Base interactions energy: -1074.249 where: short stacking energy: -417.662 Base-Backbone interact. energy: -2.460 local terms energy: -471.774208 where: bonds (distance) C4'-P energy: -86.293 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -112.816 flat angles P-C4'-P energy: -72.147 tors. eta vs tors. theta energy: -100.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -931.655327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.655327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.655327 (E_RNA) where: Base-Base interactions energy: -559.499 where: short stacking energy: -288.476 Base-Backbone interact. energy: -2.070 local terms energy: -370.086452 where: bonds (distance) C4'-P energy: -90.314 bonds (distance) P-C4' energy: -109.713 flat angles C4'-P-C4' energy: -92.614 flat angles P-C4'-P energy: -47.502 tors. eta vs tors. theta energy: -29.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2673.399610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.399610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.399610 (E_RNA) where: Base-Base interactions energy: -1881.989 where: short stacking energy: -786.001 Base-Backbone interact. energy: 0.422 local terms energy: -791.833311 where: bonds (distance) C4'-P energy: -133.348 bonds (distance) P-C4' energy: -134.685 flat angles C4'-P-C4' energy: -171.204 flat angles P-C4'-P energy: -117.563 tors. eta vs tors. theta energy: -235.033 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: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2614.769830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.769830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.769830 (E_RNA) where: Base-Base interactions energy: -1844.742 where: short stacking energy: -751.295 Base-Backbone interact. energy: -0.406 local terms energy: -769.621814 where: bonds (distance) C4'-P energy: -134.068 bonds (distance) P-C4' energy: -147.252 flat angles C4'-P-C4' energy: -160.025 flat angles P-C4'-P energy: -91.238 tors. eta vs tors. theta energy: -237.039 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: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2569.475017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.475017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.475017 (E_RNA) where: Base-Base interactions energy: -1838.689 where: short stacking energy: -735.621 Base-Backbone interact. energy: -0.156 local terms energy: -730.630362 where: bonds (distance) C4'-P energy: -121.924 bonds (distance) P-C4' energy: -114.115 flat angles C4'-P-C4' energy: -154.475 flat angles P-C4'-P energy: -103.338 tors. eta vs tors. theta energy: -236.778 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: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2402.177106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.177106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.177106 (E_RNA) where: Base-Base interactions energy: -1707.133 where: short stacking energy: -684.773 Base-Backbone interact. energy: 0.863 local terms energy: -695.906767 where: bonds (distance) C4'-P energy: -116.548 bonds (distance) P-C4' energy: -118.064 flat angles C4'-P-C4' energy: -152.064 flat angles P-C4'-P energy: -93.071 tors. eta vs tors. theta energy: -216.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2384.530988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.530988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.530988 (E_RNA) where: Base-Base interactions energy: -1667.770 where: short stacking energy: -685.835 Base-Backbone interact. energy: -1.080 local terms energy: -715.681622 where: bonds (distance) C4'-P energy: -130.879 bonds (distance) P-C4' energy: -108.064 flat angles C4'-P-C4' energy: -145.190 flat angles P-C4'-P energy: -110.576 tors. eta vs tors. theta energy: -220.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1963.832464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.832464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.832464 (E_RNA) where: Base-Base interactions energy: -1382.412 where: short stacking energy: -582.520 Base-Backbone interact. energy: -3.695 local terms energy: -577.724681 where: bonds (distance) C4'-P energy: -104.728 bonds (distance) P-C4' energy: -101.457 flat angles C4'-P-C4' energy: -124.592 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: -166.432 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: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1839.857059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.857059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.857059 (E_RNA) where: Base-Base interactions energy: -1242.762 where: short stacking energy: -524.611 Base-Backbone interact. energy: 1.763 local terms energy: -598.858767 where: bonds (distance) C4'-P energy: -128.886 bonds (distance) P-C4' energy: -126.828 flat angles C4'-P-C4' energy: -123.133 flat angles P-C4'-P energy: -79.611 tors. eta vs tors. theta energy: -140.400 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: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1766.875508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.875508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.875508 (E_RNA) where: Base-Base interactions energy: -1214.262 where: short stacking energy: -522.047 Base-Backbone interact. energy: -2.436 local terms energy: -550.177166 where: bonds (distance) C4'-P energy: -84.593 bonds (distance) P-C4' energy: -104.935 flat angles C4'-P-C4' energy: -130.281 flat angles P-C4'-P energy: -86.871 tors. eta vs tors. theta energy: -143.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1461.624124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.624124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.624124 (E_RNA) where: Base-Base interactions energy: -950.083 where: short stacking energy: -394.860 Base-Backbone interact. energy: -1.390 local terms energy: -510.151564 where: bonds (distance) C4'-P energy: -106.126 bonds (distance) P-C4' energy: -120.933 flat angles C4'-P-C4' energy: -129.669 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -93.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -986.941710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.941710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.941710 (E_RNA) where: Base-Base interactions energy: -561.445 where: short stacking energy: -278.676 Base-Backbone interact. energy: 0.412 local terms energy: -425.909214 where: bonds (distance) C4'-P energy: -123.052 bonds (distance) P-C4' energy: -105.682 flat angles C4'-P-C4' energy: -97.825 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: -49.583 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: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2638.923941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.923941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.923941 (E_RNA) where: Base-Base interactions energy: -1881.025 where: short stacking energy: -774.301 Base-Backbone interact. energy: -3.412 local terms energy: -754.486211 where: bonds (distance) C4'-P energy: -131.070 bonds (distance) P-C4' energy: -131.428 flat angles C4'-P-C4' energy: -152.294 flat angles P-C4'-P energy: -99.547 tors. eta vs tors. theta energy: -240.147 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: 228 Temperature: 0.950000 Total energy: -2604.902898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.902898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.902898 (E_RNA) where: Base-Base interactions energy: -1862.492 where: short stacking energy: -760.729 Base-Backbone interact. energy: 0.121 local terms energy: -742.531794 where: bonds (distance) C4'-P energy: -132.768 bonds (distance) P-C4' energy: -122.583 flat angles C4'-P-C4' energy: -168.385 flat angles P-C4'-P energy: -94.266 tors. eta vs tors. theta energy: -224.530 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: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2572.444131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.444131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.444131 (E_RNA) where: Base-Base interactions energy: -1834.822 where: short stacking energy: -745.572 Base-Backbone interact. energy: -1.192 local terms energy: -736.430338 where: bonds (distance) C4'-P energy: -135.509 bonds (distance) P-C4' energy: -113.105 flat angles C4'-P-C4' energy: -155.400 flat angles P-C4'-P energy: -104.646 tors. eta vs tors. theta energy: -227.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2425.908221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.908221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.908221 (E_RNA) where: Base-Base interactions energy: -1730.827 where: short stacking energy: -699.643 Base-Backbone interact. energy: 0.725 local terms energy: -695.806295 where: bonds (distance) C4'-P energy: -103.491 bonds (distance) P-C4' energy: -116.217 flat angles C4'-P-C4' energy: -152.886 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -220.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2323.327794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.327794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.327794 (E_RNA) where: Base-Base interactions energy: -1621.130 where: short stacking energy: -661.572 Base-Backbone interact. energy: 2.992 local terms energy: -705.190542 where: bonds (distance) C4'-P energy: -124.620 bonds (distance) P-C4' energy: -126.656 flat angles C4'-P-C4' energy: -145.613 flat angles P-C4'-P energy: -94.838 tors. eta vs tors. theta energy: -213.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2014.892639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.892639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.892639 (E_RNA) where: Base-Base interactions energy: -1400.601 where: short stacking energy: -588.235 Base-Backbone interact. energy: -4.322 local terms energy: -609.969195 where: bonds (distance) C4'-P energy: -124.454 bonds (distance) P-C4' energy: -119.314 flat angles C4'-P-C4' energy: -127.440 flat angles P-C4'-P energy: -78.668 tors. eta vs tors. theta energy: -160.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1843.865634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.865634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.865634 (E_RNA) where: Base-Base interactions energy: -1262.958 where: short stacking energy: -526.603 Base-Backbone interact. energy: 0.877 local terms energy: -581.784199 where: bonds (distance) C4'-P energy: -110.298 bonds (distance) P-C4' energy: -105.809 flat angles C4'-P-C4' energy: -123.942 flat angles P-C4'-P energy: -90.863 tors. eta vs tors. theta energy: -150.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1712.843098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.843098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.843098 (E_RNA) where: Base-Base interactions energy: -1183.808 where: short stacking energy: -475.259 Base-Backbone interact. energy: -1.678 local terms energy: -527.357802 where: bonds (distance) C4'-P energy: -102.724 bonds (distance) P-C4' energy: -116.321 flat angles C4'-P-C4' energy: -118.373 flat angles P-C4'-P energy: -65.106 tors. eta vs tors. theta energy: -124.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1488.203842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.203842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.203842 (E_RNA) where: Base-Base interactions energy: -996.971 where: short stacking energy: -415.703 Base-Backbone interact. energy: -2.449 local terms energy: -488.783738 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -116.055 flat angles C4'-P-C4' energy: -127.861 flat angles P-C4'-P energy: -52.691 tors. eta vs tors. theta energy: -112.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1122.897361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.897361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.897361 (E_RNA) where: Base-Base interactions energy: -706.196 where: short stacking energy: -315.979 Base-Backbone interact. energy: -1.068 local terms energy: -415.633660 where: bonds (distance) C4'-P energy: -100.547 bonds (distance) P-C4' energy: -104.876 flat angles C4'-P-C4' energy: -114.211 flat angles P-C4'-P energy: -48.760 tors. eta vs tors. theta energy: -47.240 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: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2644.083929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.083929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.083929 (E_RNA) where: Base-Base interactions energy: -1873.967 where: short stacking energy: -762.832 Base-Backbone interact. energy: -3.682 local terms energy: -766.435561 where: bonds (distance) C4'-P energy: -125.796 bonds (distance) P-C4' energy: -130.466 flat angles C4'-P-C4' energy: -160.809 flat angles P-C4'-P energy: -111.855 tors. eta vs tors. theta energy: -237.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2593.041903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.041903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.041903 (E_RNA) where: Base-Base interactions energy: -1837.648 where: short stacking energy: -752.439 Base-Backbone interact. energy: -0.674 local terms energy: -754.719708 where: bonds (distance) C4'-P energy: -136.274 bonds (distance) P-C4' energy: -134.194 flat angles C4'-P-C4' energy: -148.869 flat angles P-C4'-P energy: -98.000 tors. eta vs tors. theta energy: -237.382 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: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2578.741985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.741985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.741985 (E_RNA) where: Base-Base interactions energy: -1839.153 where: short stacking energy: -749.425 Base-Backbone interact. energy: -2.245 local terms energy: -737.344226 where: bonds (distance) C4'-P energy: -131.446 bonds (distance) P-C4' energy: -124.616 flat angles C4'-P-C4' energy: -161.412 flat angles P-C4'-P energy: -89.076 tors. eta vs tors. theta energy: -230.794 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: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2425.505898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.505898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.505898 (E_RNA) where: Base-Base interactions energy: -1743.327 where: short stacking energy: -713.260 Base-Backbone interact. energy: -0.399 local terms energy: -681.779593 where: bonds (distance) C4'-P energy: -111.012 bonds (distance) P-C4' energy: -127.284 flat angles C4'-P-C4' energy: -134.718 flat angles P-C4'-P energy: -83.941 tors. eta vs tors. theta energy: -224.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2326.263379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.263379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.263379 (E_RNA) where: Base-Base interactions energy: -1629.605 where: short stacking energy: -695.922 Base-Backbone interact. energy: 0.566 local terms energy: -697.224332 where: bonds (distance) C4'-P energy: -110.429 bonds (distance) P-C4' energy: -131.803 flat angles C4'-P-C4' energy: -150.044 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -225.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1982.389670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.389670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.389670 (E_RNA) where: Base-Base interactions energy: -1376.127 where: short stacking energy: -569.599 Base-Backbone interact. energy: -3.170 local terms energy: -603.092747 where: bonds (distance) C4'-P energy: -112.806 bonds (distance) P-C4' energy: -103.700 flat angles C4'-P-C4' energy: -131.707 flat angles P-C4'-P energy: -91.925 tors. eta vs tors. theta energy: -162.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1852.134849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.134849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.134849 (E_RNA) where: Base-Base interactions energy: -1270.096 where: short stacking energy: -562.643 Base-Backbone interact. energy: -2.331 local terms energy: -579.707787 where: bonds (distance) C4'-P energy: -97.640 bonds (distance) P-C4' energy: -105.180 flat angles C4'-P-C4' energy: -130.051 flat angles P-C4'-P energy: -81.334 tors. eta vs tors. theta energy: -165.503 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: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1756.483413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.483413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.483413 (E_RNA) where: Base-Base interactions energy: -1220.223 where: short stacking energy: -505.616 Base-Backbone interact. energy: 4.100 local terms energy: -540.360252 where: bonds (distance) C4'-P energy: -103.165 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -133.405 flat angles P-C4'-P energy: -80.182 tors. eta vs tors. theta energy: -130.991 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: 229 Temperature: 1.300000 Total energy: -1385.942768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.942768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.942768 (E_RNA) where: Base-Base interactions energy: -883.515 where: short stacking energy: -380.974 Base-Backbone interact. energy: 0.342 local terms energy: -502.769733 where: bonds (distance) C4'-P energy: -105.889 bonds (distance) P-C4' energy: -111.583 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -71.681 tors. eta vs tors. theta energy: -91.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1171.983093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.983093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.983093 (E_RNA) where: Base-Base interactions energy: -745.620 where: short stacking energy: -346.600 Base-Backbone interact. energy: -0.090 local terms energy: -426.272490 where: bonds (distance) C4'-P energy: -80.962 bonds (distance) P-C4' energy: -115.439 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -66.450 tors. eta vs tors. theta energy: -57.753 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: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2647.679399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.679399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.679399 (E_RNA) where: Base-Base interactions energy: -1870.999 where: short stacking energy: -780.656 Base-Backbone interact. energy: -0.763 local terms energy: -775.917232 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -136.174 flat angles C4'-P-C4' energy: -167.077 flat angles P-C4'-P energy: -104.831 tors. eta vs tors. theta energy: -246.678 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: 230 Temperature: 0.950000 Total energy: -2613.696237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.696237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.696237 (E_RNA) where: Base-Base interactions energy: -1840.450 where: short stacking energy: -770.076 Base-Backbone interact. energy: -1.100 local terms energy: -772.146442 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -124.069 flat angles C4'-P-C4' energy: -164.693 flat angles P-C4'-P energy: -104.893 tors. eta vs tors. theta energy: -234.964 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: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2549.418247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.418247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.418247 (E_RNA) where: Base-Base interactions energy: -1814.567 where: short stacking energy: -745.311 Base-Backbone interact. energy: 0.797 local terms energy: -735.648255 where: bonds (distance) C4'-P energy: -125.262 bonds (distance) P-C4' energy: -125.610 flat angles C4'-P-C4' energy: -156.479 flat angles P-C4'-P energy: -104.396 tors. eta vs tors. theta energy: -223.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2402.687513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.687513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.687513 (E_RNA) where: Base-Base interactions energy: -1714.686 where: short stacking energy: -709.920 Base-Backbone interact. energy: -0.612 local terms energy: -687.389088 where: bonds (distance) C4'-P energy: -122.810 bonds (distance) P-C4' energy: -112.081 flat angles C4'-P-C4' energy: -154.309 flat angles P-C4'-P energy: -90.764 tors. eta vs tors. theta energy: -207.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2336.439544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.439544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.439544 (E_RNA) where: Base-Base interactions energy: -1657.245 where: short stacking energy: -713.921 Base-Backbone interact. energy: -1.467 local terms energy: -677.728325 where: bonds (distance) C4'-P energy: -116.648 bonds (distance) P-C4' energy: -108.934 flat angles C4'-P-C4' energy: -151.454 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -220.485 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: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1989.263187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.263187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.263187 (E_RNA) where: Base-Base interactions energy: -1379.759 where: short stacking energy: -604.357 Base-Backbone interact. energy: -0.376 local terms energy: -609.128782 where: bonds (distance) C4'-P energy: -107.780 bonds (distance) P-C4' energy: -127.067 flat angles C4'-P-C4' energy: -133.320 flat angles P-C4'-P energy: -89.055 tors. eta vs tors. theta energy: -151.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1857.019467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.019467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.019467 (E_RNA) where: Base-Base interactions energy: -1273.060 where: short stacking energy: -547.085 Base-Backbone interact. energy: 0.759 local terms energy: -584.718296 where: bonds (distance) C4'-P energy: -105.139 bonds (distance) P-C4' energy: -123.809 flat angles C4'-P-C4' energy: -130.393 flat angles P-C4'-P energy: -72.236 tors. eta vs tors. theta energy: -153.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1828.247233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.247233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.247233 (E_RNA) where: Base-Base interactions energy: -1266.049 where: short stacking energy: -510.293 Base-Backbone interact. energy: 2.462 local terms energy: -564.659530 where: bonds (distance) C4'-P energy: -120.968 bonds (distance) P-C4' energy: -102.757 flat angles C4'-P-C4' energy: -134.013 flat angles P-C4'-P energy: -76.935 tors. eta vs tors. theta energy: -129.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1459.777603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.777603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.777603 (E_RNA) where: Base-Base interactions energy: -974.784 where: short stacking energy: -402.915 Base-Backbone interact. energy: 1.862 local terms energy: -486.855642 where: bonds (distance) C4'-P energy: -112.164 bonds (distance) P-C4' energy: -94.049 flat angles C4'-P-C4' energy: -116.475 flat angles P-C4'-P energy: -64.126 tors. eta vs tors. theta energy: -100.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1157.575210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.575210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.575210 (E_RNA) where: Base-Base interactions energy: -746.429 where: short stacking energy: -326.348 Base-Backbone interact. energy: -0.462 local terms energy: -410.684125 where: bonds (distance) C4'-P energy: -99.198 bonds (distance) P-C4' energy: -104.438 flat angles C4'-P-C4' energy: -107.791 flat angles P-C4'-P energy: -52.657 tors. eta vs tors. theta energy: -46.601 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: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2651.604500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.604500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.604500 (E_RNA) where: Base-Base interactions energy: -1869.983 where: short stacking energy: -756.427 Base-Backbone interact. energy: 2.309 local terms energy: -783.931081 where: bonds (distance) C4'-P energy: -138.035 bonds (distance) P-C4' energy: -137.936 flat angles C4'-P-C4' energy: -157.689 flat angles P-C4'-P energy: -108.133 tors. eta vs tors. theta energy: -242.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2619.415768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.415768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.415768 (E_RNA) where: Base-Base interactions energy: -1841.718 where: short stacking energy: -749.843 Base-Backbone interact. energy: -0.192 local terms energy: -777.505051 where: bonds (distance) C4'-P energy: -137.303 bonds (distance) P-C4' energy: -144.332 flat angles C4'-P-C4' energy: -160.667 flat angles P-C4'-P energy: -97.308 tors. eta vs tors. theta energy: -237.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2557.089296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.089296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.089296 (E_RNA) where: Base-Base interactions energy: -1817.878 where: short stacking energy: -754.712 Base-Backbone interact. energy: -1.048 local terms energy: -738.164109 where: bonds (distance) C4'-P energy: -122.416 bonds (distance) P-C4' energy: -128.905 flat angles C4'-P-C4' energy: -147.872 flat angles P-C4'-P energy: -109.988 tors. eta vs tors. theta energy: -228.984 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: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2410.287824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.287824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.287824 (E_RNA) where: Base-Base interactions energy: -1694.116 where: short stacking energy: -700.111 Base-Backbone interact. energy: -1.091 local terms energy: -715.081290 where: bonds (distance) C4'-P energy: -115.705 bonds (distance) P-C4' energy: -131.022 flat angles C4'-P-C4' energy: -152.610 flat angles P-C4'-P energy: -93.450 tors. eta vs tors. theta energy: -222.294 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: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2340.932521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.932521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.932521 (E_RNA) where: Base-Base interactions energy: -1635.023 where: short stacking energy: -674.330 Base-Backbone interact. energy: 3.499 local terms energy: -709.407983 where: bonds (distance) C4'-P energy: -121.309 bonds (distance) P-C4' energy: -114.278 flat angles C4'-P-C4' energy: -145.539 flat angles P-C4'-P energy: -105.909 tors. eta vs tors. theta energy: -222.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2048.872218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.872218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.872218 (E_RNA) where: Base-Base interactions energy: -1415.762 where: short stacking energy: -604.870 Base-Backbone interact. energy: -2.012 local terms energy: -631.097930 where: bonds (distance) C4'-P energy: -117.048 bonds (distance) P-C4' energy: -117.140 flat angles C4'-P-C4' energy: -143.102 flat angles P-C4'-P energy: -81.414 tors. eta vs tors. theta energy: -172.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1897.491991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.491991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.491991 (E_RNA) where: Base-Base interactions energy: -1271.331 where: short stacking energy: -561.606 Base-Backbone interact. energy: -0.226 local terms energy: -625.935249 where: bonds (distance) C4'-P energy: -113.710 bonds (distance) P-C4' energy: -133.063 flat angles C4'-P-C4' energy: -113.865 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -170.199 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: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1880.938065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.938065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.938065 (E_RNA) where: Base-Base interactions energy: -1317.071 where: short stacking energy: -541.727 Base-Backbone interact. energy: -2.326 local terms energy: -561.541140 where: bonds (distance) C4'-P energy: -101.879 bonds (distance) P-C4' energy: -108.459 flat angles C4'-P-C4' energy: -98.780 flat angles P-C4'-P energy: -97.345 tors. eta vs tors. theta energy: -155.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1478.598040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.598040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.598040 (E_RNA) where: Base-Base interactions energy: -979.347 where: short stacking energy: -421.390 Base-Backbone interact. energy: -2.466 local terms energy: -496.785793 where: bonds (distance) C4'-P energy: -115.223 bonds (distance) P-C4' energy: -108.317 flat angles C4'-P-C4' energy: -114.844 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -102.136 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: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1079.024442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.024442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.024442 (E_RNA) where: Base-Base interactions energy: -658.375 where: short stacking energy: -304.162 Base-Backbone interact. energy: 2.508 local terms energy: -423.157492 where: bonds (distance) C4'-P energy: -99.643 bonds (distance) P-C4' energy: -118.220 flat angles C4'-P-C4' energy: -98.853 flat angles P-C4'-P energy: -78.649 tors. eta vs tors. theta energy: -27.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2675.187675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.187675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.187675 (E_RNA) where: Base-Base interactions energy: -1901.818 where: short stacking energy: -766.875 Base-Backbone interact. energy: 0.147 local terms energy: -773.517170 where: bonds (distance) C4'-P energy: -138.072 bonds (distance) P-C4' energy: -139.380 flat angles C4'-P-C4' energy: -154.734 flat angles P-C4'-P energy: -106.234 tors. eta vs tors. theta energy: -235.098 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: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2602.273751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.273751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.273751 (E_RNA) where: Base-Base interactions energy: -1860.833 where: short stacking energy: -793.095 Base-Backbone interact. energy: -0.652 local terms energy: -740.789203 where: bonds (distance) C4'-P energy: -121.123 bonds (distance) P-C4' energy: -123.509 flat angles C4'-P-C4' energy: -155.404 flat angles P-C4'-P energy: -99.278 tors. eta vs tors. theta energy: -241.476 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: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2543.472025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.472025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.472025 (E_RNA) where: Base-Base interactions energy: -1799.642 where: short stacking energy: -739.098 Base-Backbone interact. energy: 0.207 local terms energy: -744.037687 where: bonds (distance) C4'-P energy: -111.312 bonds (distance) P-C4' energy: -132.943 flat angles C4'-P-C4' energy: -152.011 flat angles P-C4'-P energy: -115.262 tors. eta vs tors. theta energy: -232.510 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: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2452.257319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.257319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.257319 (E_RNA) where: Base-Base interactions energy: -1717.428 where: short stacking energy: -710.692 Base-Backbone interact. energy: -2.030 local terms energy: -732.799924 where: bonds (distance) C4'-P energy: -132.234 bonds (distance) P-C4' energy: -124.240 flat angles C4'-P-C4' energy: -156.457 flat angles P-C4'-P energy: -92.641 tors. eta vs tors. theta energy: -227.227 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: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2378.325683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.325683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.325683 (E_RNA) where: Base-Base interactions energy: -1685.662 where: short stacking energy: -709.969 Base-Backbone interact. energy: 0.036 local terms energy: -692.699919 where: bonds (distance) C4'-P energy: -121.649 bonds (distance) P-C4' energy: -114.366 flat angles C4'-P-C4' energy: -143.385 flat angles P-C4'-P energy: -85.126 tors. eta vs tors. theta energy: -228.174 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: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2057.498907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.498907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.498907 (E_RNA) where: Base-Base interactions energy: -1450.662 where: short stacking energy: -585.059 Base-Backbone interact. energy: -2.019 local terms energy: -604.818388 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -112.322 flat angles C4'-P-C4' energy: -140.599 flat angles P-C4'-P energy: -85.600 tors. eta vs tors. theta energy: -159.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1972.415211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.415211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.415211 (E_RNA) where: Base-Base interactions energy: -1372.201 where: short stacking energy: -597.155 Base-Backbone interact. energy: -1.163 local terms energy: -599.051086 where: bonds (distance) C4'-P energy: -106.278 bonds (distance) P-C4' energy: -120.490 flat angles C4'-P-C4' energy: -119.445 flat angles P-C4'-P energy: -92.277 tors. eta vs tors. theta energy: -160.561 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: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1863.681276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.681276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.681276 (E_RNA) where: Base-Base interactions energy: -1264.892 where: short stacking energy: -550.403 Base-Backbone interact. energy: 1.892 local terms energy: -600.680855 where: bonds (distance) C4'-P energy: -112.608 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -115.651 flat angles P-C4'-P energy: -89.569 tors. eta vs tors. theta energy: -165.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1440.806041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.806041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.806041 (E_RNA) where: Base-Base interactions energy: -933.370 where: short stacking energy: -398.480 Base-Backbone interact. energy: -2.256 local terms energy: -505.179847 where: bonds (distance) C4'-P energy: -115.556 bonds (distance) P-C4' energy: -110.160 flat angles C4'-P-C4' energy: -117.622 flat angles P-C4'-P energy: -57.515 tors. eta vs tors. theta energy: -104.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1111.392203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.392203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.392203 (E_RNA) where: Base-Base interactions energy: -687.769 where: short stacking energy: -304.662 Base-Backbone interact. energy: -1.140 local terms energy: -422.482903 where: bonds (distance) C4'-P energy: -111.061 bonds (distance) P-C4' energy: -98.803 flat angles C4'-P-C4' energy: -127.452 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: -35.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2670.108841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.108841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.108841 (E_RNA) where: Base-Base interactions energy: -1907.605 where: short stacking energy: -794.722 Base-Backbone interact. energy: -0.558 local terms energy: -761.945351 where: bonds (distance) C4'-P energy: -131.355 bonds (distance) P-C4' energy: -133.865 flat angles C4'-P-C4' energy: -159.910 flat angles P-C4'-P energy: -102.347 tors. eta vs tors. theta energy: -234.469 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: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2601.999085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.999085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.999085 (E_RNA) where: Base-Base interactions energy: -1857.250 where: short stacking energy: -752.240 Base-Backbone interact. energy: -0.300 local terms energy: -744.449672 where: bonds (distance) C4'-P energy: -121.442 bonds (distance) P-C4' energy: -123.165 flat angles C4'-P-C4' energy: -158.140 flat angles P-C4'-P energy: -109.337 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: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2587.947406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.947406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.947406 (E_RNA) where: Base-Base interactions energy: -1842.475 where: short stacking energy: -779.074 Base-Backbone interact. energy: -1.025 local terms energy: -744.447216 where: bonds (distance) C4'-P energy: -119.716 bonds (distance) P-C4' energy: -127.594 flat angles C4'-P-C4' energy: -154.946 flat angles P-C4'-P energy: -112.450 tors. eta vs tors. theta energy: -229.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2445.852097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.852097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.852097 (E_RNA) where: Base-Base interactions energy: -1721.917 where: short stacking energy: -702.534 Base-Backbone interact. energy: 0.800 local terms energy: -724.734825 where: bonds (distance) C4'-P energy: -128.746 bonds (distance) P-C4' energy: -128.864 flat angles C4'-P-C4' energy: -140.561 flat angles P-C4'-P energy: -95.794 tors. eta vs tors. theta energy: -230.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2393.165060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.165060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.165060 (E_RNA) where: Base-Base interactions energy: -1738.539 where: short stacking energy: -718.321 Base-Backbone interact. energy: -0.106 local terms energy: -654.519939 where: bonds (distance) C4'-P energy: -118.408 bonds (distance) P-C4' energy: -91.855 flat angles C4'-P-C4' energy: -135.673 flat angles P-C4'-P energy: -94.790 tors. eta vs tors. theta energy: -213.794 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: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2099.465075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.465075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.465075 (E_RNA) where: Base-Base interactions energy: -1480.556 where: short stacking energy: -604.121 Base-Backbone interact. energy: -2.402 local terms energy: -616.506620 where: bonds (distance) C4'-P energy: -106.735 bonds (distance) P-C4' energy: -131.625 flat angles C4'-P-C4' energy: -124.304 flat angles P-C4'-P energy: -87.846 tors. eta vs tors. theta energy: -165.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1949.338750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.338750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.338750 (E_RNA) where: Base-Base interactions energy: -1358.514 where: short stacking energy: -575.442 Base-Backbone interact. energy: -2.337 local terms energy: -588.487957 where: bonds (distance) C4'-P energy: -110.527 bonds (distance) P-C4' energy: -109.826 flat angles C4'-P-C4' energy: -127.928 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: -157.003 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: 233 Temperature: 1.250000 Total energy: -1842.351708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.351708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.351708 (E_RNA) where: Base-Base interactions energy: -1246.352 where: short stacking energy: -539.630 Base-Backbone interact. energy: -1.990 local terms energy: -594.009999 where: bonds (distance) C4'-P energy: -100.411 bonds (distance) P-C4' energy: -114.283 flat angles C4'-P-C4' energy: -130.888 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -165.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1380.528396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.528396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.528396 (E_RNA) where: Base-Base interactions energy: -930.806 where: short stacking energy: -403.217 Base-Backbone interact. energy: 2.446 local terms energy: -452.168836 where: bonds (distance) C4'-P energy: -106.440 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -102.364 flat angles P-C4'-P energy: -56.569 tors. eta vs tors. theta energy: -72.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1124.453934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.453934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.453934 (E_RNA) where: Base-Base interactions energy: -707.933 where: short stacking energy: -313.174 Base-Backbone interact. energy: 2.989 local terms energy: -419.510131 where: bonds (distance) C4'-P energy: -98.813 bonds (distance) P-C4' energy: -110.951 flat angles C4'-P-C4' energy: -108.083 flat angles P-C4'-P energy: -53.920 tors. eta vs tors. theta energy: -47.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2644.525632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.525632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.525632 (E_RNA) where: Base-Base interactions energy: -1870.671 where: short stacking energy: -764.412 Base-Backbone interact. energy: -2.692 local terms energy: -771.163277 where: bonds (distance) C4'-P energy: -125.089 bonds (distance) P-C4' energy: -134.070 flat angles C4'-P-C4' energy: -162.978 flat angles P-C4'-P energy: -114.428 tors. eta vs tors. theta energy: -234.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2625.498592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.498592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.498592 (E_RNA) where: Base-Base interactions energy: -1871.312 where: short stacking energy: -760.500 Base-Backbone interact. energy: -0.530 local terms energy: -753.657190 where: bonds (distance) C4'-P energy: -124.919 bonds (distance) P-C4' energy: -130.152 flat angles C4'-P-C4' energy: -160.407 flat angles P-C4'-P energy: -114.833 tors. eta vs tors. theta energy: -223.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2565.327195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.327195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.327195 (E_RNA) where: Base-Base interactions energy: -1821.690 where: short stacking energy: -760.945 Base-Backbone interact. energy: -3.199 local terms energy: -740.437800 where: bonds (distance) C4'-P energy: -126.125 bonds (distance) P-C4' energy: -115.029 flat angles C4'-P-C4' energy: -159.605 flat angles P-C4'-P energy: -100.379 tors. eta vs tors. theta energy: -239.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2431.259998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.259998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.259998 (E_RNA) where: Base-Base interactions energy: -1704.885 where: short stacking energy: -717.949 Base-Backbone interact. energy: -1.430 local terms energy: -724.944286 where: bonds (distance) C4'-P energy: -120.846 bonds (distance) P-C4' energy: -127.862 flat angles C4'-P-C4' energy: -146.704 flat angles P-C4'-P energy: -108.955 tors. eta vs tors. theta energy: -220.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2391.944387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.944387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.944387 (E_RNA) where: Base-Base interactions energy: -1668.899 where: short stacking energy: -704.709 Base-Backbone interact. energy: -2.133 local terms energy: -720.912182 where: bonds (distance) C4'-P energy: -133.714 bonds (distance) P-C4' energy: -132.113 flat angles C4'-P-C4' energy: -139.116 flat angles P-C4'-P energy: -99.320 tors. eta vs tors. theta energy: -216.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2030.778271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.778271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.778271 (E_RNA) where: Base-Base interactions energy: -1406.820 where: short stacking energy: -590.904 Base-Backbone interact. energy: -2.288 local terms energy: -621.669933 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -126.865 flat angles C4'-P-C4' energy: -128.613 flat angles P-C4'-P energy: -96.736 tors. eta vs tors. theta energy: -169.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1998.331109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.331109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.331109 (E_RNA) where: Base-Base interactions energy: -1399.907 where: short stacking energy: -589.554 Base-Backbone interact. energy: -2.934 local terms energy: -595.489695 where: bonds (distance) C4'-P energy: -104.461 bonds (distance) P-C4' energy: -114.794 flat angles C4'-P-C4' energy: -136.848 flat angles P-C4'-P energy: -65.360 tors. eta vs tors. theta energy: -174.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1872.338704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.338704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.338704 (E_RNA) where: Base-Base interactions energy: -1274.673 where: short stacking energy: -564.479 Base-Backbone interact. energy: -2.771 local terms energy: -594.894690 where: bonds (distance) C4'-P energy: -106.914 bonds (distance) P-C4' energy: -106.864 flat angles C4'-P-C4' energy: -139.181 flat angles P-C4'-P energy: -84.752 tors. eta vs tors. theta energy: -157.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1420.135478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.135478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.135478 (E_RNA) where: Base-Base interactions energy: -913.700 where: short stacking energy: -417.441 Base-Backbone interact. energy: -0.974 local terms energy: -505.461127 where: bonds (distance) C4'-P energy: -116.288 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -127.344 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -90.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1128.947111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.947111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.947111 (E_RNA) where: Base-Base interactions energy: -742.052 where: short stacking energy: -321.609 Base-Backbone interact. energy: -1.211 local terms energy: -385.683939 where: bonds (distance) C4'-P energy: -100.915 bonds (distance) P-C4' energy: -86.651 flat angles C4'-P-C4' energy: -93.941 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: -43.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2654.941091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.941091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.941091 (E_RNA) where: Base-Base interactions energy: -1867.730 where: short stacking energy: -790.716 Base-Backbone interact. energy: 1.300 local terms energy: -788.510890 where: bonds (distance) C4'-P energy: -135.574 bonds (distance) P-C4' energy: -142.832 flat angles C4'-P-C4' energy: -160.901 flat angles P-C4'-P energy: -109.281 tors. eta vs tors. theta energy: -239.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2595.420700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.420700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.420700 (E_RNA) where: Base-Base interactions energy: -1842.452 where: short stacking energy: -739.914 Base-Backbone interact. energy: -0.323 local terms energy: -752.645478 where: bonds (distance) C4'-P energy: -124.411 bonds (distance) P-C4' energy: -140.633 flat angles C4'-P-C4' energy: -158.421 flat angles P-C4'-P energy: -97.225 tors. eta vs tors. theta energy: -231.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2563.938259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.938259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.938259 (E_RNA) where: Base-Base interactions energy: -1842.596 where: short stacking energy: -772.515 Base-Backbone interact. energy: 0.018 local terms energy: -721.359818 where: bonds (distance) C4'-P energy: -122.021 bonds (distance) P-C4' energy: -113.556 flat angles C4'-P-C4' energy: -144.512 flat angles P-C4'-P energy: -105.973 tors. eta vs tors. theta energy: -235.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2438.872152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.872152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.872152 (E_RNA) where: Base-Base interactions energy: -1734.095 where: short stacking energy: -719.657 Base-Backbone interact. energy: -2.416 local terms energy: -702.360628 where: bonds (distance) C4'-P energy: -113.947 bonds (distance) P-C4' energy: -111.799 flat angles C4'-P-C4' energy: -150.333 flat angles P-C4'-P energy: -98.182 tors. eta vs tors. theta energy: -228.100 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: 235 Temperature: 1.100000 Total energy: -2360.229961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.229961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.229961 (E_RNA) where: Base-Base interactions energy: -1655.755 where: short stacking energy: -680.690 Base-Backbone interact. energy: 8.916 local terms energy: -713.391432 where: bonds (distance) C4'-P energy: -110.614 bonds (distance) P-C4' energy: -135.140 flat angles C4'-P-C4' energy: -152.348 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -219.019 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: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2005.982267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.982267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.982267 (E_RNA) where: Base-Base interactions energy: -1377.780 where: short stacking energy: -592.769 Base-Backbone interact. energy: -4.637 local terms energy: -623.565122 where: bonds (distance) C4'-P energy: -116.063 bonds (distance) P-C4' energy: -113.614 flat angles C4'-P-C4' energy: -139.621 flat angles P-C4'-P energy: -98.245 tors. eta vs tors. theta energy: -156.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2008.080514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.080514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.080514 (E_RNA) where: Base-Base interactions energy: -1404.081 where: short stacking energy: -579.854 Base-Backbone interact. energy: -0.813 local terms energy: -603.186700 where: bonds (distance) C4'-P energy: -113.512 bonds (distance) P-C4' energy: -113.983 flat angles C4'-P-C4' energy: -142.142 flat angles P-C4'-P energy: -80.210 tors. eta vs tors. theta energy: -153.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1761.213106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.213106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.213106 (E_RNA) where: Base-Base interactions energy: -1189.146 where: short stacking energy: -527.604 Base-Backbone interact. energy: -1.094 local terms energy: -570.973127 where: bonds (distance) C4'-P energy: -118.106 bonds (distance) P-C4' energy: -103.833 flat angles C4'-P-C4' energy: -125.197 flat angles P-C4'-P energy: -82.862 tors. eta vs tors. theta energy: -140.976 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: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1368.637887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.637887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.637887 (E_RNA) where: Base-Base interactions energy: -917.771 where: short stacking energy: -418.921 Base-Backbone interact. energy: 3.599 local terms energy: -454.465597 where: bonds (distance) C4'-P energy: -94.573 bonds (distance) P-C4' energy: -106.357 flat angles C4'-P-C4' energy: -103.254 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -88.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1108.551537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.551537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.551537 (E_RNA) where: Base-Base interactions energy: -700.537 where: short stacking energy: -323.997 Base-Backbone interact. energy: 1.529 local terms energy: -409.543761 where: bonds (distance) C4'-P energy: -95.720 bonds (distance) P-C4' energy: -112.457 flat angles C4'-P-C4' energy: -95.639 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: -44.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2670.718289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.718289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.718289 (E_RNA) where: Base-Base interactions energy: -1882.829 where: short stacking energy: -781.066 Base-Backbone interact. energy: -1.405 local terms energy: -786.484912 where: bonds (distance) C4'-P energy: -143.964 bonds (distance) P-C4' energy: -142.042 flat angles C4'-P-C4' energy: -152.307 flat angles P-C4'-P energy: -105.594 tors. eta vs tors. theta energy: -242.578 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: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2618.818113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.818113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.818113 (E_RNA) where: Base-Base interactions energy: -1847.972 where: short stacking energy: -747.883 Base-Backbone interact. energy: -1.627 local terms energy: -769.219606 where: bonds (distance) C4'-P energy: -129.812 bonds (distance) P-C4' energy: -131.171 flat angles C4'-P-C4' energy: -160.122 flat angles P-C4'-P energy: -111.870 tors. eta vs tors. theta energy: -236.245 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: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2527.599617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.599617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.599617 (E_RNA) where: Base-Base interactions energy: -1822.755 where: short stacking energy: -751.387 Base-Backbone interact. energy: -2.270 local terms energy: -702.574910 where: bonds (distance) C4'-P energy: -110.314 bonds (distance) P-C4' energy: -116.900 flat angles C4'-P-C4' energy: -150.711 flat angles P-C4'-P energy: -95.165 tors. eta vs tors. theta energy: -229.485 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: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2437.585055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.585055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.585055 (E_RNA) where: Base-Base interactions energy: -1740.388 where: short stacking energy: -735.189 Base-Backbone interact. energy: -0.947 local terms energy: -696.250918 where: bonds (distance) C4'-P energy: -117.051 bonds (distance) P-C4' energy: -107.398 flat angles C4'-P-C4' energy: -146.666 flat angles P-C4'-P energy: -93.232 tors. eta vs tors. theta energy: -231.903 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: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2402.420769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.420769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.420769 (E_RNA) where: Base-Base interactions energy: -1686.890 where: short stacking energy: -712.609 Base-Backbone interact. energy: -2.232 local terms energy: -713.299010 where: bonds (distance) C4'-P energy: -115.391 bonds (distance) P-C4' energy: -134.305 flat angles C4'-P-C4' energy: -151.512 flat angles P-C4'-P energy: -104.606 tors. eta vs tors. theta energy: -207.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2007.815531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.815531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.815531 (E_RNA) where: Base-Base interactions energy: -1390.653 where: short stacking energy: -592.829 Base-Backbone interact. energy: -0.324 local terms energy: -616.838914 where: bonds (distance) C4'-P energy: -117.318 bonds (distance) P-C4' energy: -119.279 flat angles C4'-P-C4' energy: -137.088 flat angles P-C4'-P energy: -77.334 tors. eta vs tors. theta energy: -165.820 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: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2043.377504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.377504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.377504 (E_RNA) where: Base-Base interactions energy: -1420.300 where: short stacking energy: -571.613 Base-Backbone interact. energy: -0.335 local terms energy: -622.742627 where: bonds (distance) C4'-P energy: -124.028 bonds (distance) P-C4' energy: -121.175 flat angles C4'-P-C4' energy: -132.593 flat angles P-C4'-P energy: -84.396 tors. eta vs tors. theta energy: -160.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1799.637851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.637851 (E_RNA) where: Base-Base interactions energy: -1218.867 where: short stacking energy: -513.379 Base-Backbone interact. energy: -2.114 local terms energy: -578.656283 where: bonds (distance) C4'-P energy: -105.278 bonds (distance) P-C4' energy: -116.100 flat angles C4'-P-C4' energy: -129.197 flat angles P-C4'-P energy: -80.002 tors. eta vs tors. theta energy: -148.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1338.173738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.173738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.173738 (E_RNA) where: Base-Base interactions energy: -850.648 where: short stacking energy: -404.408 Base-Backbone interact. energy: -0.329 local terms energy: -487.196518 where: bonds (distance) C4'-P energy: -104.594 bonds (distance) P-C4' energy: -127.265 flat angles C4'-P-C4' energy: -111.349 flat angles P-C4'-P energy: -67.218 tors. eta vs tors. theta energy: -76.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1147.726256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.726256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.726256 (E_RNA) where: Base-Base interactions energy: -729.565 where: short stacking energy: -320.034 Base-Backbone interact. energy: 8.263 local terms energy: -426.424132 where: bonds (distance) C4'-P energy: -113.826 bonds (distance) P-C4' energy: -106.755 flat angles C4'-P-C4' energy: -90.940 flat angles P-C4'-P energy: -60.039 tors. eta vs tors. theta energy: -54.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2646.427653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.427653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.427653 (E_RNA) where: Base-Base interactions energy: -1874.508 where: short stacking energy: -764.348 Base-Backbone interact. energy: 1.600 local terms energy: -773.519293 where: bonds (distance) C4'-P energy: -131.781 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -152.299 flat angles P-C4'-P energy: -105.679 tors. eta vs tors. theta energy: -243.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2617.500278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.500278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.500278 (E_RNA) where: Base-Base interactions energy: -1826.971 where: short stacking energy: -772.038 Base-Backbone interact. energy: -2.570 local terms energy: -787.959101 where: bonds (distance) C4'-P energy: -143.085 bonds (distance) P-C4' energy: -133.581 flat angles C4'-P-C4' energy: -163.263 flat angles P-C4'-P energy: -110.342 tors. eta vs tors. theta energy: -237.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2551.214725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.214725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.214725 (E_RNA) where: Base-Base interactions energy: -1820.566 where: short stacking energy: -754.689 Base-Backbone interact. energy: -0.492 local terms energy: -730.157421 where: bonds (distance) C4'-P energy: -127.920 bonds (distance) P-C4' energy: -133.198 flat angles C4'-P-C4' energy: -153.888 flat angles P-C4'-P energy: -91.177 tors. eta vs tors. theta energy: -223.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2451.304074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.304074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.304074 (E_RNA) where: Base-Base interactions energy: -1709.960 where: short stacking energy: -725.727 Base-Backbone interact. energy: -1.882 local terms energy: -739.462349 where: bonds (distance) C4'-P energy: -118.091 bonds (distance) P-C4' energy: -130.446 flat angles C4'-P-C4' energy: -160.578 flat angles P-C4'-P energy: -97.598 tors. eta vs tors. theta energy: -232.749 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: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2390.049579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.049579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.049579 (E_RNA) where: Base-Base interactions energy: -1702.762 where: short stacking energy: -698.734 Base-Backbone interact. energy: -2.341 local terms energy: -684.946748 where: bonds (distance) C4'-P energy: -105.710 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -135.905 flat angles P-C4'-P energy: -90.356 tors. eta vs tors. theta energy: -213.935 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: 237 Temperature: 1.150000 Total energy: -2145.674554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.674554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.674554 (E_RNA) where: Base-Base interactions energy: -1520.848 where: short stacking energy: -612.373 Base-Backbone interact. energy: -0.732 local terms energy: -624.094359 where: bonds (distance) C4'-P energy: -101.856 bonds (distance) P-C4' energy: -119.826 flat angles C4'-P-C4' energy: -140.242 flat angles P-C4'-P energy: -74.781 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: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1958.649765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.649765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.649765 (E_RNA) where: Base-Base interactions energy: -1375.243 where: short stacking energy: -589.440 Base-Backbone interact. energy: -1.177 local terms energy: -582.230556 where: bonds (distance) C4'-P energy: -90.664 bonds (distance) P-C4' energy: -123.164 flat angles C4'-P-C4' energy: -125.197 flat angles P-C4'-P energy: -74.148 tors. eta vs tors. theta energy: -169.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1812.998073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.998073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.998073 (E_RNA) where: Base-Base interactions energy: -1232.409 where: short stacking energy: -507.279 Base-Backbone interact. energy: -2.232 local terms energy: -578.357023 where: bonds (distance) C4'-P energy: -112.287 bonds (distance) P-C4' energy: -112.348 flat angles C4'-P-C4' energy: -124.658 flat angles P-C4'-P energy: -84.179 tors. eta vs tors. theta energy: -144.885 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: 237 Temperature: 1.300000 Total energy: -1363.003034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.003034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.003034 (E_RNA) where: Base-Base interactions energy: -876.750 where: short stacking energy: -415.937 Base-Backbone interact. energy: -0.532 local terms energy: -485.721215 where: bonds (distance) C4'-P energy: -101.351 bonds (distance) P-C4' energy: -104.544 flat angles C4'-P-C4' energy: -114.972 flat angles P-C4'-P energy: -66.038 tors. eta vs tors. theta energy: -98.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1134.565553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.565553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.565553 (E_RNA) where: Base-Base interactions energy: -711.442 where: short stacking energy: -333.470 Base-Backbone interact. energy: -4.646 local terms energy: -418.477252 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -110.640 flat angles C4'-P-C4' energy: -123.381 flat angles P-C4'-P energy: -65.074 tors. eta vs tors. theta energy: -39.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2653.005820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.005820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.005820 (E_RNA) where: Base-Base interactions energy: -1850.529 where: short stacking energy: -754.722 Base-Backbone interact. energy: -1.953 local terms energy: -800.523237 where: bonds (distance) C4'-P energy: -147.776 bonds (distance) P-C4' energy: -141.046 flat angles C4'-P-C4' energy: -163.494 flat angles P-C4'-P energy: -109.097 tors. eta vs tors. theta energy: -239.111 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: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2597.059991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.059991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.059991 (E_RNA) where: Base-Base interactions energy: -1831.519 where: short stacking energy: -786.765 Base-Backbone interact. energy: -0.440 local terms energy: -765.100389 where: bonds (distance) C4'-P energy: -133.393 bonds (distance) P-C4' energy: -113.133 flat angles C4'-P-C4' energy: -165.711 flat angles P-C4'-P energy: -107.783 tors. eta vs tors. theta energy: -245.080 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: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2537.922732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.922732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.922732 (E_RNA) where: Base-Base interactions energy: -1803.923 where: short stacking energy: -737.800 Base-Backbone interact. energy: -2.328 local terms energy: -731.671763 where: bonds (distance) C4'-P energy: -116.338 bonds (distance) P-C4' energy: -133.677 flat angles C4'-P-C4' energy: -144.710 flat angles P-C4'-P energy: -109.739 tors. eta vs tors. theta energy: -227.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2441.126838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.126838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.126838 (E_RNA) where: Base-Base interactions energy: -1730.078 where: short stacking energy: -734.100 Base-Backbone interact. energy: -0.597 local terms energy: -710.451577 where: bonds (distance) C4'-P energy: -115.419 bonds (distance) P-C4' energy: -137.052 flat angles C4'-P-C4' energy: -144.156 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -224.094 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: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2422.672342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.672342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.672342 (E_RNA) where: Base-Base interactions energy: -1721.836 where: short stacking energy: -718.549 Base-Backbone interact. energy: -1.116 local terms energy: -699.720738 where: bonds (distance) C4'-P energy: -100.140 bonds (distance) P-C4' energy: -122.240 flat angles C4'-P-C4' energy: -148.843 flat angles P-C4'-P energy: -106.212 tors. eta vs tors. theta energy: -222.287 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: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2174.912674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.912674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.912674 (E_RNA) where: Base-Base interactions energy: -1526.617 where: short stacking energy: -600.541 Base-Backbone interact. energy: -3.799 local terms energy: -644.497056 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -117.084 flat angles C4'-P-C4' energy: -131.926 flat angles P-C4'-P energy: -94.408 tors. eta vs tors. theta energy: -180.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1907.892136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.892136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.892136 (E_RNA) where: Base-Base interactions energy: -1306.210 where: short stacking energy: -563.698 Base-Backbone interact. energy: -1.764 local terms energy: -599.918318 where: bonds (distance) C4'-P energy: -111.700 bonds (distance) P-C4' energy: -111.591 flat angles C4'-P-C4' energy: -136.777 flat angles P-C4'-P energy: -83.023 tors. eta vs tors. theta energy: -156.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1938.595013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.595013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.595013 (E_RNA) where: Base-Base interactions energy: -1332.524 where: short stacking energy: -574.692 Base-Backbone interact. energy: -3.613 local terms energy: -602.458565 where: bonds (distance) C4'-P energy: -111.233 bonds (distance) P-C4' energy: -114.987 flat angles C4'-P-C4' energy: -126.884 flat angles P-C4'-P energy: -91.890 tors. eta vs tors. theta energy: -157.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1383.482910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.482910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.482910 (E_RNA) where: Base-Base interactions energy: -859.834 where: short stacking energy: -363.355 Base-Backbone interact. energy: -0.980 local terms energy: -522.669539 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -112.039 flat angles C4'-P-C4' energy: -121.939 flat angles P-C4'-P energy: -86.926 tors. eta vs tors. theta energy: -91.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1215.057796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.057796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.057796 (E_RNA) where: Base-Base interactions energy: -802.617 where: short stacking energy: -340.162 Base-Backbone interact. energy: 5.335 local terms energy: -417.775788 where: bonds (distance) C4'-P energy: -96.535 bonds (distance) P-C4' energy: -107.329 flat angles C4'-P-C4' energy: -101.088 flat angles P-C4'-P energy: -51.658 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: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2659.150745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.150745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.150745 (E_RNA) where: Base-Base interactions energy: -1892.929 where: short stacking energy: -776.032 Base-Backbone interact. energy: -0.677 local terms energy: -765.544054 where: bonds (distance) C4'-P energy: -134.890 bonds (distance) P-C4' energy: -140.595 flat angles C4'-P-C4' energy: -146.269 flat angles P-C4'-P energy: -109.890 tors. eta vs tors. theta energy: -233.899 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2578.587784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.587784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.587784 (E_RNA) where: Base-Base interactions energy: -1849.057 where: short stacking energy: -761.213 Base-Backbone interact. energy: 0.955 local terms energy: -730.486027 where: bonds (distance) C4'-P energy: -103.405 bonds (distance) P-C4' energy: -135.066 flat angles C4'-P-C4' energy: -144.387 flat angles P-C4'-P energy: -111.243 tors. eta vs tors. theta energy: -236.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2549.370318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.370318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.370318 (E_RNA) where: Base-Base interactions energy: -1810.652 where: short stacking energy: -775.351 Base-Backbone interact. energy: -1.428 local terms energy: -737.290456 where: bonds (distance) C4'-P energy: -124.323 bonds (distance) P-C4' energy: -139.448 flat angles C4'-P-C4' energy: -154.079 flat angles P-C4'-P energy: -88.069 tors. eta vs tors. theta energy: -231.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2460.863522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.863522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.863522 (E_RNA) where: Base-Base interactions energy: -1761.380 where: short stacking energy: -725.266 Base-Backbone interact. energy: -0.090 local terms energy: -699.393163 where: bonds (distance) C4'-P energy: -126.705 bonds (distance) P-C4' energy: -120.837 flat angles C4'-P-C4' energy: -152.422 flat angles P-C4'-P energy: -83.969 tors. eta vs tors. theta energy: -215.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2377.902902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.902902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.902902 (E_RNA) where: Base-Base interactions energy: -1675.240 where: short stacking energy: -692.047 Base-Backbone interact. energy: -1.273 local terms energy: -701.390449 where: bonds (distance) C4'-P energy: -113.905 bonds (distance) P-C4' energy: -113.742 flat angles C4'-P-C4' energy: -150.024 flat angles P-C4'-P energy: -94.570 tors. eta vs tors. theta energy: -229.151 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: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2153.780656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.780656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.780656 (E_RNA) where: Base-Base interactions energy: -1498.069 where: short stacking energy: -629.365 Base-Backbone interact. energy: -2.405 local terms energy: -653.306338 where: bonds (distance) C4'-P energy: -120.509 bonds (distance) P-C4' energy: -119.215 flat angles C4'-P-C4' energy: -142.621 flat angles P-C4'-P energy: -82.113 tors. eta vs tors. theta energy: -188.849 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: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1892.863794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.863794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.863794 (E_RNA) where: Base-Base interactions energy: -1265.114 where: short stacking energy: -495.861 Base-Backbone interact. energy: 0.774 local terms energy: -628.523568 where: bonds (distance) C4'-P energy: -127.225 bonds (distance) P-C4' energy: -130.971 flat angles C4'-P-C4' energy: -132.823 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -141.649 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: 239 Temperature: 1.250000 Total energy: -1895.898987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.898987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.898987 (E_RNA) where: Base-Base interactions energy: -1336.195 where: short stacking energy: -569.781 Base-Backbone interact. energy: -3.075 local terms energy: -556.629258 where: bonds (distance) C4'-P energy: -84.752 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -126.145 flat angles P-C4'-P energy: -87.854 tors. eta vs tors. theta energy: -156.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1327.471350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.471350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.471350 (E_RNA) where: Base-Base interactions energy: -866.309 where: short stacking energy: -376.108 Base-Backbone interact. energy: 7.065 local terms energy: -468.227554 where: bonds (distance) C4'-P energy: -96.970 bonds (distance) P-C4' energy: -115.465 flat angles C4'-P-C4' energy: -111.585 flat angles P-C4'-P energy: -70.229 tors. eta vs tors. theta energy: -73.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1150.771504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.771504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.771504 (E_RNA) where: Base-Base interactions energy: -737.558 where: short stacking energy: -325.096 Base-Backbone interact. energy: -1.236 local terms energy: -411.977628 where: bonds (distance) C4'-P energy: -95.294 bonds (distance) P-C4' energy: -100.644 flat angles C4'-P-C4' energy: -90.545 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -58.559 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: 8 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2649.796486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.796486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.796486 (E_RNA) where: Base-Base interactions energy: -1865.141 where: short stacking energy: -754.653 Base-Backbone interact. energy: -2.514 local terms energy: -782.141470 where: bonds (distance) C4'-P energy: -144.629 bonds (distance) P-C4' energy: -136.038 flat angles C4'-P-C4' energy: -154.038 flat angles P-C4'-P energy: -105.532 tors. eta vs tors. theta energy: -241.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2599.391994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.391994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.391994 (E_RNA) where: Base-Base interactions energy: -1831.729 where: short stacking energy: -759.193 Base-Backbone interact. energy: -2.816 local terms energy: -764.846799 where: bonds (distance) C4'-P energy: -128.235 bonds (distance) P-C4' energy: -133.362 flat angles C4'-P-C4' energy: -158.717 flat angles P-C4'-P energy: -110.544 tors. eta vs tors. theta energy: -233.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2554.414940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.414940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.414940 (E_RNA) where: Base-Base interactions energy: -1785.726 where: short stacking energy: -766.387 Base-Backbone interact. energy: -2.144 local terms energy: -766.544850 where: bonds (distance) C4'-P energy: -127.797 bonds (distance) P-C4' energy: -131.510 flat angles C4'-P-C4' energy: -157.174 flat angles P-C4'-P energy: -113.189 tors. eta vs tors. theta energy: -236.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2440.126823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.126823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.126823 (E_RNA) where: Base-Base interactions energy: -1719.127 where: short stacking energy: -703.686 Base-Backbone interact. energy: -1.756 local terms energy: -719.243054 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -119.004 flat angles C4'-P-C4' energy: -157.849 flat angles P-C4'-P energy: -107.451 tors. eta vs tors. theta energy: -213.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2364.690646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.690646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.690646 (E_RNA) where: Base-Base interactions energy: -1666.656 where: short stacking energy: -698.030 Base-Backbone interact. energy: 0.112 local terms energy: -698.146695 where: bonds (distance) C4'-P energy: -128.120 bonds (distance) P-C4' energy: -115.573 flat angles C4'-P-C4' energy: -144.916 flat angles P-C4'-P energy: -87.764 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: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2226.241163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.241163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.241163 (E_RNA) where: Base-Base interactions energy: -1557.850 where: short stacking energy: -627.325 Base-Backbone interact. energy: -0.027 local terms energy: -668.364151 where: bonds (distance) C4'-P energy: -107.689 bonds (distance) P-C4' energy: -123.853 flat angles C4'-P-C4' energy: -148.641 flat angles P-C4'-P energy: -94.651 tors. eta vs tors. theta energy: -193.529 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: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1978.971521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.971521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.971521 (E_RNA) where: Base-Base interactions energy: -1392.668 where: short stacking energy: -585.330 Base-Backbone interact. energy: -3.693 local terms energy: -582.610913 where: bonds (distance) C4'-P energy: -112.063 bonds (distance) P-C4' energy: -99.407 flat angles C4'-P-C4' energy: -130.457 flat angles P-C4'-P energy: -87.689 tors. eta vs tors. theta energy: -152.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1873.875616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.875616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.875616 (E_RNA) where: Base-Base interactions energy: -1295.716 where: short stacking energy: -557.085 Base-Backbone interact. energy: -0.864 local terms energy: -577.296299 where: bonds (distance) C4'-P energy: -102.066 bonds (distance) P-C4' energy: -101.916 flat angles C4'-P-C4' energy: -132.648 flat angles P-C4'-P energy: -84.193 tors. eta vs tors. theta energy: -156.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1282.238842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.238842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.238842 (E_RNA) where: Base-Base interactions energy: -855.044 where: short stacking energy: -376.744 Base-Backbone interact. energy: -3.306 local terms energy: -423.888297 where: bonds (distance) C4'-P energy: -111.947 bonds (distance) P-C4' energy: -82.136 flat angles C4'-P-C4' energy: -104.534 flat angles P-C4'-P energy: -57.839 tors. eta vs tors. theta energy: -67.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1202.212020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.212020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.212020 (E_RNA) where: Base-Base interactions energy: -759.207 where: short stacking energy: -336.098 Base-Backbone interact. energy: -3.404 local terms energy: -439.600579 where: bonds (distance) C4'-P energy: -109.492 bonds (distance) P-C4' energy: -112.990 flat angles C4'-P-C4' energy: -101.160 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -64.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2641.543175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.543175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.543175 (E_RNA) where: Base-Base interactions energy: -1883.381 where: short stacking energy: -769.627 Base-Backbone interact. energy: -2.301 local terms energy: -755.860696 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -135.868 flat angles C4'-P-C4' energy: -152.144 flat angles P-C4'-P energy: -103.491 tors. eta vs tors. theta energy: -232.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2563.228373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.228373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.228373 (E_RNA) where: Base-Base interactions energy: -1809.665 where: short stacking energy: -734.549 Base-Backbone interact. energy: -0.917 local terms energy: -752.646920 where: bonds (distance) C4'-P energy: -128.293 bonds (distance) P-C4' energy: -130.411 flat angles C4'-P-C4' energy: -156.248 flat angles P-C4'-P energy: -102.070 tors. eta vs tors. theta energy: -235.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2576.332304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.332304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.332304 (E_RNA) where: Base-Base interactions energy: -1844.712 where: short stacking energy: -775.079 Base-Backbone interact. energy: -1.124 local terms energy: -730.495863 where: bonds (distance) C4'-P energy: -114.670 bonds (distance) P-C4' energy: -114.735 flat angles C4'-P-C4' energy: -164.766 flat angles P-C4'-P energy: -99.516 tors. eta vs tors. theta energy: -236.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2404.234017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.234017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.234017 (E_RNA) where: Base-Base interactions energy: -1681.638 where: short stacking energy: -690.219 Base-Backbone interact. energy: 0.841 local terms energy: -723.437625 where: bonds (distance) C4'-P energy: -122.718 bonds (distance) P-C4' energy: -118.866 flat angles C4'-P-C4' energy: -153.387 flat angles P-C4'-P energy: -113.092 tors. eta vs tors. theta energy: -215.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2326.113288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.113288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.113288 (E_RNA) where: Base-Base interactions energy: -1667.865 where: short stacking energy: -706.626 Base-Backbone interact. energy: -1.093 local terms energy: -657.155743 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -108.121 flat angles C4'-P-C4' energy: -143.144 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -218.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2255.026606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.026606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.026606 (E_RNA) where: Base-Base interactions energy: -1603.474 where: short stacking energy: -659.511 Base-Backbone interact. energy: -0.829 local terms energy: -650.724023 where: bonds (distance) C4'-P energy: -109.299 bonds (distance) P-C4' energy: -109.154 flat angles C4'-P-C4' energy: -149.937 flat angles P-C4'-P energy: -82.191 tors. eta vs tors. theta energy: -200.143 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: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1952.739943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.739943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.739943 (E_RNA) where: Base-Base interactions energy: -1333.481 where: short stacking energy: -571.486 Base-Backbone interact. energy: -3.124 local terms energy: -616.134200 where: bonds (distance) C4'-P energy: -113.048 bonds (distance) P-C4' energy: -114.107 flat angles C4'-P-C4' energy: -140.426 flat angles P-C4'-P energy: -83.072 tors. eta vs tors. theta energy: -165.482 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: 241 Temperature: 1.250000 Total energy: -1845.205915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.205915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.205915 (E_RNA) where: Base-Base interactions energy: -1258.699 where: short stacking energy: -528.413 Base-Backbone interact. energy: -1.100 local terms energy: -585.407029 where: bonds (distance) C4'-P energy: -121.488 bonds (distance) P-C4' energy: -113.668 flat angles C4'-P-C4' energy: -129.932 flat angles P-C4'-P energy: -72.034 tors. eta vs tors. theta energy: -148.285 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: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1347.561892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.561892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.561892 (E_RNA) where: Base-Base interactions energy: -881.782 where: short stacking energy: -387.572 Base-Backbone interact. energy: -2.114 local terms energy: -463.666105 where: bonds (distance) C4'-P energy: -100.569 bonds (distance) P-C4' energy: -103.812 flat angles C4'-P-C4' energy: -113.387 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -81.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1168.796518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.796518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.796518 (E_RNA) where: Base-Base interactions energy: -704.870 where: short stacking energy: -316.980 Base-Backbone interact. energy: -2.243 local terms energy: -461.683814 where: bonds (distance) C4'-P energy: -112.300 bonds (distance) P-C4' energy: -131.313 flat angles C4'-P-C4' energy: -105.593 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: -43.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2648.981136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.981136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.981136 (E_RNA) where: Base-Base interactions energy: -1889.208 where: short stacking energy: -767.475 Base-Backbone interact. energy: 2.491 local terms energy: -762.263542 where: bonds (distance) C4'-P energy: -139.478 bonds (distance) P-C4' energy: -138.353 flat angles C4'-P-C4' energy: -153.293 flat angles P-C4'-P energy: -105.050 tors. eta vs tors. theta energy: -226.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2578.215763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.215763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.215763 (E_RNA) where: Base-Base interactions energy: -1827.588 where: short stacking energy: -741.783 Base-Backbone interact. energy: -1.136 local terms energy: -749.491237 where: bonds (distance) C4'-P energy: -129.170 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -161.229 flat angles P-C4'-P energy: -107.973 tors. eta vs tors. theta energy: -235.422 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: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2572.280842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.280842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.280842 (E_RNA) where: Base-Base interactions energy: -1835.728 where: short stacking energy: -767.302 Base-Backbone interact. energy: -1.757 local terms energy: -734.796045 where: bonds (distance) C4'-P energy: -122.448 bonds (distance) P-C4' energy: -116.836 flat angles C4'-P-C4' energy: -153.476 flat angles P-C4'-P energy: -103.547 tors. eta vs tors. theta energy: -238.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2446.269630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.269630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.269630 (E_RNA) where: Base-Base interactions energy: -1736.092 where: short stacking energy: -715.109 Base-Backbone interact. energy: 0.060 local terms energy: -710.237174 where: bonds (distance) C4'-P energy: -129.315 bonds (distance) P-C4' energy: -108.531 flat angles C4'-P-C4' energy: -149.753 flat angles P-C4'-P energy: -96.800 tors. eta vs tors. theta energy: -225.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2289.050980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.050980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.050980 (E_RNA) where: Base-Base interactions energy: -1601.464 where: short stacking energy: -677.131 Base-Backbone interact. energy: -0.244 local terms energy: -687.343160 where: bonds (distance) C4'-P energy: -125.488 bonds (distance) P-C4' energy: -122.247 flat angles C4'-P-C4' energy: -141.549 flat angles P-C4'-P energy: -92.288 tors. eta vs tors. theta energy: -205.772 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: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2272.745910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.745910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.745910 (E_RNA) where: Base-Base interactions energy: -1586.240 where: short stacking energy: -655.845 Base-Backbone interact. energy: -1.302 local terms energy: -685.203429 where: bonds (distance) C4'-P energy: -120.905 bonds (distance) P-C4' energy: -126.017 flat angles C4'-P-C4' energy: -140.865 flat angles P-C4'-P energy: -99.825 tors. eta vs tors. theta energy: -197.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1975.755812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.755812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.755812 (E_RNA) where: Base-Base interactions energy: -1390.454 where: short stacking energy: -577.851 Base-Backbone interact. energy: -1.207 local terms energy: -584.094480 where: bonds (distance) C4'-P energy: -95.930 bonds (distance) P-C4' energy: -111.792 flat angles C4'-P-C4' energy: -137.384 flat angles P-C4'-P energy: -84.244 tors. eta vs tors. theta energy: -154.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1838.424600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.424600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.424600 (E_RNA) where: Base-Base interactions energy: -1277.509 where: short stacking energy: -523.291 Base-Backbone interact. energy: 2.867 local terms energy: -563.783207 where: bonds (distance) C4'-P energy: -86.337 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -117.449 flat angles P-C4'-P energy: -93.453 tors. eta vs tors. theta energy: -140.688 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: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1391.142607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.142607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.142607 (E_RNA) where: Base-Base interactions energy: -910.592 where: short stacking energy: -399.704 Base-Backbone interact. energy: 2.563 local terms energy: -483.113813 where: bonds (distance) C4'-P energy: -100.709 bonds (distance) P-C4' energy: -116.917 flat angles C4'-P-C4' energy: -114.911 flat angles P-C4'-P energy: -64.513 tors. eta vs tors. theta energy: -86.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1193.220597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.220597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.220597 (E_RNA) where: Base-Base interactions energy: -775.387 where: short stacking energy: -344.482 Base-Backbone interact. energy: 2.896 local terms energy: -420.729567 where: bonds (distance) C4'-P energy: -92.723 bonds (distance) P-C4' energy: -114.269 flat angles C4'-P-C4' energy: -84.835 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -57.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2651.688105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.688105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.688105 (E_RNA) where: Base-Base interactions energy: -1871.413 where: short stacking energy: -758.910 Base-Backbone interact. energy: -0.772 local terms energy: -779.502905 where: bonds (distance) C4'-P energy: -133.869 bonds (distance) P-C4' energy: -136.081 flat angles C4'-P-C4' energy: -159.709 flat angles P-C4'-P energy: -114.144 tors. eta vs tors. theta energy: -235.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2560.941498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.941498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.941498 (E_RNA) where: Base-Base interactions energy: -1795.207 where: short stacking energy: -742.122 Base-Backbone interact. energy: 0.408 local terms energy: -766.143147 where: bonds (distance) C4'-P energy: -131.358 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -149.842 flat angles P-C4'-P energy: -112.572 tors. eta vs tors. theta energy: -236.092 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: 243 Temperature: 1.000000 Total energy: -2545.607292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.607292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.607292 (E_RNA) where: Base-Base interactions energy: -1814.256 where: short stacking energy: -772.090 Base-Backbone interact. energy: 0.121 local terms energy: -731.471845 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -115.147 flat angles C4'-P-C4' energy: -152.111 flat angles P-C4'-P energy: -98.919 tors. eta vs tors. theta energy: -235.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2412.884157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.884157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.884157 (E_RNA) where: Base-Base interactions energy: -1706.806 where: short stacking energy: -684.932 Base-Backbone interact. energy: -2.253 local terms energy: -703.824683 where: bonds (distance) C4'-P energy: -129.219 bonds (distance) P-C4' energy: -106.041 flat angles C4'-P-C4' energy: -155.857 flat angles P-C4'-P energy: -101.901 tors. eta vs tors. theta energy: -210.807 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: 5, replica: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2336.860228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.860228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.860228 (E_RNA) where: Base-Base interactions energy: -1647.352 where: short stacking energy: -674.430 Base-Backbone interact. energy: 1.710 local terms energy: -691.218012 where: bonds (distance) C4'-P energy: -124.640 bonds (distance) P-C4' energy: -117.306 flat angles C4'-P-C4' energy: -142.456 flat angles P-C4'-P energy: -98.249 tors. eta vs tors. theta energy: -208.568 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: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2248.368305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.368305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.368305 (E_RNA) where: Base-Base interactions energy: -1597.022 where: short stacking energy: -658.797 Base-Backbone interact. energy: -1.181 local terms energy: -650.164665 where: bonds (distance) C4'-P energy: -119.587 bonds (distance) P-C4' energy: -113.912 flat angles C4'-P-C4' energy: -137.634 flat angles P-C4'-P energy: -78.393 tors. eta vs tors. theta energy: -200.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1902.494280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.494280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.494280 (E_RNA) where: Base-Base interactions energy: -1322.834 where: short stacking energy: -561.076 Base-Backbone interact. energy: -1.618 local terms energy: -578.042382 where: bonds (distance) C4'-P energy: -100.887 bonds (distance) P-C4' energy: -124.447 flat angles C4'-P-C4' energy: -120.729 flat angles P-C4'-P energy: -85.328 tors. eta vs tors. theta energy: -146.652 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: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1875.181417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.181417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.181417 (E_RNA) where: Base-Base interactions energy: -1305.339 where: short stacking energy: -565.274 Base-Backbone interact. energy: -1.442 local terms energy: -568.400982 where: bonds (distance) C4'-P energy: -104.993 bonds (distance) P-C4' energy: -89.913 flat angles C4'-P-C4' energy: -121.411 flat angles P-C4'-P energy: -86.052 tors. eta vs tors. theta energy: -166.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1366.409010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.409010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.409010 (E_RNA) where: Base-Base interactions energy: -895.671 where: short stacking energy: -398.356 Base-Backbone interact. energy: -3.394 local terms energy: -467.343755 where: bonds (distance) C4'-P energy: -110.981 bonds (distance) P-C4' energy: -82.839 flat angles C4'-P-C4' energy: -118.851 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: -88.138 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: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1269.034078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.034078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.034078 (E_RNA) where: Base-Base interactions energy: -802.144 where: short stacking energy: -379.837 Base-Backbone interact. energy: -2.785 local terms energy: -464.104726 where: bonds (distance) C4'-P energy: -115.524 bonds (distance) P-C4' energy: -100.943 flat angles C4'-P-C4' energy: -86.732 flat angles P-C4'-P energy: -82.269 tors. eta vs tors. theta energy: -78.636 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: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2676.628478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.628478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.628478 (E_RNA) where: Base-Base interactions energy: -1877.528 where: short stacking energy: -786.973 Base-Backbone interact. energy: -1.541 local terms energy: -797.559510 where: bonds (distance) C4'-P energy: -138.225 bonds (distance) P-C4' energy: -134.977 flat angles C4'-P-C4' energy: -166.139 flat angles P-C4'-P energy: -113.795 tors. eta vs tors. theta energy: -244.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2553.212517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.212517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.212517 (E_RNA) where: Base-Base interactions energy: -1807.111 where: short stacking energy: -746.077 Base-Backbone interact. energy: -0.985 local terms energy: -745.116656 where: bonds (distance) C4'-P energy: -122.244 bonds (distance) P-C4' energy: -129.134 flat angles C4'-P-C4' energy: -154.348 flat angles P-C4'-P energy: -100.078 tors. eta vs tors. theta energy: -239.312 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: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2545.260802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.260802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.260802 (E_RNA) where: Base-Base interactions energy: -1811.355 where: short stacking energy: -767.197 Base-Backbone interact. energy: 0.358 local terms energy: -734.263764 where: bonds (distance) C4'-P energy: -110.309 bonds (distance) P-C4' energy: -130.821 flat angles C4'-P-C4' energy: -146.663 flat angles P-C4'-P energy: -106.744 tors. eta vs tors. theta energy: -239.727 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: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2457.336157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.336157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.336157 (E_RNA) where: Base-Base interactions energy: -1770.682 where: short stacking energy: -722.716 Base-Backbone interact. energy: -1.755 local terms energy: -684.899095 where: bonds (distance) C4'-P energy: -97.626 bonds (distance) P-C4' energy: -127.647 flat angles C4'-P-C4' energy: -147.965 flat angles P-C4'-P energy: -96.134 tors. eta vs tors. theta energy: -215.527 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: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2354.984726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.984726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.984726 (E_RNA) where: Base-Base interactions energy: -1649.866 where: short stacking energy: -675.572 Base-Backbone interact. energy: 1.149 local terms energy: -706.267055 where: bonds (distance) C4'-P energy: -123.580 bonds (distance) P-C4' energy: -132.499 flat angles C4'-P-C4' energy: -137.494 flat angles P-C4'-P energy: -103.210 tors. eta vs tors. theta energy: -209.485 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: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2242.101156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.101156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.101156 (E_RNA) where: Base-Base interactions energy: -1575.171 where: short stacking energy: -628.774 Base-Backbone interact. energy: -1.914 local terms energy: -665.016381 where: bonds (distance) C4'-P energy: -130.048 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -136.624 flat angles P-C4'-P energy: -92.305 tors. eta vs tors. theta energy: -192.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1903.552984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.552984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.552984 (E_RNA) where: Base-Base interactions energy: -1337.825 where: short stacking energy: -586.591 Base-Backbone interact. energy: -0.335 local terms energy: -565.393145 where: bonds (distance) C4'-P energy: -105.912 bonds (distance) P-C4' energy: -123.657 flat angles C4'-P-C4' energy: -116.793 flat angles P-C4'-P energy: -68.067 tors. eta vs tors. theta energy: -150.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1856.579721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.579721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.579721 (E_RNA) where: Base-Base interactions energy: -1280.019 where: short stacking energy: -538.056 Base-Backbone interact. energy: -1.734 local terms energy: -574.827674 where: bonds (distance) C4'-P energy: -119.350 bonds (distance) P-C4' energy: -94.310 flat angles C4'-P-C4' energy: -138.035 flat angles P-C4'-P energy: -76.027 tors. eta vs tors. theta energy: -147.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1316.804564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.804564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.804564 (E_RNA) where: Base-Base interactions energy: -849.613 where: short stacking energy: -376.312 Base-Backbone interact. energy: 1.913 local terms energy: -469.104019 where: bonds (distance) C4'-P energy: -101.196 bonds (distance) P-C4' energy: -117.825 flat angles C4'-P-C4' energy: -114.733 flat angles P-C4'-P energy: -74.709 tors. eta vs tors. theta energy: -60.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1255.610589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.610589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.610589 (E_RNA) where: Base-Base interactions energy: -844.226 where: short stacking energy: -378.218 Base-Backbone interact. energy: 2.475 local terms energy: -413.859520 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -97.204 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -53.662 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: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2654.886763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.886763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.886763 (E_RNA) where: Base-Base interactions energy: -1886.851 where: short stacking energy: -783.121 Base-Backbone interact. energy: -1.193 local terms energy: -766.842797 where: bonds (distance) C4'-P energy: -134.126 bonds (distance) P-C4' energy: -134.743 flat angles C4'-P-C4' energy: -157.444 flat angles P-C4'-P energy: -97.950 tors. eta vs tors. theta energy: -242.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2577.755694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.755694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.755694 (E_RNA) where: Base-Base interactions energy: -1817.935 where: short stacking energy: -782.937 Base-Backbone interact. energy: -1.044 local terms energy: -758.776524 where: bonds (distance) C4'-P energy: -121.809 bonds (distance) P-C4' energy: -131.313 flat angles C4'-P-C4' energy: -157.547 flat angles P-C4'-P energy: -108.058 tors. eta vs tors. theta energy: -240.049 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: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2551.924383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.924383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.924383 (E_RNA) where: Base-Base interactions energy: -1806.369 where: short stacking energy: -753.460 Base-Backbone interact. energy: 0.960 local terms energy: -746.515338 where: bonds (distance) C4'-P energy: -119.198 bonds (distance) P-C4' energy: -129.493 flat angles C4'-P-C4' energy: -157.004 flat angles P-C4'-P energy: -110.202 tors. eta vs tors. theta energy: -230.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2454.322122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.322122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.322122 (E_RNA) where: Base-Base interactions energy: -1718.165 where: short stacking energy: -710.162 Base-Backbone interact. energy: -2.690 local terms energy: -733.467488 where: bonds (distance) C4'-P energy: -145.793 bonds (distance) P-C4' energy: -120.729 flat angles C4'-P-C4' energy: -153.888 flat angles P-C4'-P energy: -94.983 tors. eta vs tors. theta energy: -218.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2335.535179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.535179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.535179 (E_RNA) where: Base-Base interactions energy: -1654.108 where: short stacking energy: -678.467 Base-Backbone interact. energy: -1.727 local terms energy: -679.699744 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -131.925 flat angles C4'-P-C4' energy: -138.299 flat angles P-C4'-P energy: -97.728 tors. eta vs tors. theta energy: -215.087 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: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2284.791770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.791770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.791770 (E_RNA) where: Base-Base interactions energy: -1643.684 where: short stacking energy: -664.807 Base-Backbone interact. energy: -0.433 local terms energy: -640.674358 where: bonds (distance) C4'-P energy: -105.615 bonds (distance) P-C4' energy: -118.112 flat angles C4'-P-C4' energy: -135.214 flat angles P-C4'-P energy: -86.448 tors. eta vs tors. theta energy: -195.285 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: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1871.295360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.295360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.295360 (E_RNA) where: Base-Base interactions energy: -1281.007 where: short stacking energy: -552.148 Base-Backbone interact. energy: 0.257 local terms energy: -590.545563 where: bonds (distance) C4'-P energy: -99.907 bonds (distance) P-C4' energy: -126.422 flat angles C4'-P-C4' energy: -128.725 flat angles P-C4'-P energy: -75.898 tors. eta vs tors. theta energy: -159.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1720.785102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.785102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.785102 (E_RNA) where: Base-Base interactions energy: -1208.821 where: short stacking energy: -517.492 Base-Backbone interact. energy: -2.882 local terms energy: -509.081949 where: bonds (distance) C4'-P energy: -96.480 bonds (distance) P-C4' energy: -83.565 flat angles C4'-P-C4' energy: -119.768 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -140.977 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: 9, replica: 4 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1454.829000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.829000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.829000 (E_RNA) where: Base-Base interactions energy: -971.470 where: short stacking energy: -437.158 Base-Backbone interact. energy: -0.180 local terms energy: -483.178854 where: bonds (distance) C4'-P energy: -105.332 bonds (distance) P-C4' energy: -107.697 flat angles C4'-P-C4' energy: -122.381 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: -92.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1286.579724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.579724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.579724 (E_RNA) where: Base-Base interactions energy: -857.004 where: short stacking energy: -362.121 Base-Backbone interact. energy: 3.384 local terms energy: -432.958857 where: bonds (distance) C4'-P energy: -112.603 bonds (distance) P-C4' energy: -91.113 flat angles C4'-P-C4' energy: -105.834 flat angles P-C4'-P energy: -52.386 tors. eta vs tors. theta energy: -71.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2656.775950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.775950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.775950 (E_RNA) where: Base-Base interactions energy: -1877.763 where: short stacking energy: -772.572 Base-Backbone interact. energy: 1.444 local terms energy: -780.457031 where: bonds (distance) C4'-P energy: -141.035 bonds (distance) P-C4' energy: -132.045 flat angles C4'-P-C4' energy: -158.178 flat angles P-C4'-P energy: -110.099 tors. eta vs tors. theta energy: -239.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2589.935061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.935061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.935061 (E_RNA) where: Base-Base interactions energy: -1838.747 where: short stacking energy: -780.159 Base-Backbone interact. energy: -2.024 local terms energy: -749.163817 where: bonds (distance) C4'-P energy: -104.845 bonds (distance) P-C4' energy: -131.650 flat angles C4'-P-C4' energy: -149.579 flat angles P-C4'-P energy: -116.049 tors. eta vs tors. theta energy: -247.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2568.683363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.683363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.683363 (E_RNA) where: Base-Base interactions energy: -1825.497 where: short stacking energy: -744.721 Base-Backbone interact. energy: -1.176 local terms energy: -742.009989 where: bonds (distance) C4'-P energy: -110.482 bonds (distance) P-C4' energy: -131.615 flat angles C4'-P-C4' energy: -154.155 flat angles P-C4'-P energy: -114.378 tors. eta vs tors. theta energy: -231.380 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: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2425.737741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.737741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.737741 (E_RNA) where: Base-Base interactions energy: -1711.788 where: short stacking energy: -698.906 Base-Backbone interact. energy: -1.335 local terms energy: -712.614552 where: bonds (distance) C4'-P energy: -141.066 bonds (distance) P-C4' energy: -131.472 flat angles C4'-P-C4' energy: -135.447 flat angles P-C4'-P energy: -95.962 tors. eta vs tors. theta energy: -208.668 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: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2367.307839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.307839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.307839 (E_RNA) where: Base-Base interactions energy: -1637.926 where: short stacking energy: -684.746 Base-Backbone interact. energy: -0.456 local terms energy: -728.925697 where: bonds (distance) C4'-P energy: -125.595 bonds (distance) P-C4' energy: -121.465 flat angles C4'-P-C4' energy: -143.838 flat angles P-C4'-P energy: -103.460 tors. eta vs tors. theta energy: -234.568 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: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2285.815020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.815020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.815020 (E_RNA) where: Base-Base interactions energy: -1653.304 where: short stacking energy: -671.315 Base-Backbone interact. energy: -1.490 local terms energy: -631.020535 where: bonds (distance) C4'-P energy: -112.295 bonds (distance) P-C4' energy: -107.452 flat angles C4'-P-C4' energy: -133.267 flat angles P-C4'-P energy: -81.562 tors. eta vs tors. theta energy: -196.444 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: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1822.965079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.965079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.965079 (E_RNA) where: Base-Base interactions energy: -1221.855 where: short stacking energy: -537.684 Base-Backbone interact. energy: -2.700 local terms energy: -598.409946 where: bonds (distance) C4'-P energy: -104.541 bonds (distance) P-C4' energy: -118.270 flat angles C4'-P-C4' energy: -146.698 flat angles P-C4'-P energy: -87.144 tors. eta vs tors. theta energy: -141.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1676.760795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.760795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.760795 (E_RNA) where: Base-Base interactions energy: -1124.568 where: short stacking energy: -489.773 Base-Backbone interact. energy: 0.483 local terms energy: -552.675614 where: bonds (distance) C4'-P energy: -101.507 bonds (distance) P-C4' energy: -125.941 flat angles C4'-P-C4' energy: -137.267 flat angles P-C4'-P energy: -70.134 tors. eta vs tors. theta energy: -117.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1409.626016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.626016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.626016 (E_RNA) where: Base-Base interactions energy: -916.492 where: short stacking energy: -419.235 Base-Backbone interact. energy: -1.839 local terms energy: -491.294524 where: bonds (distance) C4'-P energy: -110.670 bonds (distance) P-C4' energy: -93.878 flat angles C4'-P-C4' energy: -120.658 flat angles P-C4'-P energy: -68.647 tors. eta vs tors. theta energy: -97.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1185.997192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.997192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.997192 (E_RNA) where: Base-Base interactions energy: -732.561 where: short stacking energy: -325.076 Base-Backbone interact. energy: -0.199 local terms energy: -453.236381 where: bonds (distance) C4'-P energy: -91.407 bonds (distance) P-C4' energy: -116.930 flat angles C4'-P-C4' energy: -106.421 flat angles P-C4'-P energy: -69.606 tors. eta vs tors. theta energy: -68.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2663.651540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.651540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.651540 (E_RNA) where: Base-Base interactions energy: -1886.829 where: short stacking energy: -779.869 Base-Backbone interact. energy: 2.733 local terms energy: -779.555842 where: bonds (distance) C4'-P energy: -146.807 bonds (distance) P-C4' energy: -132.252 flat angles C4'-P-C4' energy: -146.552 flat angles P-C4'-P energy: -117.543 tors. eta vs tors. theta energy: -236.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2594.768216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.768216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.768216 (E_RNA) where: Base-Base interactions energy: -1817.542 where: short stacking energy: -765.339 Base-Backbone interact. energy: -1.078 local terms energy: -776.148266 where: bonds (distance) C4'-P energy: -141.339 bonds (distance) P-C4' energy: -129.849 flat angles C4'-P-C4' energy: -149.863 flat angles P-C4'-P energy: -110.472 tors. eta vs tors. theta energy: -244.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2549.817037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.817037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.817037 (E_RNA) where: Base-Base interactions energy: -1816.839 where: short stacking energy: -748.982 Base-Backbone interact. energy: 1.324 local terms energy: -734.302122 where: bonds (distance) C4'-P energy: -124.445 bonds (distance) P-C4' energy: -130.371 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -105.569 tors. eta vs tors. theta energy: -229.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2426.849841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.849841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.849841 (E_RNA) where: Base-Base interactions energy: -1717.962 where: short stacking energy: -717.381 Base-Backbone interact. energy: -2.419 local terms energy: -706.468750 where: bonds (distance) C4'-P energy: -110.393 bonds (distance) P-C4' energy: -111.595 flat angles C4'-P-C4' energy: -151.999 flat angles P-C4'-P energy: -98.481 tors. eta vs tors. theta energy: -234.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2402.269204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.269204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.269204 (E_RNA) where: Base-Base interactions energy: -1688.874 where: short stacking energy: -684.298 Base-Backbone interact. energy: 1.043 local terms energy: -714.437456 where: bonds (distance) C4'-P energy: -120.854 bonds (distance) P-C4' energy: -128.929 flat angles C4'-P-C4' energy: -140.945 flat angles P-C4'-P energy: -103.119 tors. eta vs tors. theta energy: -220.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2263.335702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.335702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.335702 (E_RNA) where: Base-Base interactions energy: -1576.497 where: short stacking energy: -627.997 Base-Backbone interact. energy: -1.384 local terms energy: -685.453827 where: bonds (distance) C4'-P energy: -119.263 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -152.488 flat angles P-C4'-P energy: -102.413 tors. eta vs tors. theta energy: -183.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1842.105761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.105761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.105761 (E_RNA) where: Base-Base interactions energy: -1274.531 where: short stacking energy: -517.853 Base-Backbone interact. energy: -0.742 local terms energy: -566.832640 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -105.879 flat angles C4'-P-C4' energy: -142.289 flat angles P-C4'-P energy: -78.811 tors. eta vs tors. theta energy: -140.309 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: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1677.530909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.530909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.530909 (E_RNA) where: Base-Base interactions energy: -1146.782 where: short stacking energy: -485.984 Base-Backbone interact. energy: -1.288 local terms energy: -529.460626 where: bonds (distance) C4'-P energy: -98.567 bonds (distance) P-C4' energy: -126.284 flat angles C4'-P-C4' energy: -111.868 flat angles P-C4'-P energy: -63.222 tors. eta vs tors. theta energy: -129.520 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: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1352.971022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.971022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.971022 (E_RNA) where: Base-Base interactions energy: -873.026 where: short stacking energy: -426.509 Base-Backbone interact. energy: -3.762 local terms energy: -476.182828 where: bonds (distance) C4'-P energy: -101.843 bonds (distance) P-C4' energy: -110.411 flat angles C4'-P-C4' energy: -97.868 flat angles P-C4'-P energy: -60.206 tors. eta vs tors. theta energy: -105.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1156.352603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.352603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.352603 (E_RNA) where: Base-Base interactions energy: -712.713 where: short stacking energy: -326.924 Base-Backbone interact. energy: 0.015 local terms energy: -443.654979 where: bonds (distance) C4'-P energy: -88.998 bonds (distance) P-C4' energy: -107.349 flat angles C4'-P-C4' energy: -105.714 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -67.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2673.298357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.298357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.298357 (E_RNA) where: Base-Base interactions energy: -1873.938 where: short stacking energy: -759.692 Base-Backbone interact. energy: -1.808 local terms energy: -797.551660 where: bonds (distance) C4'-P energy: -143.491 bonds (distance) P-C4' energy: -151.024 flat angles C4'-P-C4' energy: -156.069 flat angles P-C4'-P energy: -107.478 tors. eta vs tors. theta energy: -239.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2597.948140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.948140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.948140 (E_RNA) where: Base-Base interactions energy: -1811.667 where: short stacking energy: -762.748 Base-Backbone interact. energy: 1.228 local terms energy: -787.509358 where: bonds (distance) C4'-P energy: -143.878 bonds (distance) P-C4' energy: -139.668 flat angles C4'-P-C4' energy: -162.692 flat angles P-C4'-P energy: -112.383 tors. eta vs tors. theta energy: -228.889 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: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2548.784566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.784566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.784566 (E_RNA) where: Base-Base interactions energy: -1812.981 where: short stacking energy: -768.929 Base-Backbone interact. energy: -1.588 local terms energy: -734.215660 where: bonds (distance) C4'-P energy: -122.365 bonds (distance) P-C4' energy: -118.522 flat angles C4'-P-C4' energy: -150.797 flat angles P-C4'-P energy: -109.707 tors. eta vs tors. theta energy: -232.825 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: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2444.294979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.294979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.294979 (E_RNA) where: Base-Base interactions energy: -1734.482 where: short stacking energy: -711.554 Base-Backbone interact. energy: -4.528 local terms energy: -705.285510 where: bonds (distance) C4'-P energy: -131.070 bonds (distance) P-C4' energy: -110.590 flat angles C4'-P-C4' energy: -146.930 flat angles P-C4'-P energy: -101.042 tors. eta vs tors. theta energy: -215.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2370.458315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.458315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.458315 (E_RNA) where: Base-Base interactions energy: -1695.248 where: short stacking energy: -712.901 Base-Backbone interact. energy: -1.612 local terms energy: -673.598589 where: bonds (distance) C4'-P energy: -108.007 bonds (distance) P-C4' energy: -117.876 flat angles C4'-P-C4' energy: -141.480 flat angles P-C4'-P energy: -89.157 tors. eta vs tors. theta energy: -217.078 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: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2280.462050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.462050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.462050 (E_RNA) where: Base-Base interactions energy: -1598.476 where: short stacking energy: -639.503 Base-Backbone interact. energy: -1.140 local terms energy: -680.846141 where: bonds (distance) C4'-P energy: -124.471 bonds (distance) P-C4' energy: -120.977 flat angles C4'-P-C4' energy: -141.998 flat angles P-C4'-P energy: -91.489 tors. eta vs tors. theta energy: -201.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1882.078541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.078541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.078541 (E_RNA) where: Base-Base interactions energy: -1311.786 where: short stacking energy: -556.799 Base-Backbone interact. energy: 1.074 local terms energy: -571.366874 where: bonds (distance) C4'-P energy: -119.126 bonds (distance) P-C4' energy: -103.999 flat angles C4'-P-C4' energy: -128.602 flat angles P-C4'-P energy: -75.861 tors. eta vs tors. theta energy: -143.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1698.681152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.681152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.681152 (E_RNA) where: Base-Base interactions energy: -1163.833 where: short stacking energy: -473.239 Base-Backbone interact. energy: 1.146 local terms energy: -535.994795 where: bonds (distance) C4'-P energy: -102.078 bonds (distance) P-C4' energy: -117.354 flat angles C4'-P-C4' energy: -125.278 flat angles P-C4'-P energy: -67.999 tors. eta vs tors. theta energy: -123.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1403.404066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.404066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.404066 (E_RNA) where: Base-Base interactions energy: -917.320 where: short stacking energy: -420.624 Base-Backbone interact. energy: -1.573 local terms energy: -484.511217 where: bonds (distance) C4'-P energy: -101.987 bonds (distance) P-C4' energy: -112.583 flat angles C4'-P-C4' energy: -96.564 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -83.896 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: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1088.902886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.902886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.902886 (E_RNA) where: Base-Base interactions energy: -630.766 where: short stacking energy: -306.412 Base-Backbone interact. energy: 0.787 local terms energy: -458.923897 where: bonds (distance) C4'-P energy: -112.258 bonds (distance) P-C4' energy: -128.946 flat angles C4'-P-C4' energy: -110.886 flat angles P-C4'-P energy: -62.204 tors. eta vs tors. theta energy: -44.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2657.394161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.394161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.394161 (E_RNA) where: Base-Base interactions energy: -1863.840 where: short stacking energy: -777.588 Base-Backbone interact. energy: 1.479 local terms energy: -795.033634 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -130.285 flat angles C4'-P-C4' energy: -158.000 flat angles P-C4'-P energy: -122.845 tors. eta vs tors. theta energy: -243.061 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: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2595.815221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.815221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.815221 (E_RNA) where: Base-Base interactions energy: -1841.870 where: short stacking energy: -758.184 Base-Backbone interact. energy: -0.769 local terms energy: -753.176570 where: bonds (distance) C4'-P energy: -124.898 bonds (distance) P-C4' energy: -120.222 flat angles C4'-P-C4' energy: -153.742 flat angles P-C4'-P energy: -111.689 tors. eta vs tors. theta energy: -242.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2521.917974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.917974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.917974 (E_RNA) where: Base-Base interactions energy: -1785.232 where: short stacking energy: -727.985 Base-Backbone interact. energy: 0.752 local terms energy: -737.437725 where: bonds (distance) C4'-P energy: -109.239 bonds (distance) P-C4' energy: -138.970 flat angles C4'-P-C4' energy: -154.666 flat angles P-C4'-P energy: -104.629 tors. eta vs tors. theta energy: -229.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2458.629240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.629240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.629240 (E_RNA) where: Base-Base interactions energy: -1773.185 where: short stacking energy: -724.374 Base-Backbone interact. energy: 1.204 local terms energy: -686.647714 where: bonds (distance) C4'-P energy: -97.975 bonds (distance) P-C4' energy: -129.563 flat angles C4'-P-C4' energy: -147.139 flat angles P-C4'-P energy: -94.830 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: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2359.286406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.286406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.286406 (E_RNA) where: Base-Base interactions energy: -1661.930 where: short stacking energy: -697.532 Base-Backbone interact. energy: -2.892 local terms energy: -694.465021 where: bonds (distance) C4'-P energy: -129.449 bonds (distance) P-C4' energy: -110.198 flat angles C4'-P-C4' energy: -141.325 flat angles P-C4'-P energy: -94.816 tors. eta vs tors. theta energy: -218.677 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: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2307.678422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.678422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.678422 (E_RNA) where: Base-Base interactions energy: -1637.734 where: short stacking energy: -667.338 Base-Backbone interact. energy: -0.680 local terms energy: -669.264991 where: bonds (distance) C4'-P energy: -128.766 bonds (distance) P-C4' energy: -112.390 flat angles C4'-P-C4' energy: -138.800 flat angles P-C4'-P energy: -92.443 tors. eta vs tors. theta energy: -196.865 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: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1859.937010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.937010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.937010 (E_RNA) where: Base-Base interactions energy: -1285.469 where: short stacking energy: -542.686 Base-Backbone interact. energy: -1.569 local terms energy: -572.899136 where: bonds (distance) C4'-P energy: -113.215 bonds (distance) P-C4' energy: -114.587 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -79.751 tors. eta vs tors. theta energy: -144.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1650.374126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.374126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.374126 (E_RNA) where: Base-Base interactions energy: -1115.407 where: short stacking energy: -481.019 Base-Backbone interact. energy: 4.137 local terms energy: -539.104124 where: bonds (distance) C4'-P energy: -112.281 bonds (distance) P-C4' energy: -97.681 flat angles C4'-P-C4' energy: -127.174 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -117.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1330.141448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.141448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.141448 (E_RNA) where: Base-Base interactions energy: -858.158 where: short stacking energy: -394.506 Base-Backbone interact. energy: 1.720 local terms energy: -473.703418 where: bonds (distance) C4'-P energy: -102.382 bonds (distance) P-C4' energy: -110.920 flat angles C4'-P-C4' energy: -107.097 flat angles P-C4'-P energy: -57.456 tors. eta vs tors. theta energy: -95.849 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: 249 Temperature: 1.350000 Total energy: -1047.592191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.592191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.592191 (E_RNA) where: Base-Base interactions energy: -656.929 where: short stacking energy: -315.470 Base-Backbone interact. energy: 4.691 local terms energy: -395.353996 where: bonds (distance) C4'-P energy: -105.524 bonds (distance) P-C4' energy: -102.532 flat angles C4'-P-C4' energy: -104.067 flat angles P-C4'-P energy: -58.640 tors. eta vs tors. theta energy: -24.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2662.651148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.651148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.651148 (E_RNA) where: Base-Base interactions energy: -1880.381 where: short stacking energy: -780.301 Base-Backbone interact. energy: -0.621 local terms energy: -781.649062 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -136.245 flat angles C4'-P-C4' energy: -154.871 flat angles P-C4'-P energy: -112.220 tors. eta vs tors. theta energy: -245.644 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: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2560.649743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.649743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.649743 (E_RNA) where: Base-Base interactions energy: -1808.977 where: short stacking energy: -770.789 Base-Backbone interact. energy: -1.832 local terms energy: -749.840372 where: bonds (distance) C4'-P energy: -132.429 bonds (distance) P-C4' energy: -119.297 flat angles C4'-P-C4' energy: -157.007 flat angles P-C4'-P energy: -106.776 tors. eta vs tors. theta energy: -234.331 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: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2544.948026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.948026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.948026 (E_RNA) where: Base-Base interactions energy: -1806.282 where: short stacking energy: -774.264 Base-Backbone interact. energy: -1.080 local terms energy: -737.586074 where: bonds (distance) C4'-P energy: -116.147 bonds (distance) P-C4' energy: -141.900 flat angles C4'-P-C4' energy: -148.248 flat angles P-C4'-P energy: -95.525 tors. eta vs tors. theta energy: -235.765 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: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2455.460402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.460402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.460402 (E_RNA) where: Base-Base interactions energy: -1728.922 where: short stacking energy: -746.824 Base-Backbone interact. energy: -1.658 local terms energy: -724.880710 where: bonds (distance) C4'-P energy: -115.395 bonds (distance) P-C4' energy: -129.506 flat angles C4'-P-C4' energy: -147.685 flat angles P-C4'-P energy: -100.613 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: 5, replica: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2376.242907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.242907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.242907 (E_RNA) where: Base-Base interactions energy: -1653.971 where: short stacking energy: -691.719 Base-Backbone interact. energy: -1.581 local terms energy: -720.691708 where: bonds (distance) C4'-P energy: -122.845 bonds (distance) P-C4' energy: -129.208 flat angles C4'-P-C4' energy: -152.342 flat angles P-C4'-P energy: -86.008 tors. eta vs tors. theta energy: -230.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2293.469719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.469719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.469719 (E_RNA) where: Base-Base interactions energy: -1635.745 where: short stacking energy: -670.378 Base-Backbone interact. energy: -0.986 local terms energy: -656.739194 where: bonds (distance) C4'-P energy: -120.833 bonds (distance) P-C4' energy: -106.543 flat angles C4'-P-C4' energy: -143.049 flat angles P-C4'-P energy: -90.315 tors. eta vs tors. theta energy: -196.000 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: 7, replica: 3 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1870.472494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.472494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.472494 (E_RNA) where: Base-Base interactions energy: -1307.640 where: short stacking energy: -532.429 Base-Backbone interact. energy: -1.987 local terms energy: -560.844825 where: bonds (distance) C4'-P energy: -108.595 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -112.297 flat angles P-C4'-P energy: -86.222 tors. eta vs tors. theta energy: -132.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1653.648019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.648019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.648019 (E_RNA) where: Base-Base interactions energy: -1121.555 where: short stacking energy: -480.579 Base-Backbone interact. energy: -2.559 local terms energy: -529.533888 where: bonds (distance) C4'-P energy: -87.130 bonds (distance) P-C4' energy: -117.918 flat angles C4'-P-C4' energy: -125.757 flat angles P-C4'-P energy: -74.997 tors. eta vs tors. theta energy: -123.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1328.595977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.595977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.595977 (E_RNA) where: Base-Base interactions energy: -862.606 where: short stacking energy: -390.475 Base-Backbone interact. energy: -1.099 local terms energy: -464.891341 where: bonds (distance) C4'-P energy: -113.345 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -107.149 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -73.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1042.523786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.523786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.523786 (E_RNA) where: Base-Base interactions energy: -615.843 where: short stacking energy: -303.545 Base-Backbone interact. energy: 3.707 local terms energy: -430.387666 where: bonds (distance) C4'-P energy: -106.207 bonds (distance) P-C4' energy: -107.188 flat angles C4'-P-C4' energy: -112.545 flat angles P-C4'-P energy: -53.565 tors. eta vs tors. theta energy: -50.883 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: 251 Temperature: 0.900000 Total energy: -2655.489724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.489724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.489724 (E_RNA) where: Base-Base interactions energy: -1885.344 where: short stacking energy: -778.276 Base-Backbone interact. energy: 2.004 local terms energy: -772.149983 where: bonds (distance) C4'-P energy: -134.085 bonds (distance) P-C4' energy: -122.782 flat angles C4'-P-C4' energy: -168.203 flat angles P-C4'-P energy: -112.485 tors. eta vs tors. theta energy: -234.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2590.572476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.572476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.572476 (E_RNA) where: Base-Base interactions energy: -1830.221 where: short stacking energy: -771.799 Base-Backbone interact. energy: -3.022 local terms energy: -757.329765 where: bonds (distance) C4'-P energy: -129.750 bonds (distance) P-C4' energy: -136.074 flat angles C4'-P-C4' energy: -150.652 flat angles P-C4'-P energy: -111.690 tors. eta vs tors. theta energy: -229.162 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: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2554.441606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.441606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.441606 (E_RNA) where: Base-Base interactions energy: -1816.926 where: short stacking energy: -760.261 Base-Backbone interact. energy: -1.005 local terms energy: -736.510916 where: bonds (distance) C4'-P energy: -112.159 bonds (distance) P-C4' energy: -134.848 flat angles C4'-P-C4' energy: -154.882 flat angles P-C4'-P energy: -107.087 tors. eta vs tors. theta energy: -227.535 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: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2487.318307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.318307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.318307 (E_RNA) where: Base-Base interactions energy: -1741.272 where: short stacking energy: -745.367 Base-Backbone interact. energy: -1.613 local terms energy: -744.432675 where: bonds (distance) C4'-P energy: -127.639 bonds (distance) P-C4' energy: -132.574 flat angles C4'-P-C4' energy: -152.032 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -231.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2349.994359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.994359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.994359 (E_RNA) where: Base-Base interactions energy: -1661.404 where: short stacking energy: -664.663 Base-Backbone interact. energy: 0.763 local terms energy: -689.353362 where: bonds (distance) C4'-P energy: -118.401 bonds (distance) P-C4' energy: -115.672 flat angles C4'-P-C4' energy: -158.082 flat angles P-C4'-P energy: -82.019 tors. eta vs tors. theta energy: -215.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2313.515772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.515772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.515772 (E_RNA) where: Base-Base interactions energy: -1626.416 where: short stacking energy: -633.918 Base-Backbone interact. energy: -0.106 local terms energy: -686.993219 where: bonds (distance) C4'-P energy: -118.460 bonds (distance) P-C4' energy: -120.352 flat angles C4'-P-C4' energy: -150.488 flat angles P-C4'-P energy: -100.111 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: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1855.089279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.089279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.089279 (E_RNA) where: Base-Base interactions energy: -1289.714 where: short stacking energy: -518.921 Base-Backbone interact. energy: -1.593 local terms energy: -563.782455 where: bonds (distance) C4'-P energy: -114.364 bonds (distance) P-C4' energy: -118.510 flat angles C4'-P-C4' energy: -121.198 flat angles P-C4'-P energy: -73.617 tors. eta vs tors. theta energy: -136.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1686.690907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.690907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.690907 (E_RNA) where: Base-Base interactions energy: -1153.949 where: short stacking energy: -498.097 Base-Backbone interact. energy: -1.664 local terms energy: -531.078309 where: bonds (distance) C4'-P energy: -102.816 bonds (distance) P-C4' energy: -84.970 flat angles C4'-P-C4' energy: -111.279 flat angles P-C4'-P energy: -86.097 tors. eta vs tors. theta energy: -145.916 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: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1352.588937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.588937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.588937 (E_RNA) where: Base-Base interactions energy: -883.725 where: short stacking energy: -418.362 Base-Backbone interact. energy: -1.844 local terms energy: -467.019941 where: bonds (distance) C4'-P energy: -109.169 bonds (distance) P-C4' energy: -98.918 flat angles C4'-P-C4' energy: -110.940 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: -81.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1031.909835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.909835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.909835 (E_RNA) where: Base-Base interactions energy: -611.065 where: short stacking energy: -307.675 Base-Backbone interact. energy: -2.595 local terms energy: -418.248905 where: bonds (distance) C4'-P energy: -89.690 bonds (distance) P-C4' energy: -125.376 flat angles C4'-P-C4' energy: -102.464 flat angles P-C4'-P energy: -67.930 tors. eta vs tors. theta energy: -32.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2668.596899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.596899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.596899 (E_RNA) where: Base-Base interactions energy: -1881.615 where: short stacking energy: -779.677 Base-Backbone interact. energy: -1.783 local terms energy: -785.198761 where: bonds (distance) C4'-P energy: -124.663 bonds (distance) P-C4' energy: -134.802 flat angles C4'-P-C4' energy: -163.409 flat angles P-C4'-P energy: -119.269 tors. eta vs tors. theta energy: -243.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2629.235463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.235463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.235463 (E_RNA) where: Base-Base interactions energy: -1856.524 where: short stacking energy: -788.690 Base-Backbone interact. energy: -0.254 local terms energy: -772.457412 where: bonds (distance) C4'-P energy: -145.301 bonds (distance) P-C4' energy: -128.475 flat angles C4'-P-C4' energy: -161.715 flat angles P-C4'-P energy: -94.522 tors. eta vs tors. theta energy: -242.444 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: 252 Temperature: 1.000000 Total energy: -2524.466994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.466994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.466994 (E_RNA) where: Base-Base interactions energy: -1783.383 where: short stacking energy: -758.151 Base-Backbone interact. energy: -1.290 local terms energy: -739.793637 where: bonds (distance) C4'-P energy: -128.554 bonds (distance) P-C4' energy: -134.463 flat angles C4'-P-C4' energy: -152.698 flat angles P-C4'-P energy: -101.968 tors. eta vs tors. theta energy: -222.109 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: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2467.685741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.685741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.685741 (E_RNA) where: Base-Base interactions energy: -1730.557 where: short stacking energy: -708.837 Base-Backbone interact. energy: -1.064 local terms energy: -736.065148 where: bonds (distance) C4'-P energy: -129.182 bonds (distance) P-C4' energy: -125.372 flat angles C4'-P-C4' energy: -149.313 flat angles P-C4'-P energy: -104.012 tors. eta vs tors. theta energy: -228.186 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: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2370.797966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.797966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.797966 (E_RNA) where: Base-Base interactions energy: -1697.034 where: short stacking energy: -699.696 Base-Backbone interact. energy: 1.569 local terms energy: -675.332913 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -117.644 flat angles C4'-P-C4' energy: -154.735 flat angles P-C4'-P energy: -90.488 tors. eta vs tors. theta energy: -222.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2324.575660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.575660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.575660 (E_RNA) where: Base-Base interactions energy: -1637.566 where: short stacking energy: -641.880 Base-Backbone interact. energy: -2.544 local terms energy: -684.465104 where: bonds (distance) C4'-P energy: -129.114 bonds (distance) P-C4' energy: -136.203 flat angles C4'-P-C4' energy: -135.874 flat angles P-C4'-P energy: -88.262 tors. eta vs tors. theta energy: -195.013 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: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1835.188109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.188109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.188109 (E_RNA) where: Base-Base interactions energy: -1279.635 where: short stacking energy: -563.791 Base-Backbone interact. energy: -2.104 local terms energy: -553.449046 where: bonds (distance) C4'-P energy: -100.995 bonds (distance) P-C4' energy: -115.384 flat angles C4'-P-C4' energy: -120.986 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: -138.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1718.157040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.157040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.157040 (E_RNA) where: Base-Base interactions energy: -1146.078 where: short stacking energy: -499.202 Base-Backbone interact. energy: 2.073 local terms energy: -574.152453 where: bonds (distance) C4'-P energy: -119.961 bonds (distance) P-C4' energy: -120.789 flat angles C4'-P-C4' energy: -125.422 flat angles P-C4'-P energy: -66.731 tors. eta vs tors. theta energy: -141.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1358.479052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.479052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.479052 (E_RNA) where: Base-Base interactions energy: -883.485 where: short stacking energy: -364.860 Base-Backbone interact. energy: -0.027 local terms energy: -474.967434 where: bonds (distance) C4'-P energy: -98.929 bonds (distance) P-C4' energy: -114.999 flat angles C4'-P-C4' energy: -102.073 flat angles P-C4'-P energy: -85.191 tors. eta vs tors. theta energy: -73.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1002.933908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.933908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.933908 (E_RNA) where: Base-Base interactions energy: -606.620 where: short stacking energy: -309.056 Base-Backbone interact. energy: -0.294 local terms energy: -396.020480 where: bonds (distance) C4'-P energy: -91.750 bonds (distance) P-C4' energy: -101.917 flat angles C4'-P-C4' energy: -91.844 flat angles P-C4'-P energy: -68.351 tors. eta vs tors. theta energy: -42.159 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: 253 Temperature: 0.900000 Total energy: -2688.536142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.536142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.536142 (E_RNA) where: Base-Base interactions energy: -1916.562 where: short stacking energy: -787.450 Base-Backbone interact. energy: -0.289 local terms energy: -771.685401 where: bonds (distance) C4'-P energy: -128.812 bonds (distance) P-C4' energy: -146.461 flat angles C4'-P-C4' energy: -159.116 flat angles P-C4'-P energy: -95.866 tors. eta vs tors. theta energy: -241.431 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: 2, replica: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2621.795908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.795908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.795908 (E_RNA) where: Base-Base interactions energy: -1844.705 where: short stacking energy: -767.547 Base-Backbone interact. energy: -1.113 local terms energy: -775.977019 where: bonds (distance) C4'-P energy: -126.699 bonds (distance) P-C4' energy: -140.417 flat angles C4'-P-C4' energy: -164.717 flat angles P-C4'-P energy: -105.589 tors. eta vs tors. theta energy: -238.554 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: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2505.565764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.565764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.565764 (E_RNA) where: Base-Base interactions energy: -1783.479 where: short stacking energy: -734.319 Base-Backbone interact. energy: 0.131 local terms energy: -722.216924 where: bonds (distance) C4'-P energy: -119.656 bonds (distance) P-C4' energy: -133.556 flat angles C4'-P-C4' energy: -143.660 flat angles P-C4'-P energy: -103.275 tors. eta vs tors. theta energy: -222.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2492.277766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.277766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.277766 (E_RNA) where: Base-Base interactions energy: -1766.220 where: short stacking energy: -736.567 Base-Backbone interact. energy: -1.663 local terms energy: -724.394347 where: bonds (distance) C4'-P energy: -105.925 bonds (distance) P-C4' energy: -119.205 flat angles C4'-P-C4' energy: -157.915 flat angles P-C4'-P energy: -100.576 tors. eta vs tors. theta energy: -240.774 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: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2363.039386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.039386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.039386 (E_RNA) where: Base-Base interactions energy: -1651.930 where: short stacking energy: -698.414 Base-Backbone interact. energy: -2.626 local terms energy: -708.483142 where: bonds (distance) C4'-P energy: -127.627 bonds (distance) P-C4' energy: -118.116 flat angles C4'-P-C4' energy: -145.571 flat angles P-C4'-P energy: -101.956 tors. eta vs tors. theta energy: -215.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2305.394007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.394007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.394007 (E_RNA) where: Base-Base interactions energy: -1629.653 where: short stacking energy: -665.258 Base-Backbone interact. energy: -0.650 local terms energy: -675.090265 where: bonds (distance) C4'-P energy: -115.704 bonds (distance) P-C4' energy: -123.703 flat angles C4'-P-C4' energy: -145.595 flat angles P-C4'-P energy: -91.216 tors. eta vs tors. theta energy: -198.873 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: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1854.839876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.839876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.839876 (E_RNA) where: Base-Base interactions energy: -1274.549 where: short stacking energy: -549.700 Base-Backbone interact. energy: 1.155 local terms energy: -581.445699 where: bonds (distance) C4'-P energy: -111.222 bonds (distance) P-C4' energy: -112.623 flat angles C4'-P-C4' energy: -133.860 flat angles P-C4'-P energy: -87.124 tors. eta vs tors. theta energy: -136.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1633.744846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.744846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.744846 (E_RNA) where: Base-Base interactions energy: -1081.013 where: short stacking energy: -481.166 Base-Backbone interact. energy: 1.125 local terms energy: -553.856934 where: bonds (distance) C4'-P energy: -118.507 bonds (distance) P-C4' energy: -126.790 flat angles C4'-P-C4' energy: -118.529 flat angles P-C4'-P energy: -58.956 tors. eta vs tors. theta energy: -131.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1348.525474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.525474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.525474 (E_RNA) where: Base-Base interactions energy: -861.531 where: short stacking energy: -373.735 Base-Backbone interact. energy: 1.233 local terms energy: -488.227342 where: bonds (distance) C4'-P energy: -113.055 bonds (distance) P-C4' energy: -120.832 flat angles C4'-P-C4' energy: -105.015 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -69.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1006.982536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.982536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.982536 (E_RNA) where: Base-Base interactions energy: -608.819 where: short stacking energy: -271.718 Base-Backbone interact. energy: -3.307 local terms energy: -394.856987 where: bonds (distance) C4'-P energy: -96.174 bonds (distance) P-C4' energy: -101.646 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -63.687 tors. eta vs tors. theta energy: -38.063 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: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2679.071980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.071980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.071980 (E_RNA) where: Base-Base interactions energy: -1928.799 where: short stacking energy: -783.294 Base-Backbone interact. energy: 1.022 local terms energy: -751.295337 where: bonds (distance) C4'-P energy: -124.002 bonds (distance) P-C4' energy: -135.680 flat angles C4'-P-C4' energy: -159.491 flat angles P-C4'-P energy: -96.462 tors. eta vs tors. theta energy: -235.661 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: 1 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2610.971334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.971334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.971334 (E_RNA) where: Base-Base interactions energy: -1842.063 where: short stacking energy: -754.463 Base-Backbone interact. energy: -2.119 local terms energy: -766.789561 where: bonds (distance) C4'-P energy: -135.432 bonds (distance) P-C4' energy: -136.599 flat angles C4'-P-C4' energy: -155.077 flat angles P-C4'-P energy: -100.690 tors. eta vs tors. theta energy: -238.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2504.262203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.262203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.262203 (E_RNA) where: Base-Base interactions energy: -1744.128 where: short stacking energy: -719.995 Base-Backbone interact. energy: -1.412 local terms energy: -758.722648 where: bonds (distance) C4'-P energy: -126.642 bonds (distance) P-C4' energy: -136.475 flat angles C4'-P-C4' energy: -156.173 flat angles P-C4'-P energy: -112.453 tors. eta vs tors. theta energy: -226.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2492.116907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.116907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.116907 (E_RNA) where: Base-Base interactions energy: -1747.510 where: short stacking energy: -724.319 Base-Backbone interact. energy: -0.839 local terms energy: -743.767464 where: bonds (distance) C4'-P energy: -111.526 bonds (distance) P-C4' energy: -141.612 flat angles C4'-P-C4' energy: -146.266 flat angles P-C4'-P energy: -108.348 tors. eta vs tors. theta energy: -236.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2338.457861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.457861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.457861 (E_RNA) where: Base-Base interactions energy: -1661.459 where: short stacking energy: -682.382 Base-Backbone interact. energy: -0.707 local terms energy: -676.291697 where: bonds (distance) C4'-P energy: -104.413 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -147.223 flat angles P-C4'-P energy: -91.192 tors. eta vs tors. theta energy: -223.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2249.397274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.397274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.397274 (E_RNA) where: Base-Base interactions energy: -1579.471 where: short stacking energy: -671.899 Base-Backbone interact. energy: 1.400 local terms energy: -671.326700 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -147.626 flat angles P-C4'-P energy: -95.612 tors. eta vs tors. theta energy: -205.474 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: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1840.293459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.293459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.293459 (E_RNA) where: Base-Base interactions energy: -1252.613 where: short stacking energy: -534.221 Base-Backbone interact. energy: -2.818 local terms energy: -584.862672 where: bonds (distance) C4'-P energy: -114.627 bonds (distance) P-C4' energy: -121.930 flat angles C4'-P-C4' energy: -114.374 flat angles P-C4'-P energy: -86.479 tors. eta vs tors. theta energy: -147.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1623.198842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.198842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.198842 (E_RNA) where: Base-Base interactions energy: -1072.832 where: short stacking energy: -463.571 Base-Backbone interact. energy: 0.764 local terms energy: -551.130230 where: bonds (distance) C4'-P energy: -99.564 bonds (distance) P-C4' energy: -106.143 flat angles C4'-P-C4' energy: -139.923 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: -117.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1385.314884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.314884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.314884 (E_RNA) where: Base-Base interactions energy: -885.579 where: short stacking energy: -378.054 Base-Backbone interact. energy: -1.790 local terms energy: -497.946674 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -132.514 flat angles C4'-P-C4' energy: -100.647 flat angles P-C4'-P energy: -73.987 tors. eta vs tors. theta energy: -79.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -977.420168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.420168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.420168 (E_RNA) where: Base-Base interactions energy: -582.506 where: short stacking energy: -269.301 Base-Backbone interact. energy: -2.644 local terms energy: -392.270004 where: bonds (distance) C4'-P energy: -119.184 bonds (distance) P-C4' energy: -91.783 flat angles C4'-P-C4' energy: -102.991 flat angles P-C4'-P energy: -56.611 tors. eta vs tors. theta energy: -21.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2691.639451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.639451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.639451 (E_RNA) where: Base-Base interactions energy: -1913.280 where: short stacking energy: -779.762 Base-Backbone interact. energy: 0.322 local terms energy: -778.681707 where: bonds (distance) C4'-P energy: -124.900 bonds (distance) P-C4' energy: -147.073 flat angles C4'-P-C4' energy: -152.494 flat angles P-C4'-P energy: -111.042 tors. eta vs tors. theta energy: -243.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2601.184508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.184508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.184508 (E_RNA) where: Base-Base interactions energy: -1853.932 where: short stacking energy: -762.571 Base-Backbone interact. energy: -2.271 local terms energy: -744.981068 where: bonds (distance) C4'-P energy: -131.381 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -151.805 flat angles P-C4'-P energy: -94.784 tors. eta vs tors. theta energy: -235.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2492.732451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.732451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.732451 (E_RNA) where: Base-Base interactions energy: -1761.280 where: short stacking energy: -731.476 Base-Backbone interact. energy: -0.312 local terms energy: -731.139974 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -130.270 flat angles C4'-P-C4' energy: -154.861 flat angles P-C4'-P energy: -106.158 tors. eta vs tors. theta energy: -216.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2468.139726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.139726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.139726 (E_RNA) where: Base-Base interactions energy: -1731.541 where: short stacking energy: -741.977 Base-Backbone interact. energy: 0.986 local terms energy: -737.584892 where: bonds (distance) C4'-P energy: -123.533 bonds (distance) P-C4' energy: -119.687 flat angles C4'-P-C4' energy: -158.664 flat angles P-C4'-P energy: -103.485 tors. eta vs tors. theta energy: -232.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2361.255327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.255327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.255327 (E_RNA) where: Base-Base interactions energy: -1662.697 where: short stacking energy: -682.230 Base-Backbone interact. energy: -2.711 local terms energy: -695.847851 where: bonds (distance) C4'-P energy: -115.563 bonds (distance) P-C4' energy: -121.733 flat angles C4'-P-C4' energy: -139.368 flat angles P-C4'-P energy: -104.557 tors. eta vs tors. theta energy: -214.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2241.143802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.143802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.143802 (E_RNA) where: Base-Base interactions energy: -1590.749 where: short stacking energy: -637.007 Base-Backbone interact. energy: 1.747 local terms energy: -652.141900 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -109.208 flat angles C4'-P-C4' energy: -137.107 flat angles P-C4'-P energy: -107.813 tors. eta vs tors. theta energy: -187.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1823.657014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.657014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.657014 (E_RNA) where: Base-Base interactions energy: -1271.642 where: short stacking energy: -538.833 Base-Backbone interact. energy: -2.874 local terms energy: -549.141012 where: bonds (distance) C4'-P energy: -98.593 bonds (distance) P-C4' energy: -90.124 flat angles C4'-P-C4' energy: -126.000 flat angles P-C4'-P energy: -85.239 tors. eta vs tors. theta energy: -149.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1654.198379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.198379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.198379 (E_RNA) where: Base-Base interactions energy: -1124.810 where: short stacking energy: -480.985 Base-Backbone interact. energy: 1.816 local terms energy: -531.205290 where: bonds (distance) C4'-P energy: -100.972 bonds (distance) P-C4' energy: -107.635 flat angles C4'-P-C4' energy: -126.396 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -123.054 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: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1383.633177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.633177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.633177 (E_RNA) where: Base-Base interactions energy: -917.104 where: short stacking energy: -372.362 Base-Backbone interact. energy: -3.429 local terms energy: -463.099674 where: bonds (distance) C4'-P energy: -102.294 bonds (distance) P-C4' energy: -106.952 flat angles C4'-P-C4' energy: -109.345 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -73.577 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: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1009.255997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.255997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.255997 (E_RNA) where: Base-Base interactions energy: -611.846 where: short stacking energy: -290.672 Base-Backbone interact. energy: -1.128 local terms energy: -396.281201 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -115.938 flat angles C4'-P-C4' energy: -99.593 flat angles P-C4'-P energy: -46.085 tors. eta vs tors. theta energy: -37.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2681.423840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.423840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.423840 (E_RNA) where: Base-Base interactions energy: -1907.590 where: short stacking energy: -782.318 Base-Backbone interact. energy: -2.491 local terms energy: -771.342740 where: bonds (distance) C4'-P energy: -138.834 bonds (distance) P-C4' energy: -145.934 flat angles C4'-P-C4' energy: -153.860 flat angles P-C4'-P energy: -98.471 tors. eta vs tors. theta energy: -234.243 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: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2598.138535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.138535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.138535 (E_RNA) where: Base-Base interactions energy: -1845.392 where: short stacking energy: -754.608 Base-Backbone interact. energy: -1.056 local terms energy: -751.691019 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -127.538 flat angles C4'-P-C4' energy: -154.094 flat angles P-C4'-P energy: -103.389 tors. eta vs tors. theta energy: -233.658 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: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2499.734353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.734353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.734353 (E_RNA) where: Base-Base interactions energy: -1798.449 where: short stacking energy: -758.487 Base-Backbone interact. energy: -0.759 local terms energy: -700.526436 where: bonds (distance) C4'-P energy: -94.247 bonds (distance) P-C4' energy: -134.925 flat angles C4'-P-C4' energy: -151.300 flat angles P-C4'-P energy: -91.700 tors. eta vs tors. theta energy: -228.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2463.492212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.492212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.492212 (E_RNA) where: Base-Base interactions energy: -1728.827 where: short stacking energy: -700.512 Base-Backbone interact. energy: -1.874 local terms energy: -732.791443 where: bonds (distance) C4'-P energy: -115.787 bonds (distance) P-C4' energy: -127.768 flat angles C4'-P-C4' energy: -161.444 flat angles P-C4'-P energy: -98.291 tors. eta vs tors. theta energy: -229.501 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: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2344.195137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.195137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.195137 (E_RNA) where: Base-Base interactions energy: -1611.634 where: short stacking energy: -671.220 Base-Backbone interact. energy: -1.979 local terms energy: -730.582236 where: bonds (distance) C4'-P energy: -127.786 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -145.276 flat angles P-C4'-P energy: -102.011 tors. eta vs tors. theta energy: -218.829 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: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2245.907503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.907503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.907503 (E_RNA) where: Base-Base interactions energy: -1617.441 where: short stacking energy: -651.874 Base-Backbone interact. energy: -0.964 local terms energy: -627.502572 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -114.777 flat angles C4'-P-C4' energy: -132.926 flat angles P-C4'-P energy: -71.868 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: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1809.707135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.707135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.707135 (E_RNA) where: Base-Base interactions energy: -1239.732 where: short stacking energy: -518.061 Base-Backbone interact. energy: 0.257 local terms energy: -570.231908 where: bonds (distance) C4'-P energy: -121.760 bonds (distance) P-C4' energy: -123.935 flat angles C4'-P-C4' energy: -124.223 flat angles P-C4'-P energy: -80.028 tors. eta vs tors. theta energy: -120.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1700.348005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.348005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.348005 (E_RNA) where: Base-Base interactions energy: -1147.017 where: short stacking energy: -509.590 Base-Backbone interact. energy: -1.786 local terms energy: -551.544993 where: bonds (distance) C4'-P energy: -100.235 bonds (distance) P-C4' energy: -113.019 flat angles C4'-P-C4' energy: -120.964 flat angles P-C4'-P energy: -89.704 tors. eta vs tors. theta energy: -127.623 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: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1402.003515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.003515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.003515 (E_RNA) where: Base-Base interactions energy: -964.011 where: short stacking energy: -416.691 Base-Backbone interact. energy: 0.477 local terms energy: -438.469545 where: bonds (distance) C4'-P energy: -86.596 bonds (distance) P-C4' energy: -96.564 flat angles C4'-P-C4' energy: -112.955 flat angles P-C4'-P energy: -70.225 tors. eta vs tors. theta energy: -72.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1027.857812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.857812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.857812 (E_RNA) where: Base-Base interactions energy: -656.196 where: short stacking energy: -310.313 Base-Backbone interact. energy: 6.194 local terms energy: -377.855869 where: bonds (distance) C4'-P energy: -80.764 bonds (distance) P-C4' energy: -89.949 flat angles C4'-P-C4' energy: -107.022 flat angles P-C4'-P energy: -43.873 tors. eta vs tors. theta energy: -56.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2681.071998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.071998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.071998 (E_RNA) where: Base-Base interactions energy: -1924.009 where: short stacking energy: -787.320 Base-Backbone interact. energy: -0.420 local terms energy: -756.643069 where: bonds (distance) C4'-P energy: -136.794 bonds (distance) P-C4' energy: -135.842 flat angles C4'-P-C4' energy: -154.379 flat angles P-C4'-P energy: -96.613 tors. eta vs tors. theta energy: -233.015 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: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2588.463240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.463240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.463240 (E_RNA) where: Base-Base interactions energy: -1867.088 where: short stacking energy: -779.396 Base-Backbone interact. energy: 0.158 local terms energy: -721.533076 where: bonds (distance) C4'-P energy: -121.258 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -148.195 flat angles P-C4'-P energy: -104.511 tors. eta vs tors. theta energy: -227.627 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: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2492.092031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.092031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.092031 (E_RNA) where: Base-Base interactions energy: -1769.114 where: short stacking energy: -719.901 Base-Backbone interact. energy: -0.211 local terms energy: -722.767089 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -135.046 flat angles C4'-P-C4' energy: -152.577 flat angles P-C4'-P energy: -87.837 tors. eta vs tors. theta energy: -220.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2468.696239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.696239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.696239 (E_RNA) where: Base-Base interactions energy: -1728.304 where: short stacking energy: -726.723 Base-Backbone interact. energy: -3.276 local terms energy: -737.116785 where: bonds (distance) C4'-P energy: -123.628 bonds (distance) P-C4' energy: -135.071 flat angles C4'-P-C4' energy: -138.388 flat angles P-C4'-P energy: -103.240 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: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2363.405274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.405274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.405274 (E_RNA) where: Base-Base interactions energy: -1666.888 where: short stacking energy: -679.903 Base-Backbone interact. energy: -0.669 local terms energy: -695.848414 where: bonds (distance) C4'-P energy: -123.339 bonds (distance) P-C4' energy: -120.500 flat angles C4'-P-C4' energy: -147.061 flat angles P-C4'-P energy: -88.451 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: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2245.784264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.784264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.784264 (E_RNA) where: Base-Base interactions energy: -1597.928 where: short stacking energy: -630.833 Base-Backbone interact. energy: -0.247 local terms energy: -647.608681 where: bonds (distance) C4'-P energy: -119.014 bonds (distance) P-C4' energy: -108.040 flat angles C4'-P-C4' energy: -148.960 flat angles P-C4'-P energy: -83.959 tors. eta vs tors. theta energy: -187.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1840.770269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.770269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.770269 (E_RNA) where: Base-Base interactions energy: -1264.735 where: short stacking energy: -526.372 Base-Backbone interact. energy: 0.827 local terms energy: -576.862370 where: bonds (distance) C4'-P energy: -99.334 bonds (distance) P-C4' energy: -120.620 flat angles C4'-P-C4' energy: -135.389 flat angles P-C4'-P energy: -81.999 tors. eta vs tors. theta energy: -139.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1733.000404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.000404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.000404 (E_RNA) where: Base-Base interactions energy: -1182.376 where: short stacking energy: -546.927 Base-Backbone interact. energy: -1.647 local terms energy: -548.977581 where: bonds (distance) C4'-P energy: -87.202 bonds (distance) P-C4' energy: -95.146 flat angles C4'-P-C4' energy: -137.994 flat angles P-C4'-P energy: -86.215 tors. eta vs tors. theta energy: -142.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1297.393263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.393263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.393263 (E_RNA) where: Base-Base interactions energy: -860.772 where: short stacking energy: -393.077 Base-Backbone interact. energy: 6.824 local terms energy: -443.444407 where: bonds (distance) C4'-P energy: -85.345 bonds (distance) P-C4' energy: -117.295 flat angles C4'-P-C4' energy: -108.344 flat angles P-C4'-P energy: -70.384 tors. eta vs tors. theta energy: -62.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1031.841975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.841975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.841975 (E_RNA) where: Base-Base interactions energy: -619.832 where: short stacking energy: -295.943 Base-Backbone interact. energy: 3.161 local terms energy: -415.171246 where: bonds (distance) C4'-P energy: -97.690 bonds (distance) P-C4' energy: -119.580 flat angles C4'-P-C4' energy: -96.443 flat angles P-C4'-P energy: -70.140 tors. eta vs tors. theta energy: -31.317 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: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2693.734865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.734865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.734865 (E_RNA) where: Base-Base interactions energy: -1899.409 where: short stacking energy: -746.211 Base-Backbone interact. energy: -1.728 local terms energy: -792.597902 where: bonds (distance) C4'-P energy: -130.835 bonds (distance) P-C4' energy: -145.032 flat angles C4'-P-C4' energy: -166.568 flat angles P-C4'-P energy: -109.049 tors. eta vs tors. theta energy: -241.113 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: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2595.006637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.006637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.006637 (E_RNA) where: Base-Base interactions energy: -1848.530 where: short stacking energy: -775.483 Base-Backbone interact. energy: -2.269 local terms energy: -744.207285 where: bonds (distance) C4'-P energy: -125.321 bonds (distance) P-C4' energy: -132.860 flat angles C4'-P-C4' energy: -148.609 flat angles P-C4'-P energy: -99.161 tors. eta vs tors. theta energy: -238.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2532.494114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.494114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.494114 (E_RNA) where: Base-Base interactions energy: -1798.315 where: short stacking energy: -758.271 Base-Backbone interact. energy: -1.037 local terms energy: -733.142174 where: bonds (distance) C4'-P energy: -128.469 bonds (distance) P-C4' energy: -116.941 flat angles C4'-P-C4' energy: -141.235 flat angles P-C4'-P energy: -107.143 tors. eta vs tors. theta energy: -239.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2462.332741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.332741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.332741 (E_RNA) where: Base-Base interactions energy: -1744.582 where: short stacking energy: -732.600 Base-Backbone interact. energy: 0.401 local terms energy: -718.150898 where: bonds (distance) C4'-P energy: -124.545 bonds (distance) P-C4' energy: -124.276 flat angles C4'-P-C4' energy: -139.968 flat angles P-C4'-P energy: -99.843 tors. eta vs tors. theta energy: -229.519 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: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2378.160518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.160518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.160518 (E_RNA) where: Base-Base interactions energy: -1651.687 where: short stacking energy: -677.825 Base-Backbone interact. energy: -1.295 local terms energy: -725.177961 where: bonds (distance) C4'-P energy: -129.155 bonds (distance) P-C4' energy: -122.432 flat angles C4'-P-C4' energy: -150.999 flat angles P-C4'-P energy: -99.704 tors. eta vs tors. theta energy: -222.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2210.895680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.895680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.895680 (E_RNA) where: Base-Base interactions energy: -1523.644 where: short stacking energy: -614.871 Base-Backbone interact. energy: -2.058 local terms energy: -685.193743 where: bonds (distance) C4'-P energy: -131.302 bonds (distance) P-C4' energy: -113.832 flat angles C4'-P-C4' energy: -148.003 flat angles P-C4'-P energy: -100.498 tors. eta vs tors. theta energy: -191.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1828.693026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.693026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.693026 (E_RNA) where: Base-Base interactions energy: -1262.187 where: short stacking energy: -527.309 Base-Backbone interact. energy: -2.452 local terms energy: -564.053919 where: bonds (distance) C4'-P energy: -109.502 bonds (distance) P-C4' energy: -107.719 flat angles C4'-P-C4' energy: -124.550 flat angles P-C4'-P energy: -80.343 tors. eta vs tors. theta energy: -141.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1728.388655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.388655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.388655 (E_RNA) where: Base-Base interactions energy: -1178.133 where: short stacking energy: -492.465 Base-Backbone interact. energy: -3.832 local terms energy: -546.423386 where: bonds (distance) C4'-P energy: -106.294 bonds (distance) P-C4' energy: -111.986 flat angles C4'-P-C4' energy: -115.782 flat angles P-C4'-P energy: -86.280 tors. eta vs tors. theta energy: -126.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1365.616350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.616350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.616350 (E_RNA) where: Base-Base interactions energy: -887.507 where: short stacking energy: -392.024 Base-Backbone interact. energy: -2.427 local terms energy: -475.682647 where: bonds (distance) C4'-P energy: -106.132 bonds (distance) P-C4' energy: -117.022 flat angles C4'-P-C4' energy: -112.893 flat angles P-C4'-P energy: -66.568 tors. eta vs tors. theta energy: -73.068 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: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1060.969775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.969775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.969775 (E_RNA) where: Base-Base interactions energy: -655.070 where: short stacking energy: -293.338 Base-Backbone interact. energy: -1.073 local terms energy: -404.826323 where: bonds (distance) C4'-P energy: -112.731 bonds (distance) P-C4' energy: -106.182 flat angles C4'-P-C4' energy: -84.560 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -41.131 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: 259 Temperature: 0.900000 Total energy: -2682.539553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.539553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.539553 (E_RNA) where: Base-Base interactions energy: -1925.833 where: short stacking energy: -772.021 Base-Backbone interact. energy: 0.145 local terms energy: -756.851751 where: bonds (distance) C4'-P energy: -125.394 bonds (distance) P-C4' energy: -142.532 flat angles C4'-P-C4' energy: -150.598 flat angles P-C4'-P energy: -104.679 tors. eta vs tors. theta energy: -233.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2615.412509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.412509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.412509 (E_RNA) where: Base-Base interactions energy: -1851.539 where: short stacking energy: -768.016 Base-Backbone interact. energy: -2.118 local terms energy: -761.756045 where: bonds (distance) C4'-P energy: -135.230 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -143.460 flat angles P-C4'-P energy: -110.789 tors. eta vs tors. theta energy: -237.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2542.700821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.700821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.700821 (E_RNA) where: Base-Base interactions energy: -1794.052 where: short stacking energy: -751.882 Base-Backbone interact. energy: -2.165 local terms energy: -746.483176 where: bonds (distance) C4'-P energy: -131.070 bonds (distance) P-C4' energy: -118.402 flat angles C4'-P-C4' energy: -155.108 flat angles P-C4'-P energy: -105.541 tors. eta vs tors. theta energy: -236.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2450.281450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.281450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.281450 (E_RNA) where: Base-Base interactions energy: -1716.814 where: short stacking energy: -707.817 Base-Backbone interact. energy: -0.783 local terms energy: -732.685063 where: bonds (distance) C4'-P energy: -118.836 bonds (distance) P-C4' energy: -121.064 flat angles C4'-P-C4' energy: -148.598 flat angles P-C4'-P energy: -111.585 tors. eta vs tors. theta energy: -232.603 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: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2396.233812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.233812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.233812 (E_RNA) where: Base-Base interactions energy: -1724.031 where: short stacking energy: -713.410 Base-Backbone interact. energy: -2.837 local terms energy: -669.365127 where: bonds (distance) C4'-P energy: -97.768 bonds (distance) P-C4' energy: -114.018 flat angles C4'-P-C4' energy: -143.902 flat angles P-C4'-P energy: -97.224 tors. eta vs tors. theta energy: -216.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2226.162806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.162806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.162806 (E_RNA) where: Base-Base interactions energy: -1586.457 where: short stacking energy: -645.354 Base-Backbone interact. energy: 4.210 local terms energy: -643.915057 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -114.278 flat angles C4'-P-C4' energy: -142.131 flat angles P-C4'-P energy: -90.924 tors. eta vs tors. theta energy: -190.815 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: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1859.182916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.182916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.182916 (E_RNA) where: Base-Base interactions energy: -1277.998 where: short stacking energy: -541.247 Base-Backbone interact. energy: -2.609 local terms energy: -578.575980 where: bonds (distance) C4'-P energy: -96.789 bonds (distance) P-C4' energy: -118.409 flat angles C4'-P-C4' energy: -132.070 flat angles P-C4'-P energy: -80.867 tors. eta vs tors. theta energy: -150.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1710.641770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.641770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.641770 (E_RNA) where: Base-Base interactions energy: -1174.067 where: short stacking energy: -485.831 Base-Backbone interact. energy: -4.216 local terms energy: -532.358671 where: bonds (distance) C4'-P energy: -106.407 bonds (distance) P-C4' energy: -118.774 flat angles C4'-P-C4' energy: -128.568 flat angles P-C4'-P energy: -69.010 tors. eta vs tors. theta energy: -109.600 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: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1426.897358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.897358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.897358 (E_RNA) where: Base-Base interactions energy: -941.365 where: short stacking energy: -403.152 Base-Backbone interact. energy: -2.869 local terms energy: -482.663992 where: bonds (distance) C4'-P energy: -106.515 bonds (distance) P-C4' energy: -106.312 flat angles C4'-P-C4' energy: -107.777 flat angles P-C4'-P energy: -67.923 tors. eta vs tors. theta energy: -94.136 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: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1123.094980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.094980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.094980 (E_RNA) where: Base-Base interactions energy: -695.891 where: short stacking energy: -323.422 Base-Backbone interact. energy: 3.084 local terms energy: -430.288479 where: bonds (distance) C4'-P energy: -133.553 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -94.004 flat angles P-C4'-P energy: -58.921 tors. eta vs tors. theta energy: -46.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2701.357211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.357211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.357211 (E_RNA) where: Base-Base interactions energy: -1915.710 where: short stacking energy: -772.673 Base-Backbone interact. energy: -3.059 local terms energy: -782.587891 where: bonds (distance) C4'-P energy: -138.583 bonds (distance) P-C4' energy: -145.499 flat angles C4'-P-C4' energy: -152.167 flat angles P-C4'-P energy: -107.794 tors. eta vs tors. theta energy: -238.546 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: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2614.977879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.977879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.977879 (E_RNA) where: Base-Base interactions energy: -1854.052 where: short stacking energy: -771.466 Base-Backbone interact. energy: -1.762 local terms energy: -759.163337 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -128.650 flat angles C4'-P-C4' energy: -164.091 flat angles P-C4'-P energy: -107.425 tors. eta vs tors. theta energy: -237.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2536.514848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.514848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.514848 (E_RNA) where: Base-Base interactions energy: -1795.030 where: short stacking energy: -763.580 Base-Backbone interact. energy: -0.458 local terms energy: -741.027212 where: bonds (distance) C4'-P energy: -124.646 bonds (distance) P-C4' energy: -133.121 flat angles C4'-P-C4' energy: -162.376 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -232.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2433.761534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.761534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.761534 (E_RNA) where: Base-Base interactions energy: -1719.104 where: short stacking energy: -709.734 Base-Backbone interact. energy: -2.396 local terms energy: -712.261276 where: bonds (distance) C4'-P energy: -113.924 bonds (distance) P-C4' energy: -121.114 flat angles C4'-P-C4' energy: -152.906 flat angles P-C4'-P energy: -109.784 tors. eta vs tors. theta energy: -214.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2379.600405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.600405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.600405 (E_RNA) where: Base-Base interactions energy: -1695.961 where: short stacking energy: -691.331 Base-Backbone interact. energy: -2.595 local terms energy: -681.044592 where: bonds (distance) C4'-P energy: -112.502 bonds (distance) P-C4' energy: -123.443 flat angles C4'-P-C4' energy: -147.196 flat angles P-C4'-P energy: -88.499 tors. eta vs tors. theta energy: -209.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2228.646773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.646773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.646773 (E_RNA) where: Base-Base interactions energy: -1577.504 where: short stacking energy: -614.976 Base-Backbone interact. energy: -1.038 local terms energy: -650.105166 where: bonds (distance) C4'-P energy: -132.348 bonds (distance) P-C4' energy: -120.718 flat angles C4'-P-C4' energy: -140.838 flat angles P-C4'-P energy: -73.445 tors. eta vs tors. theta energy: -182.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1879.658174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.658174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.658174 (E_RNA) where: Base-Base interactions energy: -1290.052 where: short stacking energy: -535.486 Base-Backbone interact. energy: 5.405 local terms energy: -595.011731 where: bonds (distance) C4'-P energy: -117.558 bonds (distance) P-C4' energy: -108.999 flat angles C4'-P-C4' energy: -139.481 flat angles P-C4'-P energy: -79.129 tors. eta vs tors. theta energy: -149.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1713.962143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.962143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.962143 (E_RNA) where: Base-Base interactions energy: -1152.775 where: short stacking energy: -480.575 Base-Backbone interact. energy: -1.911 local terms energy: -559.275818 where: bonds (distance) C4'-P energy: -88.661 bonds (distance) P-C4' energy: -111.970 flat angles C4'-P-C4' energy: -136.588 flat angles P-C4'-P energy: -82.260 tors. eta vs tors. theta energy: -139.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1443.036249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.036249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.036249 (E_RNA) where: Base-Base interactions energy: -930.526 where: short stacking energy: -421.381 Base-Backbone interact. energy: -2.904 local terms energy: -509.606778 where: bonds (distance) C4'-P energy: -109.962 bonds (distance) P-C4' energy: -114.206 flat angles C4'-P-C4' energy: -108.048 flat angles P-C4'-P energy: -80.575 tors. eta vs tors. theta energy: -96.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1157.787050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.787050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.787050 (E_RNA) where: Base-Base interactions energy: -735.078 where: short stacking energy: -321.143 Base-Backbone interact. energy: -2.001 local terms energy: -420.708159 where: bonds (distance) C4'-P energy: -94.347 bonds (distance) P-C4' energy: -126.281 flat angles C4'-P-C4' energy: -103.474 flat angles P-C4'-P energy: -49.825 tors. eta vs tors. theta energy: -46.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2698.283645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.283645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.283645 (E_RNA) where: Base-Base interactions energy: -1904.794 where: short stacking energy: -784.082 Base-Backbone interact. energy: 2.424 local terms energy: -795.913370 where: bonds (distance) C4'-P energy: -135.054 bonds (distance) P-C4' energy: -146.747 flat angles C4'-P-C4' energy: -160.240 flat angles P-C4'-P energy: -116.027 tors. eta vs tors. theta energy: -237.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2609.978438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.978438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.978438 (E_RNA) where: Base-Base interactions energy: -1847.730 where: short stacking energy: -767.737 Base-Backbone interact. energy: -2.684 local terms energy: -759.565067 where: bonds (distance) C4'-P energy: -122.857 bonds (distance) P-C4' energy: -124.420 flat angles C4'-P-C4' energy: -161.968 flat angles P-C4'-P energy: -110.144 tors. eta vs tors. theta energy: -240.176 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: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2499.915361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.915361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.915361 (E_RNA) where: Base-Base interactions energy: -1789.219 where: short stacking energy: -743.791 Base-Backbone interact. energy: -1.564 local terms energy: -709.132849 where: bonds (distance) C4'-P energy: -126.308 bonds (distance) P-C4' energy: -119.553 flat angles C4'-P-C4' energy: -147.489 flat angles P-C4'-P energy: -85.739 tors. eta vs tors. theta energy: -230.043 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: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2460.315019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.315019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.315019 (E_RNA) where: Base-Base interactions energy: -1719.781 where: short stacking energy: -743.418 Base-Backbone interact. energy: -0.569 local terms energy: -739.965233 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -129.379 flat angles C4'-P-C4' energy: -147.227 flat angles P-C4'-P energy: -87.628 tors. eta vs tors. theta energy: -237.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2382.127423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.127423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.127423 (E_RNA) where: Base-Base interactions energy: -1711.224 where: short stacking energy: -700.251 Base-Backbone interact. energy: -0.550 local terms energy: -670.352794 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -121.107 flat angles C4'-P-C4' energy: -147.376 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -202.047 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: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2238.169087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.169087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.169087 (E_RNA) where: Base-Base interactions energy: -1590.602 where: short stacking energy: -647.707 Base-Backbone interact. energy: -1.383 local terms energy: -646.184099 where: bonds (distance) C4'-P energy: -105.813 bonds (distance) P-C4' energy: -118.633 flat angles C4'-P-C4' energy: -141.705 flat angles P-C4'-P energy: -82.207 tors. eta vs tors. theta energy: -197.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1854.974880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.974880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.974880 (E_RNA) where: Base-Base interactions energy: -1234.863 where: short stacking energy: -536.932 Base-Backbone interact. energy: -2.708 local terms energy: -617.403600 where: bonds (distance) C4'-P energy: -119.041 bonds (distance) P-C4' energy: -132.383 flat angles C4'-P-C4' energy: -145.367 flat angles P-C4'-P energy: -60.429 tors. eta vs tors. theta energy: -160.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1746.586370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.586370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.586370 (E_RNA) where: Base-Base interactions energy: -1194.128 where: short stacking energy: -498.547 Base-Backbone interact. energy: 0.093 local terms energy: -552.550624 where: bonds (distance) C4'-P energy: -92.199 bonds (distance) P-C4' energy: -130.378 flat angles C4'-P-C4' energy: -118.511 flat angles P-C4'-P energy: -79.350 tors. eta vs tors. theta energy: -132.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1368.831472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.831472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.831472 (E_RNA) where: Base-Base interactions energy: -891.676 where: short stacking energy: -425.363 Base-Backbone interact. energy: -2.571 local terms energy: -474.584999 where: bonds (distance) C4'-P energy: -122.432 bonds (distance) P-C4' energy: -107.339 flat angles C4'-P-C4' energy: -107.921 flat angles P-C4'-P energy: -55.349 tors. eta vs tors. theta energy: -81.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1140.097579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.097579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.097579 (E_RNA) where: Base-Base interactions energy: -709.800 where: short stacking energy: -316.615 Base-Backbone interact. energy: 6.640 local terms energy: -436.936850 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -125.610 flat angles C4'-P-C4' energy: -101.221 flat angles P-C4'-P energy: -59.816 tors. eta vs tors. theta energy: -50.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2683.955380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.955380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.955380 (E_RNA) where: Base-Base interactions energy: -1937.495 where: short stacking energy: -771.192 Base-Backbone interact. energy: -0.486 local terms energy: -745.974311 where: bonds (distance) C4'-P energy: -144.742 bonds (distance) P-C4' energy: -120.759 flat angles C4'-P-C4' energy: -156.016 flat angles P-C4'-P energy: -89.866 tors. eta vs tors. theta energy: -234.592 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: 262 Temperature: 0.950000 Total energy: -2609.214048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.214048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.214048 (E_RNA) where: Base-Base interactions energy: -1852.819 where: short stacking energy: -768.066 Base-Backbone interact. energy: 2.583 local terms energy: -758.978276 where: bonds (distance) C4'-P energy: -127.179 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -159.317 flat angles P-C4'-P energy: -120.720 tors. eta vs tors. theta energy: -233.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2500.673132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.673132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.673132 (E_RNA) where: Base-Base interactions energy: -1758.732 where: short stacking energy: -743.456 Base-Backbone interact. energy: -1.732 local terms energy: -740.208389 where: bonds (distance) C4'-P energy: -118.443 bonds (distance) P-C4' energy: -130.433 flat angles C4'-P-C4' energy: -151.052 flat angles P-C4'-P energy: -109.542 tors. eta vs tors. theta energy: -230.739 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: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2455.470482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.470482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.470482 (E_RNA) where: Base-Base interactions energy: -1737.929 where: short stacking energy: -718.682 Base-Backbone interact. energy: -1.677 local terms energy: -715.864264 where: bonds (distance) C4'-P energy: -119.121 bonds (distance) P-C4' energy: -125.748 flat angles C4'-P-C4' energy: -148.222 flat angles P-C4'-P energy: -95.027 tors. eta vs tors. theta energy: -227.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2380.592651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.592651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.592651 (E_RNA) where: Base-Base interactions energy: -1689.752 where: short stacking energy: -712.582 Base-Backbone interact. energy: -2.214 local terms energy: -688.626947 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -127.887 flat angles C4'-P-C4' energy: -156.024 flat angles P-C4'-P energy: -69.869 tors. eta vs tors. theta energy: -218.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2260.978866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.978866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.978866 (E_RNA) where: Base-Base interactions energy: -1617.963 where: short stacking energy: -636.742 Base-Backbone interact. energy: -1.409 local terms energy: -641.607432 where: bonds (distance) C4'-P energy: -121.638 bonds (distance) P-C4' energy: -116.774 flat angles C4'-P-C4' energy: -131.029 flat angles P-C4'-P energy: -85.189 tors. eta vs tors. theta energy: -186.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1850.435230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.435230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.435230 (E_RNA) where: Base-Base interactions energy: -1251.348 where: short stacking energy: -501.268 Base-Backbone interact. energy: -1.158 local terms energy: -597.928843 where: bonds (distance) C4'-P energy: -130.966 bonds (distance) P-C4' energy: -99.278 flat angles C4'-P-C4' energy: -142.178 flat angles P-C4'-P energy: -69.786 tors. eta vs tors. theta energy: -155.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1764.783139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.783139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.783139 (E_RNA) where: Base-Base interactions energy: -1208.104 where: short stacking energy: -489.145 Base-Backbone interact. energy: -1.695 local terms energy: -554.983698 where: bonds (distance) C4'-P energy: -103.984 bonds (distance) P-C4' energy: -97.412 flat angles C4'-P-C4' energy: -128.396 flat angles P-C4'-P energy: -92.849 tors. eta vs tors. theta energy: -132.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1425.615344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.615344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.615344 (E_RNA) where: Base-Base interactions energy: -927.409 where: short stacking energy: -396.324 Base-Backbone interact. energy: -2.415 local terms energy: -495.791747 where: bonds (distance) C4'-P energy: -127.357 bonds (distance) P-C4' energy: -110.154 flat angles C4'-P-C4' energy: -112.659 flat angles P-C4'-P energy: -58.850 tors. eta vs tors. theta energy: -86.771 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: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1052.942293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.942293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.942293 (E_RNA) where: Base-Base interactions energy: -674.069 where: short stacking energy: -309.151 Base-Backbone interact. energy: -1.136 local terms energy: -377.737413 where: bonds (distance) C4'-P energy: -98.224 bonds (distance) P-C4' energy: -88.496 flat angles C4'-P-C4' energy: -93.722 flat angles P-C4'-P energy: -57.082 tors. eta vs tors. theta energy: -40.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2705.071098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.071098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.071098 (E_RNA) where: Base-Base interactions energy: -1905.349 where: short stacking energy: -780.399 Base-Backbone interact. energy: -1.657 local terms energy: -798.065598 where: bonds (distance) C4'-P energy: -149.076 bonds (distance) P-C4' energy: -148.661 flat angles C4'-P-C4' energy: -161.864 flat angles P-C4'-P energy: -105.326 tors. eta vs tors. theta energy: -233.138 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: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2596.816554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.816554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.816554 (E_RNA) where: Base-Base interactions energy: -1829.041 where: short stacking energy: -767.434 Base-Backbone interact. energy: 3.640 local terms energy: -771.415742 where: bonds (distance) C4'-P energy: -123.310 bonds (distance) P-C4' energy: -133.042 flat angles C4'-P-C4' energy: -162.877 flat angles P-C4'-P energy: -109.694 tors. eta vs tors. theta energy: -242.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2547.371918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.371918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.371918 (E_RNA) where: Base-Base interactions energy: -1806.967 where: short stacking energy: -765.025 Base-Backbone interact. energy: -0.175 local terms energy: -740.230051 where: bonds (distance) C4'-P energy: -125.411 bonds (distance) P-C4' energy: -126.132 flat angles C4'-P-C4' energy: -151.469 flat angles P-C4'-P energy: -103.616 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: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2463.950041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.950041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.950041 (E_RNA) where: Base-Base interactions energy: -1751.708 where: short stacking energy: -727.167 Base-Backbone interact. energy: -0.728 local terms energy: -711.514026 where: bonds (distance) C4'-P energy: -130.646 bonds (distance) P-C4' energy: -116.119 flat angles C4'-P-C4' energy: -152.606 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: -233.906 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: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2455.592511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.592511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.592511 (E_RNA) where: Base-Base interactions energy: -1760.068 where: short stacking energy: -727.696 Base-Backbone interact. energy: -1.631 local terms energy: -693.892792 where: bonds (distance) C4'-P energy: -113.653 bonds (distance) P-C4' energy: -114.769 flat angles C4'-P-C4' energy: -151.863 flat angles P-C4'-P energy: -87.348 tors. eta vs tors. theta energy: -226.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2265.812101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.812101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.812101 (E_RNA) where: Base-Base interactions energy: -1603.092 where: short stacking energy: -635.409 Base-Backbone interact. energy: 0.070 local terms energy: -662.790405 where: bonds (distance) C4'-P energy: -114.052 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -137.006 flat angles P-C4'-P energy: -79.535 tors. eta vs tors. theta energy: -209.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1878.191406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.191406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.191406 (E_RNA) where: Base-Base interactions energy: -1303.542 where: short stacking energy: -557.303 Base-Backbone interact. energy: -2.455 local terms energy: -572.194459 where: bonds (distance) C4'-P energy: -110.688 bonds (distance) P-C4' energy: -96.926 flat angles C4'-P-C4' energy: -129.320 flat angles P-C4'-P energy: -82.680 tors. eta vs tors. theta energy: -152.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1819.742874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.742874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.742874 (E_RNA) where: Base-Base interactions energy: -1276.282 where: short stacking energy: -536.530 Base-Backbone interact. energy: 0.063 local terms energy: -543.523535 where: bonds (distance) C4'-P energy: -99.453 bonds (distance) P-C4' energy: -98.892 flat angles C4'-P-C4' energy: -112.303 flat angles P-C4'-P energy: -72.111 tors. eta vs tors. theta energy: -160.763 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: 263 Temperature: 1.300000 Total energy: -1363.747522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.747522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.747522 (E_RNA) where: Base-Base interactions energy: -909.221 where: short stacking energy: -398.800 Base-Backbone interact. energy: 0.848 local terms energy: -455.373950 where: bonds (distance) C4'-P energy: -81.549 bonds (distance) P-C4' energy: -108.374 flat angles C4'-P-C4' energy: -112.826 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -91.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1087.038290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.038290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.038290 (E_RNA) where: Base-Base interactions energy: -655.363 where: short stacking energy: -292.119 Base-Backbone interact. energy: 0.510 local terms energy: -432.184926 where: bonds (distance) C4'-P energy: -105.553 bonds (distance) P-C4' energy: -107.315 flat angles C4'-P-C4' energy: -104.204 flat angles P-C4'-P energy: -74.194 tors. eta vs tors. theta energy: -40.919 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: 264 Temperature: 0.900000 Total energy: -2721.129852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.129852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.129852 (E_RNA) where: Base-Base interactions energy: -1959.901 where: short stacking energy: -781.785 Base-Backbone interact. energy: 1.007 local terms energy: -762.235744 where: bonds (distance) C4'-P energy: -137.436 bonds (distance) P-C4' energy: -132.398 flat angles C4'-P-C4' energy: -156.000 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -235.130 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: 264 Temperature: 0.950000 Total energy: -2594.111076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.111076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.111076 (E_RNA) where: Base-Base interactions energy: -1833.012 where: short stacking energy: -782.410 Base-Backbone interact. energy: -1.218 local terms energy: -759.880674 where: bonds (distance) C4'-P energy: -129.400 bonds (distance) P-C4' energy: -131.903 flat angles C4'-P-C4' energy: -153.475 flat angles P-C4'-P energy: -102.185 tors. eta vs tors. theta energy: -242.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2522.517200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.517200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.517200 (E_RNA) where: Base-Base interactions energy: -1765.236 where: short stacking energy: -744.934 Base-Backbone interact. energy: -0.847 local terms energy: -756.434362 where: bonds (distance) C4'-P energy: -127.438 bonds (distance) P-C4' energy: -138.284 flat angles C4'-P-C4' energy: -155.603 flat angles P-C4'-P energy: -100.756 tors. eta vs tors. theta energy: -234.353 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: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2472.209030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.209030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.209030 (E_RNA) where: Base-Base interactions energy: -1760.748 where: short stacking energy: -724.118 Base-Backbone interact. energy: -1.194 local terms energy: -710.267969 where: bonds (distance) C4'-P energy: -112.552 bonds (distance) P-C4' energy: -114.854 flat angles C4'-P-C4' energy: -149.641 flat angles P-C4'-P energy: -97.205 tors. eta vs tors. theta energy: -236.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2392.589819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.589819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.589819 (E_RNA) where: Base-Base interactions energy: -1702.590 where: short stacking energy: -702.219 Base-Backbone interact. energy: 0.716 local terms energy: -690.716017 where: bonds (distance) C4'-P energy: -115.138 bonds (distance) P-C4' energy: -117.125 flat angles C4'-P-C4' energy: -145.335 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -216.194 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: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2236.493197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.493197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.493197 (E_RNA) where: Base-Base interactions energy: -1573.443 where: short stacking energy: -648.048 Base-Backbone interact. energy: -1.660 local terms energy: -661.389363 where: bonds (distance) C4'-P energy: -113.139 bonds (distance) P-C4' energy: -124.485 flat angles C4'-P-C4' energy: -142.430 flat angles P-C4'-P energy: -86.696 tors. eta vs tors. theta energy: -194.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1891.868381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.868381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.868381 (E_RNA) where: Base-Base interactions energy: -1300.248 where: short stacking energy: -533.837 Base-Backbone interact. energy: -2.161 local terms energy: -589.459397 where: bonds (distance) C4'-P energy: -101.073 bonds (distance) P-C4' energy: -111.330 flat angles C4'-P-C4' energy: -135.249 flat angles P-C4'-P energy: -89.852 tors. eta vs tors. theta energy: -151.956 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: 264 Temperature: 1.250000 Total energy: -1739.068457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.068457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.068457 (E_RNA) where: Base-Base interactions energy: -1229.462 where: short stacking energy: -501.228 Base-Backbone interact. energy: 1.523 local terms energy: -511.129745 where: bonds (distance) C4'-P energy: -109.954 bonds (distance) P-C4' energy: -96.071 flat angles C4'-P-C4' energy: -115.207 flat angles P-C4'-P energy: -66.865 tors. eta vs tors. theta energy: -123.033 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: 264 Temperature: 1.300000 Total energy: -1387.910290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.910290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.910290 (E_RNA) where: Base-Base interactions energy: -877.479 where: short stacking energy: -389.120 Base-Backbone interact. energy: -3.080 local terms energy: -507.351092 where: bonds (distance) C4'-P energy: -114.921 bonds (distance) P-C4' energy: -134.391 flat angles C4'-P-C4' energy: -107.051 flat angles P-C4'-P energy: -81.108 tors. eta vs tors. theta energy: -69.880 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: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1031.204267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.204267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.204267 (E_RNA) where: Base-Base interactions energy: -657.166 where: short stacking energy: -286.104 Base-Backbone interact. energy: -0.436 local terms energy: -373.602574 where: bonds (distance) C4'-P energy: -92.099 bonds (distance) P-C4' energy: -103.164 flat angles C4'-P-C4' energy: -83.221 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: -40.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2710.342486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.342486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.342486 (E_RNA) where: Base-Base interactions energy: -1915.037 where: short stacking energy: -783.908 Base-Backbone interact. energy: -0.677 local terms energy: -794.627945 where: bonds (distance) C4'-P energy: -137.022 bonds (distance) P-C4' energy: -140.403 flat angles C4'-P-C4' energy: -160.260 flat angles P-C4'-P energy: -119.634 tors. eta vs tors. theta energy: -237.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2582.885400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.885400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.885400 (E_RNA) where: Base-Base interactions energy: -1840.729 where: short stacking energy: -758.423 Base-Backbone interact. energy: -2.232 local terms energy: -739.924163 where: bonds (distance) C4'-P energy: -116.898 bonds (distance) P-C4' energy: -122.709 flat angles C4'-P-C4' energy: -164.000 flat angles P-C4'-P energy: -103.859 tors. eta vs tors. theta energy: -232.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2550.909817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.909817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.909817 (E_RNA) where: Base-Base interactions energy: -1778.875 where: short stacking energy: -733.463 Base-Backbone interact. energy: 0.935 local terms energy: -772.969598 where: bonds (distance) C4'-P energy: -130.079 bonds (distance) P-C4' energy: -131.179 flat angles C4'-P-C4' energy: -156.814 flat angles P-C4'-P energy: -117.227 tors. eta vs tors. theta energy: -237.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2503.455659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.455659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.455659 (E_RNA) where: Base-Base interactions energy: -1738.918 where: short stacking energy: -728.519 Base-Backbone interact. energy: -1.661 local terms energy: -762.876679 where: bonds (distance) C4'-P energy: -130.502 bonds (distance) P-C4' energy: -141.687 flat angles C4'-P-C4' energy: -152.471 flat angles P-C4'-P energy: -109.865 tors. eta vs tors. theta energy: -228.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2374.040488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.040488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.040488 (E_RNA) where: Base-Base interactions energy: -1674.491 where: short stacking energy: -682.485 Base-Backbone interact. energy: -0.842 local terms energy: -698.707212 where: bonds (distance) C4'-P energy: -122.449 bonds (distance) P-C4' energy: -135.298 flat angles C4'-P-C4' energy: -138.944 flat angles P-C4'-P energy: -76.857 tors. eta vs tors. theta energy: -225.159 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: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2246.946621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.946621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.946621 (E_RNA) where: Base-Base interactions energy: -1610.304 where: short stacking energy: -647.966 Base-Backbone interact. energy: 4.618 local terms energy: -641.260468 where: bonds (distance) C4'-P energy: -104.581 bonds (distance) P-C4' energy: -110.648 flat angles C4'-P-C4' energy: -123.560 flat angles P-C4'-P energy: -96.084 tors. eta vs tors. theta energy: -206.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1948.388010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.388010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.388010 (E_RNA) where: Base-Base interactions energy: -1348.679 where: short stacking energy: -563.446 Base-Backbone interact. energy: -2.159 local terms energy: -597.549373 where: bonds (distance) C4'-P energy: -108.332 bonds (distance) P-C4' energy: -107.106 flat angles C4'-P-C4' energy: -144.344 flat angles P-C4'-P energy: -92.051 tors. eta vs tors. theta energy: -145.716 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: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1723.689744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.689744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.689744 (E_RNA) where: Base-Base interactions energy: -1199.743 where: short stacking energy: -475.124 Base-Backbone interact. energy: -0.557 local terms energy: -523.389412 where: bonds (distance) C4'-P energy: -104.683 bonds (distance) P-C4' energy: -111.843 flat angles C4'-P-C4' energy: -108.914 flat angles P-C4'-P energy: -71.713 tors. eta vs tors. theta energy: -126.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1369.353700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.353700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.353700 (E_RNA) where: Base-Base interactions energy: -902.266 where: short stacking energy: -397.654 Base-Backbone interact. energy: 2.570 local terms energy: -469.657175 where: bonds (distance) C4'-P energy: -118.127 bonds (distance) P-C4' energy: -111.319 flat angles C4'-P-C4' energy: -97.258 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -85.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -976.538918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.538918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.538918 (E_RNA) where: Base-Base interactions energy: -588.229 where: short stacking energy: -273.151 Base-Backbone interact. energy: -1.862 local terms energy: -386.448232 where: bonds (distance) C4'-P energy: -90.293 bonds (distance) P-C4' energy: -96.495 flat angles C4'-P-C4' energy: -103.849 flat angles P-C4'-P energy: -74.379 tors. eta vs tors. theta energy: -21.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2695.256396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.256396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.256396 (E_RNA) where: Base-Base interactions energy: -1901.743 where: short stacking energy: -771.534 Base-Backbone interact. energy: -3.067 local terms energy: -790.446597 where: bonds (distance) C4'-P energy: -139.018 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -159.565 flat angles P-C4'-P energy: -100.166 tors. eta vs tors. theta energy: -242.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2585.742732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.742732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.742732 (E_RNA) where: Base-Base interactions energy: -1815.193 where: short stacking energy: -749.534 Base-Backbone interact. energy: -0.309 local terms energy: -770.240058 where: bonds (distance) C4'-P energy: -138.238 bonds (distance) P-C4' energy: -127.471 flat angles C4'-P-C4' energy: -165.565 flat angles P-C4'-P energy: -113.339 tors. eta vs tors. theta energy: -225.627 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: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2499.580175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.580175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.580175 (E_RNA) where: Base-Base interactions energy: -1785.674 where: short stacking energy: -723.577 Base-Backbone interact. energy: -1.357 local terms energy: -712.548845 where: bonds (distance) C4'-P energy: -131.877 bonds (distance) P-C4' energy: -107.530 flat angles C4'-P-C4' energy: -151.098 flat angles P-C4'-P energy: -98.637 tors. eta vs tors. theta energy: -223.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2493.364808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.364808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.364808 (E_RNA) where: Base-Base interactions energy: -1768.730 where: short stacking energy: -750.709 Base-Backbone interact. energy: 2.493 local terms energy: -727.127548 where: bonds (distance) C4'-P energy: -127.711 bonds (distance) P-C4' energy: -125.559 flat angles C4'-P-C4' energy: -138.927 flat angles P-C4'-P energy: -107.374 tors. eta vs tors. theta energy: -227.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2433.355793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.355793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.355793 (E_RNA) where: Base-Base interactions energy: -1712.166 where: short stacking energy: -708.089 Base-Backbone interact. energy: -2.874 local terms energy: -718.316182 where: bonds (distance) C4'-P energy: -119.861 bonds (distance) P-C4' energy: -105.746 flat angles C4'-P-C4' energy: -151.800 flat angles P-C4'-P energy: -115.421 tors. eta vs tors. theta energy: -225.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2286.806965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.806965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.806965 (E_RNA) where: Base-Base interactions energy: -1615.428 where: short stacking energy: -655.970 Base-Backbone interact. energy: -1.109 local terms energy: -670.269798 where: bonds (distance) C4'-P energy: -113.149 bonds (distance) P-C4' energy: -123.586 flat angles C4'-P-C4' energy: -136.909 flat angles P-C4'-P energy: -92.421 tors. eta vs tors. theta energy: -204.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1851.144054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.144054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.144054 (E_RNA) where: Base-Base interactions energy: -1271.773 where: short stacking energy: -549.488 Base-Backbone interact. energy: -0.784 local terms energy: -578.587235 where: bonds (distance) C4'-P energy: -106.319 bonds (distance) P-C4' energy: -124.447 flat angles C4'-P-C4' energy: -122.988 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -140.431 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: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1674.651817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.651817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.651817 (E_RNA) where: Base-Base interactions energy: -1138.615 where: short stacking energy: -491.809 Base-Backbone interact. energy: -1.990 local terms energy: -534.046517 where: bonds (distance) C4'-P energy: -105.773 bonds (distance) P-C4' energy: -119.874 flat angles C4'-P-C4' energy: -116.301 flat angles P-C4'-P energy: -73.783 tors. eta vs tors. theta energy: -118.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1387.245829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.245829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.245829 (E_RNA) where: Base-Base interactions energy: -930.261 where: short stacking energy: -405.595 Base-Backbone interact. energy: 1.101 local terms energy: -458.085656 where: bonds (distance) C4'-P energy: -100.835 bonds (distance) P-C4' energy: -92.215 flat angles C4'-P-C4' energy: -99.341 flat angles P-C4'-P energy: -80.748 tors. eta vs tors. theta energy: -84.946 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: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -986.321811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.321811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.321811 (E_RNA) where: Base-Base interactions energy: -584.359 where: short stacking energy: -275.650 Base-Backbone interact. energy: 0.068 local terms energy: -402.030540 where: bonds (distance) C4'-P energy: -103.876 bonds (distance) P-C4' energy: -106.807 flat angles C4'-P-C4' energy: -103.500 flat angles P-C4'-P energy: -60.261 tors. eta vs tors. theta energy: -27.586 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: 267 Temperature: 0.900000 Total energy: -2686.759088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.759088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.759088 (E_RNA) where: Base-Base interactions energy: -1895.098 where: short stacking energy: -775.172 Base-Backbone interact. energy: 0.255 local terms energy: -791.915844 where: bonds (distance) C4'-P energy: -144.010 bonds (distance) P-C4' energy: -138.599 flat angles C4'-P-C4' energy: -155.098 flat angles P-C4'-P energy: -109.033 tors. eta vs tors. theta energy: -245.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2565.791440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.791440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.791440 (E_RNA) where: Base-Base interactions energy: -1809.217 where: short stacking energy: -760.354 Base-Backbone interact. energy: -1.726 local terms energy: -754.848506 where: bonds (distance) C4'-P energy: -128.264 bonds (distance) P-C4' energy: -129.227 flat angles C4'-P-C4' energy: -162.226 flat angles P-C4'-P energy: -100.065 tors. eta vs tors. theta energy: -235.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2531.273041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.273041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.273041 (E_RNA) where: Base-Base interactions energy: -1767.043 where: short stacking energy: -748.866 Base-Backbone interact. energy: -2.786 local terms energy: -761.443686 where: bonds (distance) C4'-P energy: -137.970 bonds (distance) P-C4' energy: -128.723 flat angles C4'-P-C4' energy: -150.865 flat angles P-C4'-P energy: -111.259 tors. eta vs tors. theta energy: -232.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2460.837929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.837929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.837929 (E_RNA) where: Base-Base interactions energy: -1756.951 where: short stacking energy: -750.542 Base-Backbone interact. energy: -1.091 local terms energy: -702.795190 where: bonds (distance) C4'-P energy: -110.249 bonds (distance) P-C4' energy: -118.845 flat angles C4'-P-C4' energy: -148.247 flat angles P-C4'-P energy: -97.917 tors. eta vs tors. theta energy: -227.538 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: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2414.375438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.375438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.375438 (E_RNA) where: Base-Base interactions energy: -1689.326 where: short stacking energy: -714.604 Base-Backbone interact. energy: 1.381 local terms energy: -726.430642 where: bonds (distance) C4'-P energy: -113.663 bonds (distance) P-C4' energy: -137.028 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -100.284 tors. eta vs tors. theta energy: -228.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2301.924640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.924640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.924640 (E_RNA) where: Base-Base interactions energy: -1654.768 where: short stacking energy: -652.123 Base-Backbone interact. energy: -2.332 local terms energy: -644.825043 where: bonds (distance) C4'-P energy: -119.875 bonds (distance) P-C4' energy: -108.139 flat angles C4'-P-C4' energy: -143.544 flat angles P-C4'-P energy: -77.843 tors. eta vs tors. theta energy: -195.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1825.218056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.218056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.218056 (E_RNA) where: Base-Base interactions energy: -1273.622 where: short stacking energy: -512.425 Base-Backbone interact. energy: -0.820 local terms energy: -550.776152 where: bonds (distance) C4'-P energy: -101.653 bonds (distance) P-C4' energy: -119.270 flat angles C4'-P-C4' energy: -114.994 flat angles P-C4'-P energy: -87.768 tors. eta vs tors. theta energy: -127.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1773.692169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.692169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.692169 (E_RNA) where: Base-Base interactions energy: -1207.644 where: short stacking energy: -500.626 Base-Backbone interact. energy: 1.395 local terms energy: -567.443687 where: bonds (distance) C4'-P energy: -103.973 bonds (distance) P-C4' energy: -113.191 flat angles C4'-P-C4' energy: -140.316 flat angles P-C4'-P energy: -80.185 tors. eta vs tors. theta energy: -129.778 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: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1399.428584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.428584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.428584 (E_RNA) where: Base-Base interactions energy: -946.001 where: short stacking energy: -416.703 Base-Backbone interact. energy: -3.016 local terms energy: -450.411780 where: bonds (distance) C4'-P energy: -104.163 bonds (distance) P-C4' energy: -87.339 flat angles C4'-P-C4' energy: -115.998 flat angles P-C4'-P energy: -58.769 tors. eta vs tors. theta energy: -84.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1003.980540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.980540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.980540 (E_RNA) where: Base-Base interactions energy: -599.888 where: short stacking energy: -301.790 Base-Backbone interact. energy: 5.838 local terms energy: -409.930107 where: bonds (distance) C4'-P energy: -106.584 bonds (distance) P-C4' energy: -104.902 flat angles C4'-P-C4' energy: -84.959 flat angles P-C4'-P energy: -74.474 tors. eta vs tors. theta energy: -39.011 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: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2702.756138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.756138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.756138 (E_RNA) where: Base-Base interactions energy: -1928.055 where: short stacking energy: -783.854 Base-Backbone interact. energy: -1.811 local terms energy: -772.890861 where: bonds (distance) C4'-P energy: -116.194 bonds (distance) P-C4' energy: -131.688 flat angles C4'-P-C4' energy: -163.242 flat angles P-C4'-P energy: -113.508 tors. eta vs tors. theta energy: -248.259 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: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2592.560770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.560770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.560770 (E_RNA) where: Base-Base interactions energy: -1841.045 where: short stacking energy: -776.022 Base-Backbone interact. energy: -2.414 local terms energy: -749.102210 where: bonds (distance) C4'-P energy: -121.582 bonds (distance) P-C4' energy: -141.723 flat angles C4'-P-C4' energy: -158.036 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -235.668 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: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2529.953604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.953604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.953604 (E_RNA) where: Base-Base interactions energy: -1770.654 where: short stacking energy: -739.306 Base-Backbone interact. energy: -1.449 local terms energy: -757.850005 where: bonds (distance) C4'-P energy: -119.944 bonds (distance) P-C4' energy: -136.381 flat angles C4'-P-C4' energy: -160.985 flat angles P-C4'-P energy: -100.896 tors. eta vs tors. theta energy: -239.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2418.980975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.980975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.980975 (E_RNA) where: Base-Base interactions energy: -1679.600 where: short stacking energy: -692.553 Base-Backbone interact. energy: -1.248 local terms energy: -738.132908 where: bonds (distance) C4'-P energy: -130.631 bonds (distance) P-C4' energy: -134.003 flat angles C4'-P-C4' energy: -154.535 flat angles P-C4'-P energy: -96.018 tors. eta vs tors. theta energy: -222.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2398.462167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.462167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.462167 (E_RNA) where: Base-Base interactions energy: -1703.950 where: short stacking energy: -711.366 Base-Backbone interact. energy: 0.234 local terms energy: -694.745814 where: bonds (distance) C4'-P energy: -126.943 bonds (distance) P-C4' energy: -130.506 flat angles C4'-P-C4' energy: -133.345 flat angles P-C4'-P energy: -95.578 tors. eta vs tors. theta energy: -208.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2275.044231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.044231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.044231 (E_RNA) where: Base-Base interactions energy: -1612.998 where: short stacking energy: -642.314 Base-Backbone interact. energy: -3.244 local terms energy: -658.802315 where: bonds (distance) C4'-P energy: -115.262 bonds (distance) P-C4' energy: -112.329 flat angles C4'-P-C4' energy: -143.611 flat angles P-C4'-P energy: -100.960 tors. eta vs tors. theta energy: -186.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1887.318153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.318153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.318153 (E_RNA) where: Base-Base interactions energy: -1269.742 where: short stacking energy: -565.056 Base-Backbone interact. energy: -2.961 local terms energy: -614.614950 where: bonds (distance) C4'-P energy: -125.757 bonds (distance) P-C4' energy: -102.543 flat angles C4'-P-C4' energy: -135.079 flat angles P-C4'-P energy: -79.324 tors. eta vs tors. theta energy: -171.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1754.051051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.051051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.051051 (E_RNA) where: Base-Base interactions energy: -1207.395 where: short stacking energy: -507.098 Base-Backbone interact. energy: -1.036 local terms energy: -545.620442 where: bonds (distance) C4'-P energy: -110.775 bonds (distance) P-C4' energy: -128.368 flat angles C4'-P-C4' energy: -115.397 flat angles P-C4'-P energy: -60.132 tors. eta vs tors. theta energy: -130.949 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: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1393.016780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.016780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.016780 (E_RNA) where: Base-Base interactions energy: -915.857 where: short stacking energy: -387.057 Base-Backbone interact. energy: -0.818 local terms energy: -476.341784 where: bonds (distance) C4'-P energy: -101.467 bonds (distance) P-C4' energy: -96.209 flat angles C4'-P-C4' energy: -111.788 flat angles P-C4'-P energy: -72.762 tors. eta vs tors. theta energy: -94.115 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: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -938.380087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.380087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.380087 (E_RNA) where: Base-Base interactions energy: -559.447 where: short stacking energy: -280.610 Base-Backbone interact. energy: -1.125 local terms energy: -377.808149 where: bonds (distance) C4'-P energy: -99.733 bonds (distance) P-C4' energy: -93.049 flat angles C4'-P-C4' energy: -85.877 flat angles P-C4'-P energy: -68.018 tors. eta vs tors. theta energy: -31.131 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: 269 Temperature: 0.900000 Total energy: -2707.750536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.750536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.750536 (E_RNA) where: Base-Base interactions energy: -1923.797 where: short stacking energy: -783.668 Base-Backbone interact. energy: -1.132 local terms energy: -782.821880 where: bonds (distance) C4'-P energy: -127.572 bonds (distance) P-C4' energy: -140.610 flat angles C4'-P-C4' energy: -163.613 flat angles P-C4'-P energy: -119.782 tors. eta vs tors. theta energy: -231.244 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: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2556.023233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.023233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.023233 (E_RNA) where: Base-Base interactions energy: -1827.031 where: short stacking energy: -738.683 Base-Backbone interact. energy: -0.884 local terms energy: -728.108329 where: bonds (distance) C4'-P energy: -117.821 bonds (distance) P-C4' energy: -127.624 flat angles C4'-P-C4' energy: -157.423 flat angles P-C4'-P energy: -93.797 tors. eta vs tors. theta energy: -231.444 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: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2523.969584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.969584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.969584 (E_RNA) where: Base-Base interactions energy: -1764.908 where: short stacking energy: -737.420 Base-Backbone interact. energy: -0.915 local terms energy: -758.146337 where: bonds (distance) C4'-P energy: -125.269 bonds (distance) P-C4' energy: -136.870 flat angles C4'-P-C4' energy: -158.289 flat angles P-C4'-P energy: -107.905 tors. eta vs tors. theta energy: -229.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2464.254156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.254156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.254156 (E_RNA) where: Base-Base interactions energy: -1760.660 where: short stacking energy: -731.341 Base-Backbone interact. energy: -0.486 local terms energy: -703.107771 where: bonds (distance) C4'-P energy: -119.681 bonds (distance) P-C4' energy: -120.336 flat angles C4'-P-C4' energy: -153.900 flat angles P-C4'-P energy: -92.236 tors. eta vs tors. theta energy: -216.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2358.232547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.232547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.232547 (E_RNA) where: Base-Base interactions energy: -1658.771 where: short stacking energy: -682.866 Base-Backbone interact. energy: -1.309 local terms energy: -698.152942 where: bonds (distance) C4'-P energy: -124.325 bonds (distance) P-C4' energy: -124.551 flat angles C4'-P-C4' energy: -139.638 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -210.493 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: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2284.658023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.658023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.658023 (E_RNA) where: Base-Base interactions energy: -1621.158 where: short stacking energy: -632.293 Base-Backbone interact. energy: -2.968 local terms energy: -660.532530 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -121.453 flat angles C4'-P-C4' energy: -132.545 flat angles P-C4'-P energy: -97.363 tors. eta vs tors. theta energy: -195.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1896.592006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.592006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.592006 (E_RNA) where: Base-Base interactions energy: -1308.046 where: short stacking energy: -553.902 Base-Backbone interact. energy: -2.549 local terms energy: -585.996628 where: bonds (distance) C4'-P energy: -111.511 bonds (distance) P-C4' energy: -110.963 flat angles C4'-P-C4' energy: -133.753 flat angles P-C4'-P energy: -75.026 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: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1750.764309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.764309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.764309 (E_RNA) where: Base-Base interactions energy: -1204.201 where: short stacking energy: -484.665 Base-Backbone interact. energy: -2.782 local terms energy: -543.781367 where: bonds (distance) C4'-P energy: -104.142 bonds (distance) P-C4' energy: -111.835 flat angles C4'-P-C4' energy: -121.991 flat angles P-C4'-P energy: -70.199 tors. eta vs tors. theta energy: -135.614 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: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1407.267613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.267613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.267613 (E_RNA) where: Base-Base interactions energy: -901.877 where: short stacking energy: -358.520 Base-Backbone interact. energy: 1.035 local terms energy: -506.425802 where: bonds (distance) C4'-P energy: -103.465 bonds (distance) P-C4' energy: -121.403 flat angles C4'-P-C4' energy: -111.127 flat angles P-C4'-P energy: -95.459 tors. eta vs tors. theta energy: -74.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -959.115454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.115454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.115454 (E_RNA) where: Base-Base interactions energy: -562.769 where: short stacking energy: -270.532 Base-Backbone interact. energy: -1.639 local terms energy: -394.707399 where: bonds (distance) C4'-P energy: -93.411 bonds (distance) P-C4' energy: -106.053 flat angles C4'-P-C4' energy: -116.117 flat angles P-C4'-P energy: -41.658 tors. eta vs tors. theta energy: -37.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2692.949797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.949797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.949797 (E_RNA) where: Base-Base interactions energy: -1919.784 where: short stacking energy: -789.424 Base-Backbone interact. energy: -2.927 local terms energy: -770.238601 where: bonds (distance) C4'-P energy: -133.703 bonds (distance) P-C4' energy: -133.411 flat angles C4'-P-C4' energy: -158.205 flat angles P-C4'-P energy: -107.797 tors. eta vs tors. theta energy: -237.124 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: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2594.354871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.354871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.354871 (E_RNA) where: Base-Base interactions energy: -1821.396 where: short stacking energy: -749.136 Base-Backbone interact. energy: -2.166 local terms energy: -770.792577 where: bonds (distance) C4'-P energy: -136.791 bonds (distance) P-C4' energy: -135.091 flat angles C4'-P-C4' energy: -156.959 flat angles P-C4'-P energy: -111.975 tors. eta vs tors. theta energy: -229.976 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: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2514.119731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.119731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.119731 (E_RNA) where: Base-Base interactions energy: -1749.855 where: short stacking energy: -716.683 Base-Backbone interact. energy: -2.348 local terms energy: -761.916434 where: bonds (distance) C4'-P energy: -130.532 bonds (distance) P-C4' energy: -130.472 flat angles C4'-P-C4' energy: -158.508 flat angles P-C4'-P energy: -113.033 tors. eta vs tors. theta energy: -229.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2472.110260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.110260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.110260 (E_RNA) where: Base-Base interactions energy: -1740.360 where: short stacking energy: -708.560 Base-Backbone interact. energy: -1.144 local terms energy: -730.605795 where: bonds (distance) C4'-P energy: -128.494 bonds (distance) P-C4' energy: -130.561 flat angles C4'-P-C4' energy: -146.821 flat angles P-C4'-P energy: -100.950 tors. eta vs tors. theta energy: -223.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2380.525865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.525865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.525865 (E_RNA) where: Base-Base interactions energy: -1702.534 where: short stacking energy: -696.786 Base-Backbone interact. energy: 1.213 local terms energy: -679.204907 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -116.335 flat angles C4'-P-C4' energy: -135.721 flat angles P-C4'-P energy: -91.183 tors. eta vs tors. theta energy: -227.428 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: 270 Temperature: 1.150000 Total energy: -2312.543735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.543735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.543735 (E_RNA) where: Base-Base interactions energy: -1668.713 where: short stacking energy: -674.767 Base-Backbone interact. energy: -2.214 local terms energy: -641.617620 where: bonds (distance) C4'-P energy: -103.017 bonds (distance) P-C4' energy: -116.253 flat angles C4'-P-C4' energy: -132.472 flat angles P-C4'-P energy: -88.269 tors. eta vs tors. theta energy: -201.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1935.839516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.839516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.839516 (E_RNA) where: Base-Base interactions energy: -1335.629 where: short stacking energy: -561.392 Base-Backbone interact. energy: -1.102 local terms energy: -599.108411 where: bonds (distance) C4'-P energy: -117.903 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -126.035 flat angles P-C4'-P energy: -74.605 tors. eta vs tors. theta energy: -161.940 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: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1737.450932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.450932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.450932 (E_RNA) where: Base-Base interactions energy: -1198.348 where: short stacking energy: -493.414 Base-Backbone interact. energy: 0.946 local terms energy: -540.049670 where: bonds (distance) C4'-P energy: -121.725 bonds (distance) P-C4' energy: -103.614 flat angles C4'-P-C4' energy: -104.543 flat angles P-C4'-P energy: -79.092 tors. eta vs tors. theta energy: -131.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1435.407585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.407585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.407585 (E_RNA) where: Base-Base interactions energy: -950.489 where: short stacking energy: -413.005 Base-Backbone interact. energy: 1.221 local terms energy: -486.139255 where: bonds (distance) C4'-P energy: -114.294 bonds (distance) P-C4' energy: -106.837 flat angles C4'-P-C4' energy: -112.083 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -90.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1002.293050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.293050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.293050 (E_RNA) where: Base-Base interactions energy: -583.551 where: short stacking energy: -292.558 Base-Backbone interact. energy: -0.610 local terms energy: -418.132815 where: bonds (distance) C4'-P energy: -105.068 bonds (distance) P-C4' energy: -116.010 flat angles C4'-P-C4' energy: -101.506 flat angles P-C4'-P energy: -57.485 tors. eta vs tors. theta energy: -38.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2709.564821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.564821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.564821 (E_RNA) where: Base-Base interactions energy: -1937.525 where: short stacking energy: -784.639 Base-Backbone interact. energy: -0.378 local terms energy: -771.661508 where: bonds (distance) C4'-P energy: -135.264 bonds (distance) P-C4' energy: -126.470 flat angles C4'-P-C4' energy: -173.316 flat angles P-C4'-P energy: -100.854 tors. eta vs tors. theta energy: -235.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2554.841511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.841511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.841511 (E_RNA) where: Base-Base interactions energy: -1816.922 where: short stacking energy: -766.653 Base-Backbone interact. energy: -2.311 local terms energy: -735.608482 where: bonds (distance) C4'-P energy: -115.168 bonds (distance) P-C4' energy: -132.448 flat angles C4'-P-C4' energy: -151.571 flat angles P-C4'-P energy: -109.273 tors. eta vs tors. theta energy: -227.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2518.322264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.322264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.322264 (E_RNA) where: Base-Base interactions energy: -1773.119 where: short stacking energy: -750.996 Base-Backbone interact. energy: -1.289 local terms energy: -743.914186 where: bonds (distance) C4'-P energy: -117.619 bonds (distance) P-C4' energy: -122.662 flat angles C4'-P-C4' energy: -157.554 flat angles P-C4'-P energy: -105.295 tors. eta vs tors. theta energy: -240.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2490.546686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.546686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.546686 (E_RNA) where: Base-Base interactions energy: -1762.868 where: short stacking energy: -746.341 Base-Backbone interact. energy: 3.081 local terms energy: -730.760296 where: bonds (distance) C4'-P energy: -127.737 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -147.298 flat angles P-C4'-P energy: -97.105 tors. eta vs tors. theta energy: -229.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2409.537906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.537906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.537906 (E_RNA) where: Base-Base interactions energy: -1731.933 where: short stacking energy: -730.473 Base-Backbone interact. energy: -1.769 local terms energy: -675.835537 where: bonds (distance) C4'-P energy: -97.798 bonds (distance) P-C4' energy: -115.795 flat angles C4'-P-C4' energy: -151.110 flat angles P-C4'-P energy: -83.737 tors. eta vs tors. theta energy: -227.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2330.471376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.471376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.471376 (E_RNA) where: Base-Base interactions energy: -1647.048 where: short stacking energy: -656.088 Base-Backbone interact. energy: 0.580 local terms energy: -684.003628 where: bonds (distance) C4'-P energy: -123.594 bonds (distance) P-C4' energy: -128.323 flat angles C4'-P-C4' energy: -136.326 flat angles P-C4'-P energy: -94.339 tors. eta vs tors. theta energy: -201.422 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: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1943.857372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.857372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.857372 (E_RNA) where: Base-Base interactions energy: -1345.894 where: short stacking energy: -585.946 Base-Backbone interact. energy: -3.700 local terms energy: -594.263215 where: bonds (distance) C4'-P energy: -102.770 bonds (distance) P-C4' energy: -111.227 flat angles C4'-P-C4' energy: -140.335 flat angles P-C4'-P energy: -86.816 tors. eta vs tors. theta energy: -153.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1718.016898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.016898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.016898 (E_RNA) where: Base-Base interactions energy: -1195.795 where: short stacking energy: -478.954 Base-Backbone interact. energy: 1.118 local terms energy: -523.340249 where: bonds (distance) C4'-P energy: -99.492 bonds (distance) P-C4' energy: -126.954 flat angles C4'-P-C4' energy: -116.706 flat angles P-C4'-P energy: -72.068 tors. eta vs tors. theta energy: -108.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1361.456920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.456920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.456920 (E_RNA) where: Base-Base interactions energy: -896.292 where: short stacking energy: -374.129 Base-Backbone interact. energy: -0.971 local terms energy: -464.193256 where: bonds (distance) C4'-P energy: -103.343 bonds (distance) P-C4' energy: -97.157 flat angles C4'-P-C4' energy: -110.996 flat angles P-C4'-P energy: -73.325 tors. eta vs tors. theta energy: -79.372 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: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -998.484080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.484080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.484080 (E_RNA) where: Base-Base interactions energy: -615.134 where: short stacking energy: -277.258 Base-Backbone interact. energy: -0.553 local terms energy: -382.796772 where: bonds (distance) C4'-P energy: -104.107 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -87.767 flat angles P-C4'-P energy: -48.879 tors. eta vs tors. theta energy: -23.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2695.149636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.149636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.149636 (E_RNA) where: Base-Base interactions energy: -1909.438 where: short stacking energy: -773.012 Base-Backbone interact. energy: 0.040 local terms energy: -785.750939 where: bonds (distance) C4'-P energy: -140.127 bonds (distance) P-C4' energy: -140.695 flat angles C4'-P-C4' energy: -164.526 flat angles P-C4'-P energy: -104.393 tors. eta vs tors. theta energy: -236.009 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: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2565.632191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.632191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.632191 (E_RNA) where: Base-Base interactions energy: -1808.937 where: short stacking energy: -774.446 Base-Backbone interact. energy: -0.630 local terms energy: -756.065258 where: bonds (distance) C4'-P energy: -132.266 bonds (distance) P-C4' energy: -129.879 flat angles C4'-P-C4' energy: -150.118 flat angles P-C4'-P energy: -116.002 tors. eta vs tors. theta energy: -227.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2524.852066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.852066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.852066 (E_RNA) where: Base-Base interactions energy: -1803.245 where: short stacking energy: -746.085 Base-Backbone interact. energy: -0.958 local terms energy: -720.649444 where: bonds (distance) C4'-P energy: -122.341 bonds (distance) P-C4' energy: -116.038 flat angles C4'-P-C4' energy: -151.600 flat angles P-C4'-P energy: -96.713 tors. eta vs tors. theta energy: -233.956 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: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2471.166102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.166102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.166102 (E_RNA) where: Base-Base interactions energy: -1747.955 where: short stacking energy: -735.379 Base-Backbone interact. energy: 1.100 local terms energy: -724.311161 where: bonds (distance) C4'-P energy: -122.672 bonds (distance) P-C4' energy: -123.952 flat angles C4'-P-C4' energy: -147.493 flat angles P-C4'-P energy: -103.473 tors. eta vs tors. theta energy: -226.721 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: 272 Temperature: 1.100000 Total energy: -2388.101518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.101518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.101518 (E_RNA) where: Base-Base interactions energy: -1700.796 where: short stacking energy: -664.301 Base-Backbone interact. energy: -0.348 local terms energy: -686.957903 where: bonds (distance) C4'-P energy: -122.752 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -152.856 flat angles P-C4'-P energy: -92.618 tors. eta vs tors. theta energy: -199.201 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: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2325.841281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.841281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.841281 (E_RNA) where: Base-Base interactions energy: -1654.909 where: short stacking energy: -671.479 Base-Backbone interact. energy: -0.205 local terms energy: -670.727689 where: bonds (distance) C4'-P energy: -119.833 bonds (distance) P-C4' energy: -94.402 flat angles C4'-P-C4' energy: -144.096 flat angles P-C4'-P energy: -95.316 tors. eta vs tors. theta energy: -217.081 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: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1883.587533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.587533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.587533 (E_RNA) where: Base-Base interactions energy: -1298.234 where: short stacking energy: -568.263 Base-Backbone interact. energy: 6.473 local terms energy: -591.826516 where: bonds (distance) C4'-P energy: -118.233 bonds (distance) P-C4' energy: -107.962 flat angles C4'-P-C4' energy: -125.528 flat angles P-C4'-P energy: -78.978 tors. eta vs tors. theta energy: -161.125 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: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1671.884113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.884113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.884113 (E_RNA) where: Base-Base interactions energy: -1134.183 where: short stacking energy: -483.736 Base-Backbone interact. energy: -4.433 local terms energy: -533.268824 where: bonds (distance) C4'-P energy: -112.935 bonds (distance) P-C4' energy: -112.732 flat angles C4'-P-C4' energy: -124.310 flat angles P-C4'-P energy: -72.077 tors. eta vs tors. theta energy: -111.216 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: 272 Temperature: 1.300000 Total energy: -1407.505948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.505948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.505948 (E_RNA) where: Base-Base interactions energy: -940.772 where: short stacking energy: -393.518 Base-Backbone interact. energy: -2.755 local terms energy: -463.978449 where: bonds (distance) C4'-P energy: -115.059 bonds (distance) P-C4' energy: -88.304 flat angles C4'-P-C4' energy: -120.374 flat angles P-C4'-P energy: -61.014 tors. eta vs tors. theta energy: -79.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1019.528681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.528681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.528681 (E_RNA) where: Base-Base interactions energy: -622.180 where: short stacking energy: -304.938 Base-Backbone interact. energy: 1.714 local terms energy: -399.062980 where: bonds (distance) C4'-P energy: -105.506 bonds (distance) P-C4' energy: -108.564 flat angles C4'-P-C4' energy: -83.711 flat angles P-C4'-P energy: -58.614 tors. eta vs tors. theta energy: -42.667 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: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2688.465752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.465752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.465752 (E_RNA) where: Base-Base interactions energy: -1924.455 where: short stacking energy: -771.098 Base-Backbone interact. energy: -1.080 local terms energy: -762.930432 where: bonds (distance) C4'-P energy: -129.424 bonds (distance) P-C4' energy: -136.658 flat angles C4'-P-C4' energy: -160.005 flat angles P-C4'-P energy: -101.860 tors. eta vs tors. theta energy: -234.983 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: 273 Temperature: 0.950000 Total energy: -2581.992650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.992650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.992650 (E_RNA) where: Base-Base interactions energy: -1837.788 where: short stacking energy: -737.005 Base-Backbone interact. energy: 1.028 local terms energy: -745.232196 where: bonds (distance) C4'-P energy: -120.010 bonds (distance) P-C4' energy: -122.960 flat angles C4'-P-C4' energy: -155.102 flat angles P-C4'-P energy: -120.307 tors. eta vs tors. theta energy: -226.853 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: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2525.364780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.364780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.364780 (E_RNA) where: Base-Base interactions energy: -1801.557 where: short stacking energy: -759.455 Base-Backbone interact. energy: -1.895 local terms energy: -721.913442 where: bonds (distance) C4'-P energy: -113.974 bonds (distance) P-C4' energy: -125.530 flat angles C4'-P-C4' energy: -153.982 flat angles P-C4'-P energy: -94.799 tors. eta vs tors. theta energy: -233.629 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: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2472.200203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.200203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.200203 (E_RNA) where: Base-Base interactions energy: -1738.328 where: short stacking energy: -740.263 Base-Backbone interact. energy: -1.789 local terms energy: -732.082548 where: bonds (distance) C4'-P energy: -124.026 bonds (distance) P-C4' energy: -124.552 flat angles C4'-P-C4' energy: -158.879 flat angles P-C4'-P energy: -102.474 tors. eta vs tors. theta energy: -222.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2409.524694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.524694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.524694 (E_RNA) where: Base-Base interactions energy: -1734.295 where: short stacking energy: -708.240 Base-Backbone interact. energy: -0.107 local terms energy: -675.122638 where: bonds (distance) C4'-P energy: -106.690 bonds (distance) P-C4' energy: -119.726 flat angles C4'-P-C4' energy: -143.785 flat angles P-C4'-P energy: -95.187 tors. eta vs tors. theta energy: -209.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2313.207213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.207213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.207213 (E_RNA) where: Base-Base interactions energy: -1644.013 where: short stacking energy: -680.131 Base-Backbone interact. energy: -0.303 local terms energy: -668.890732 where: bonds (distance) C4'-P energy: -117.570 bonds (distance) P-C4' energy: -124.547 flat angles C4'-P-C4' energy: -127.867 flat angles P-C4'-P energy: -100.900 tors. eta vs tors. theta energy: -198.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1862.965380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.965380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.965380 (E_RNA) where: Base-Base interactions energy: -1273.066 where: short stacking energy: -549.246 Base-Backbone interact. energy: 1.031 local terms energy: -590.930073 where: bonds (distance) C4'-P energy: -120.663 bonds (distance) P-C4' energy: -120.731 flat angles C4'-P-C4' energy: -128.976 flat angles P-C4'-P energy: -75.239 tors. eta vs tors. theta energy: -145.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1641.771227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.771227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.771227 (E_RNA) where: Base-Base interactions energy: -1100.493 where: short stacking energy: -487.732 Base-Backbone interact. energy: -1.725 local terms energy: -539.553564 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -103.670 flat angles C4'-P-C4' energy: -138.174 flat angles P-C4'-P energy: -77.583 tors. eta vs tors. theta energy: -121.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1493.968326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.968326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.968326 (E_RNA) where: Base-Base interactions energy: -1004.746 where: short stacking energy: -437.871 Base-Backbone interact. energy: 2.852 local terms energy: -492.073937 where: bonds (distance) C4'-P energy: -98.772 bonds (distance) P-C4' energy: -110.573 flat angles C4'-P-C4' energy: -112.954 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: -98.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1055.141576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.141576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.141576 (E_RNA) where: Base-Base interactions energy: -628.737 where: short stacking energy: -284.165 Base-Backbone interact. energy: 4.423 local terms energy: -430.827658 where: bonds (distance) C4'-P energy: -107.781 bonds (distance) P-C4' energy: -116.578 flat angles C4'-P-C4' energy: -90.943 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -62.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2698.595711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.595711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.595711 (E_RNA) where: Base-Base interactions energy: -1930.340 where: short stacking energy: -779.099 Base-Backbone interact. energy: -0.338 local terms energy: -767.916939 where: bonds (distance) C4'-P energy: -132.426 bonds (distance) P-C4' energy: -132.678 flat angles C4'-P-C4' energy: -153.582 flat angles P-C4'-P energy: -116.414 tors. eta vs tors. theta energy: -232.818 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: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2595.184605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.184605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.184605 (E_RNA) where: Base-Base interactions energy: -1828.414 where: short stacking energy: -771.495 Base-Backbone interact. energy: -1.433 local terms energy: -765.337417 where: bonds (distance) C4'-P energy: -121.540 bonds (distance) P-C4' energy: -142.014 flat angles C4'-P-C4' energy: -158.410 flat angles P-C4'-P energy: -107.260 tors. eta vs tors. theta energy: -236.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2534.589383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.589383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.589383 (E_RNA) where: Base-Base interactions energy: -1786.340 where: short stacking energy: -741.424 Base-Backbone interact. energy: 0.332 local terms energy: -748.580981 where: bonds (distance) C4'-P energy: -119.033 bonds (distance) P-C4' energy: -141.059 flat angles C4'-P-C4' energy: -146.597 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -239.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2438.033650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.033650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.033650 (E_RNA) where: Base-Base interactions energy: -1737.407 where: short stacking energy: -712.248 Base-Backbone interact. energy: -1.495 local terms energy: -699.132374 where: bonds (distance) C4'-P energy: -122.589 bonds (distance) P-C4' energy: -131.168 flat angles C4'-P-C4' energy: -142.219 flat angles P-C4'-P energy: -95.994 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: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2373.490178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.490178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.490178 (E_RNA) where: Base-Base interactions energy: -1700.555 where: short stacking energy: -667.921 Base-Backbone interact. energy: -0.960 local terms energy: -671.975426 where: bonds (distance) C4'-P energy: -129.417 bonds (distance) P-C4' energy: -110.467 flat angles C4'-P-C4' energy: -145.207 flat angles P-C4'-P energy: -87.314 tors. eta vs tors. theta energy: -199.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2342.768207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.768207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.768207 (E_RNA) where: Base-Base interactions energy: -1648.748 where: short stacking energy: -681.584 Base-Backbone interact. energy: -0.114 local terms energy: -693.905619 where: bonds (distance) C4'-P energy: -119.077 bonds (distance) P-C4' energy: -129.784 flat angles C4'-P-C4' energy: -149.614 flat angles P-C4'-P energy: -79.599 tors. eta vs tors. theta energy: -215.832 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: 274 Temperature: 1.200000 Total energy: -1851.248417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.248417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.248417 (E_RNA) where: Base-Base interactions energy: -1257.560 where: short stacking energy: -583.267 Base-Backbone interact. energy: -1.508 local terms energy: -592.180377 where: bonds (distance) C4'-P energy: -107.089 bonds (distance) P-C4' energy: -90.506 flat angles C4'-P-C4' energy: -139.962 flat angles P-C4'-P energy: -86.090 tors. eta vs tors. theta energy: -168.533 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: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1627.789713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.789713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.789713 (E_RNA) where: Base-Base interactions energy: -1098.908 where: short stacking energy: -468.261 Base-Backbone interact. energy: 0.776 local terms energy: -529.657606 where: bonds (distance) C4'-P energy: -102.006 bonds (distance) P-C4' energy: -106.920 flat angles C4'-P-C4' energy: -125.827 flat angles P-C4'-P energy: -82.134 tors. eta vs tors. theta energy: -112.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1456.533387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.533387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.533387 (E_RNA) where: Base-Base interactions energy: -961.394 where: short stacking energy: -448.783 Base-Backbone interact. energy: 1.430 local terms energy: -496.569008 where: bonds (distance) C4'-P energy: -98.965 bonds (distance) P-C4' energy: -108.519 flat angles C4'-P-C4' energy: -117.582 flat angles P-C4'-P energy: -69.720 tors. eta vs tors. theta energy: -101.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1089.159153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.159153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.159153 (E_RNA) where: Base-Base interactions energy: -669.386 where: short stacking energy: -309.505 Base-Backbone interact. energy: 0.019 local terms energy: -419.792151 where: bonds (distance) C4'-P energy: -101.593 bonds (distance) P-C4' energy: -123.822 flat angles C4'-P-C4' energy: -91.958 flat angles P-C4'-P energy: -45.409 tors. eta vs tors. theta energy: -57.011 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: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2683.649201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.649201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.649201 (E_RNA) where: Base-Base interactions energy: -1950.369 where: short stacking energy: -806.822 Base-Backbone interact. energy: -0.775 local terms energy: -732.505407 where: bonds (distance) C4'-P energy: -113.905 bonds (distance) P-C4' energy: -139.340 flat angles C4'-P-C4' energy: -145.074 flat angles P-C4'-P energy: -97.836 tors. eta vs tors. theta energy: -236.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2569.516523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.516523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.516523 (E_RNA) where: Base-Base interactions energy: -1833.184 where: short stacking energy: -765.270 Base-Backbone interact. energy: -2.914 local terms energy: -733.418893 where: bonds (distance) C4'-P energy: -119.555 bonds (distance) P-C4' energy: -109.464 flat angles C4'-P-C4' energy: -160.581 flat angles P-C4'-P energy: -107.333 tors. eta vs tors. theta energy: -236.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2538.685782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.685782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.685782 (E_RNA) where: Base-Base interactions energy: -1815.677 where: short stacking energy: -749.567 Base-Backbone interact. energy: 0.887 local terms energy: -723.895726 where: bonds (distance) C4'-P energy: -114.545 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -150.898 flat angles P-C4'-P energy: -101.594 tors. eta vs tors. theta energy: -232.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2447.245397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.245397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.245397 (E_RNA) where: Base-Base interactions energy: -1726.662 where: short stacking energy: -706.699 Base-Backbone interact. energy: 0.324 local terms energy: -720.907991 where: bonds (distance) C4'-P energy: -117.257 bonds (distance) P-C4' energy: -127.279 flat angles C4'-P-C4' energy: -152.935 flat angles P-C4'-P energy: -105.702 tors. eta vs tors. theta energy: -217.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2388.283690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.283690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.283690 (E_RNA) where: Base-Base interactions energy: -1696.208 where: short stacking energy: -667.656 Base-Backbone interact. energy: -2.370 local terms energy: -689.706434 where: bonds (distance) C4'-P energy: -125.908 bonds (distance) P-C4' energy: -118.530 flat angles C4'-P-C4' energy: -152.242 flat angles P-C4'-P energy: -96.820 tors. eta vs tors. theta energy: -196.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2343.140813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.140813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.140813 (E_RNA) where: Base-Base interactions energy: -1654.935 where: short stacking energy: -699.786 Base-Backbone interact. energy: -1.146 local terms energy: -687.059059 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -129.965 flat angles C4'-P-C4' energy: -140.078 flat angles P-C4'-P energy: -88.509 tors. eta vs tors. theta energy: -217.854 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: 275 Temperature: 1.200000 Total energy: -1841.040874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.040874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.040874 (E_RNA) where: Base-Base interactions energy: -1245.505 where: short stacking energy: -530.048 Base-Backbone interact. energy: 0.485 local terms energy: -596.020662 where: bonds (distance) C4'-P energy: -96.665 bonds (distance) P-C4' energy: -130.883 flat angles C4'-P-C4' energy: -138.155 flat angles P-C4'-P energy: -82.829 tors. eta vs tors. theta energy: -147.488 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: 275 Temperature: 1.250000 Total energy: -1605.431315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.431315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.431315 (E_RNA) where: Base-Base interactions energy: -1058.747 where: short stacking energy: -461.924 Base-Backbone interact. energy: 0.163 local terms energy: -546.847328 where: bonds (distance) C4'-P energy: -105.979 bonds (distance) P-C4' energy: -118.648 flat angles C4'-P-C4' energy: -126.521 flat angles P-C4'-P energy: -79.659 tors. eta vs tors. theta energy: -116.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1495.464169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.464169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.464169 (E_RNA) where: Base-Base interactions energy: -1009.882 where: short stacking energy: -428.327 Base-Backbone interact. energy: 2.900 local terms energy: -488.481603 where: bonds (distance) C4'-P energy: -112.486 bonds (distance) P-C4' energy: -96.070 flat angles C4'-P-C4' energy: -118.348 flat angles P-C4'-P energy: -74.469 tors. eta vs tors. theta energy: -87.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1154.289826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.289826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.289826 (E_RNA) where: Base-Base interactions energy: -725.937 where: short stacking energy: -328.017 Base-Backbone interact. energy: 0.991 local terms energy: -429.343445 where: bonds (distance) C4'-P energy: -105.761 bonds (distance) P-C4' energy: -110.284 flat angles C4'-P-C4' energy: -102.010 flat angles P-C4'-P energy: -53.326 tors. eta vs tors. theta energy: -57.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2697.628631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.628631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.628631 (E_RNA) where: Base-Base interactions energy: -1898.073 where: short stacking energy: -772.172 Base-Backbone interact. energy: -2.760 local terms energy: -796.796022 where: bonds (distance) C4'-P energy: -134.409 bonds (distance) P-C4' energy: -149.853 flat angles C4'-P-C4' energy: -157.233 flat angles P-C4'-P energy: -114.090 tors. eta vs tors. theta energy: -241.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2601.210985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.210985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.210985 (E_RNA) where: Base-Base interactions energy: -1837.147 where: short stacking energy: -774.449 Base-Backbone interact. energy: 1.274 local terms energy: -765.338021 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -129.216 flat angles C4'-P-C4' energy: -159.745 flat angles P-C4'-P energy: -100.990 tors. eta vs tors. theta energy: -240.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2546.564088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.564088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.564088 (E_RNA) where: Base-Base interactions energy: -1784.118 where: short stacking energy: -748.430 Base-Backbone interact. energy: -1.423 local terms energy: -761.023132 where: bonds (distance) C4'-P energy: -117.551 bonds (distance) P-C4' energy: -125.892 flat angles C4'-P-C4' energy: -165.028 flat angles P-C4'-P energy: -118.184 tors. eta vs tors. theta energy: -234.368 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: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2436.919834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.919834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.919834 (E_RNA) where: Base-Base interactions energy: -1721.905 where: short stacking energy: -702.086 Base-Backbone interact. energy: -4.173 local terms energy: -710.841247 where: bonds (distance) C4'-P energy: -120.107 bonds (distance) P-C4' energy: -114.709 flat angles C4'-P-C4' energy: -152.388 flat angles P-C4'-P energy: -103.184 tors. eta vs tors. theta energy: -220.453 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: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2366.387568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.387568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.387568 (E_RNA) where: Base-Base interactions energy: -1695.121 where: short stacking energy: -670.144 Base-Backbone interact. energy: -0.769 local terms energy: -670.498170 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -124.539 flat angles C4'-P-C4' energy: -140.371 flat angles P-C4'-P energy: -76.588 tors. eta vs tors. theta energy: -211.457 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: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2344.705213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.705213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.705213 (E_RNA) where: Base-Base interactions energy: -1666.526 where: short stacking energy: -653.340 Base-Backbone interact. energy: -3.034 local terms energy: -675.145605 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -117.974 flat angles C4'-P-C4' energy: -148.535 flat angles P-C4'-P energy: -95.614 tors. eta vs tors. theta energy: -185.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1798.691550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.691550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.691550 (E_RNA) where: Base-Base interactions energy: -1221.791 where: short stacking energy: -520.864 Base-Backbone interact. energy: -0.455 local terms energy: -576.445228 where: bonds (distance) C4'-P energy: -103.075 bonds (distance) P-C4' energy: -122.116 flat angles C4'-P-C4' energy: -131.239 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -135.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1570.045186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.045186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.045186 (E_RNA) where: Base-Base interactions energy: -1044.779 where: short stacking energy: -463.795 Base-Backbone interact. energy: 0.577 local terms energy: -525.842912 where: bonds (distance) C4'-P energy: -106.499 bonds (distance) P-C4' energy: -113.800 flat angles C4'-P-C4' energy: -108.241 flat angles P-C4'-P energy: -75.769 tors. eta vs tors. theta energy: -121.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1450.494940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.494940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.494940 (E_RNA) where: Base-Base interactions energy: -942.376 where: short stacking energy: -417.752 Base-Backbone interact. energy: 3.178 local terms energy: -511.297024 where: bonds (distance) C4'-P energy: -98.521 bonds (distance) P-C4' energy: -105.581 flat angles C4'-P-C4' energy: -121.645 flat angles P-C4'-P energy: -82.136 tors. eta vs tors. theta energy: -103.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1094.439991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.439991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.439991 (E_RNA) where: Base-Base interactions energy: -644.080 where: short stacking energy: -314.691 Base-Backbone interact. energy: 0.277 local terms energy: -450.637591 where: bonds (distance) C4'-P energy: -110.402 bonds (distance) P-C4' energy: -102.864 flat angles C4'-P-C4' energy: -115.534 flat angles P-C4'-P energy: -75.771 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: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2685.982725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.982725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.982725 (E_RNA) where: Base-Base interactions energy: -1915.190 where: short stacking energy: -794.419 Base-Backbone interact. energy: -2.016 local terms energy: -768.776746 where: bonds (distance) C4'-P energy: -123.715 bonds (distance) P-C4' energy: -127.618 flat angles C4'-P-C4' energy: -158.024 flat angles P-C4'-P energy: -116.337 tors. eta vs tors. theta energy: -243.081 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: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2594.753354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.753354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.753354 (E_RNA) where: Base-Base interactions energy: -1815.345 where: short stacking energy: -764.052 Base-Backbone interact. energy: -2.563 local terms energy: -776.845382 where: bonds (distance) C4'-P energy: -138.816 bonds (distance) P-C4' energy: -130.176 flat angles C4'-P-C4' energy: -162.106 flat angles P-C4'-P energy: -103.475 tors. eta vs tors. theta energy: -242.273 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: 277 Temperature: 1.000000 Total energy: -2550.299790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.299790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.299790 (E_RNA) where: Base-Base interactions energy: -1798.445 where: short stacking energy: -752.614 Base-Backbone interact. energy: 0.485 local terms energy: -752.340345 where: bonds (distance) C4'-P energy: -117.667 bonds (distance) P-C4' energy: -130.655 flat angles C4'-P-C4' energy: -149.100 flat angles P-C4'-P energy: -118.485 tors. eta vs tors. theta energy: -236.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2458.263265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.263265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.263265 (E_RNA) where: Base-Base interactions energy: -1736.595 where: short stacking energy: -722.015 Base-Backbone interact. energy: -2.400 local terms energy: -719.268886 where: bonds (distance) C4'-P energy: -118.825 bonds (distance) P-C4' energy: -124.245 flat angles C4'-P-C4' energy: -156.183 flat angles P-C4'-P energy: -92.848 tors. eta vs tors. theta energy: -227.167 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: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2351.774022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.774022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.774022 (E_RNA) where: Base-Base interactions energy: -1669.517 where: short stacking energy: -697.932 Base-Backbone interact. energy: -0.269 local terms energy: -681.988132 where: bonds (distance) C4'-P energy: -119.431 bonds (distance) P-C4' energy: -114.827 flat angles C4'-P-C4' energy: -138.759 flat angles P-C4'-P energy: -87.030 tors. eta vs tors. theta energy: -221.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2285.565956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.565956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.565956 (E_RNA) where: Base-Base interactions energy: -1629.922 where: short stacking energy: -630.553 Base-Backbone interact. energy: 0.310 local terms energy: -655.953949 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -141.338 flat angles P-C4'-P energy: -84.082 tors. eta vs tors. theta energy: -190.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1829.748540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.748540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.748540 (E_RNA) where: Base-Base interactions energy: -1248.940 where: short stacking energy: -557.294 Base-Backbone interact. energy: 1.404 local terms energy: -582.212904 where: bonds (distance) C4'-P energy: -113.871 bonds (distance) P-C4' energy: -102.820 flat angles C4'-P-C4' energy: -137.011 flat angles P-C4'-P energy: -75.980 tors. eta vs tors. theta energy: -152.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1605.806238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.806238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.806238 (E_RNA) where: Base-Base interactions energy: -1060.831 where: short stacking energy: -434.667 Base-Backbone interact. energy: -1.755 local terms energy: -543.220419 where: bonds (distance) C4'-P energy: -130.672 bonds (distance) P-C4' energy: -119.238 flat angles C4'-P-C4' energy: -120.736 flat angles P-C4'-P energy: -78.202 tors. eta vs tors. theta energy: -94.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1406.931836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.931836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.931836 (E_RNA) where: Base-Base interactions energy: -942.827 where: short stacking energy: -407.715 Base-Backbone interact. energy: 0.812 local terms energy: -464.916626 where: bonds (distance) C4'-P energy: -105.142 bonds (distance) P-C4' energy: -112.499 flat angles C4'-P-C4' energy: -107.735 flat angles P-C4'-P energy: -66.567 tors. eta vs tors. theta energy: -72.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1077.087250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.087250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.087250 (E_RNA) where: Base-Base interactions energy: -663.468 where: short stacking energy: -312.806 Base-Backbone interact. energy: 2.807 local terms energy: -416.426180 where: bonds (distance) C4'-P energy: -112.866 bonds (distance) P-C4' energy: -100.740 flat angles C4'-P-C4' energy: -99.950 flat angles P-C4'-P energy: -63.616 tors. eta vs tors. theta energy: -39.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2678.696859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.696859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.696859 (E_RNA) where: Base-Base interactions energy: -1902.091 where: short stacking energy: -794.576 Base-Backbone interact. energy: 0.491 local terms energy: -777.096101 where: bonds (distance) C4'-P energy: -132.426 bonds (distance) P-C4' energy: -135.162 flat angles C4'-P-C4' energy: -152.864 flat angles P-C4'-P energy: -100.891 tors. eta vs tors. theta energy: -255.753 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: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2590.647850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.647850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.647850 (E_RNA) where: Base-Base interactions energy: -1828.398 where: short stacking energy: -773.892 Base-Backbone interact. energy: -1.646 local terms energy: -760.603260 where: bonds (distance) C4'-P energy: -135.058 bonds (distance) P-C4' energy: -121.984 flat angles C4'-P-C4' energy: -166.326 flat angles P-C4'-P energy: -95.002 tors. eta vs tors. theta energy: -242.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2565.319986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.319986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.319986 (E_RNA) where: Base-Base interactions energy: -1816.635 where: short stacking energy: -761.003 Base-Backbone interact. energy: -1.536 local terms energy: -747.149131 where: bonds (distance) C4'-P energy: -125.139 bonds (distance) P-C4' energy: -128.681 flat angles C4'-P-C4' energy: -158.024 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -232.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2470.054785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.054785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.054785 (E_RNA) where: Base-Base interactions energy: -1750.016 where: short stacking energy: -713.050 Base-Backbone interact. energy: 2.769 local terms energy: -722.807795 where: bonds (distance) C4'-P energy: -115.562 bonds (distance) P-C4' energy: -130.295 flat angles C4'-P-C4' energy: -148.874 flat angles P-C4'-P energy: -103.286 tors. eta vs tors. theta energy: -224.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2396.659214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.659214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.659214 (E_RNA) where: Base-Base interactions energy: -1700.374 where: short stacking energy: -713.074 Base-Backbone interact. energy: -1.350 local terms energy: -694.935404 where: bonds (distance) C4'-P energy: -125.705 bonds (distance) P-C4' energy: -101.169 flat angles C4'-P-C4' energy: -150.149 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -225.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2318.020271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.020271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.020271 (E_RNA) where: Base-Base interactions energy: -1681.602 where: short stacking energy: -640.970 Base-Backbone interact. energy: 4.623 local terms energy: -641.041264 where: bonds (distance) C4'-P energy: -97.089 bonds (distance) P-C4' energy: -113.583 flat angles C4'-P-C4' energy: -144.374 flat angles P-C4'-P energy: -93.925 tors. eta vs tors. theta energy: -192.070 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: 278 Temperature: 1.200000 Total energy: -1885.570200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.570200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.570200 (E_RNA) where: Base-Base interactions energy: -1298.880 where: short stacking energy: -545.679 Base-Backbone interact. energy: -2.329 local terms energy: -584.360449 where: bonds (distance) C4'-P energy: -116.801 bonds (distance) P-C4' energy: -93.546 flat angles C4'-P-C4' energy: -118.218 flat angles P-C4'-P energy: -97.441 tors. eta vs tors. theta energy: -158.354 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: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1629.995777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.995777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.995777 (E_RNA) where: Base-Base interactions energy: -1104.959 where: short stacking energy: -466.577 Base-Backbone interact. energy: 0.292 local terms energy: -525.329283 where: bonds (distance) C4'-P energy: -95.273 bonds (distance) P-C4' energy: -93.780 flat angles C4'-P-C4' energy: -134.729 flat angles P-C4'-P energy: -84.365 tors. eta vs tors. theta energy: -117.182 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: 278 Temperature: 1.300000 Total energy: -1465.175807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.175807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.175807 (E_RNA) where: Base-Base interactions energy: -974.188 where: short stacking energy: -456.835 Base-Backbone interact. energy: -1.597 local terms energy: -489.390701 where: bonds (distance) C4'-P energy: -105.217 bonds (distance) P-C4' energy: -101.473 flat angles C4'-P-C4' energy: -121.731 flat angles P-C4'-P energy: -70.988 tors. eta vs tors. theta energy: -89.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1133.409768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.409768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.409768 (E_RNA) where: Base-Base interactions energy: -719.170 where: short stacking energy: -334.491 Base-Backbone interact. energy: -2.773 local terms energy: -411.466677 where: bonds (distance) C4'-P energy: -103.010 bonds (distance) P-C4' energy: -108.520 flat angles C4'-P-C4' energy: -84.083 flat angles P-C4'-P energy: -57.989 tors. eta vs tors. theta energy: -57.864 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: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2694.042097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.042097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.042097 (E_RNA) where: Base-Base interactions energy: -1900.660 where: short stacking energy: -794.768 Base-Backbone interact. energy: -1.742 local terms energy: -791.640072 where: bonds (distance) C4'-P energy: -140.401 bonds (distance) P-C4' energy: -131.900 flat angles C4'-P-C4' energy: -157.443 flat angles P-C4'-P energy: -112.738 tors. eta vs tors. theta energy: -249.157 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: 279 Temperature: 0.950000 Total energy: -2595.739747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.739747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.739747 (E_RNA) where: Base-Base interactions energy: -1819.951 where: short stacking energy: -760.373 Base-Backbone interact. energy: -0.841 local terms energy: -774.947527 where: bonds (distance) C4'-P energy: -123.500 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -153.747 flat angles P-C4'-P energy: -121.121 tors. eta vs tors. theta energy: -232.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2564.389249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.389249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.389249 (E_RNA) where: Base-Base interactions energy: -1810.639 where: short stacking energy: -744.937 Base-Backbone interact. energy: 0.613 local terms energy: -754.363306 where: bonds (distance) C4'-P energy: -125.102 bonds (distance) P-C4' energy: -128.468 flat angles C4'-P-C4' energy: -155.408 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -237.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2466.585915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.585915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.585915 (E_RNA) where: Base-Base interactions energy: -1747.652 where: short stacking energy: -733.943 Base-Backbone interact. energy: 1.290 local terms energy: -720.223515 where: bonds (distance) C4'-P energy: -125.274 bonds (distance) P-C4' energy: -122.516 flat angles C4'-P-C4' energy: -147.502 flat angles P-C4'-P energy: -98.218 tors. eta vs tors. theta energy: -226.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2377.651160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.651160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.651160 (E_RNA) where: Base-Base interactions energy: -1674.340 where: short stacking energy: -689.151 Base-Backbone interact. energy: -3.248 local terms energy: -700.063669 where: bonds (distance) C4'-P energy: -124.982 bonds (distance) P-C4' energy: -117.518 flat angles C4'-P-C4' energy: -148.017 flat angles P-C4'-P energy: -91.836 tors. eta vs tors. theta energy: -217.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2361.673028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.673028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.673028 (E_RNA) where: Base-Base interactions energy: -1688.608 where: short stacking energy: -645.690 Base-Backbone interact. energy: -1.808 local terms energy: -671.257242 where: bonds (distance) C4'-P energy: -129.107 bonds (distance) P-C4' energy: -114.044 flat angles C4'-P-C4' energy: -139.266 flat angles P-C4'-P energy: -96.165 tors. eta vs tors. theta energy: -192.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1946.783229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.783229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.783229 (E_RNA) where: Base-Base interactions energy: -1368.715 where: short stacking energy: -556.751 Base-Backbone interact. energy: -1.024 local terms energy: -577.044221 where: bonds (distance) C4'-P energy: -87.002 bonds (distance) P-C4' energy: -110.778 flat angles C4'-P-C4' energy: -125.955 flat angles P-C4'-P energy: -94.591 tors. eta vs tors. theta energy: -158.718 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: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1683.649740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.649740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.649740 (E_RNA) where: Base-Base interactions energy: -1132.103 where: short stacking energy: -489.898 Base-Backbone interact. energy: 1.619 local terms energy: -553.165387 where: bonds (distance) C4'-P energy: -123.456 bonds (distance) P-C4' energy: -110.285 flat angles C4'-P-C4' energy: -130.497 flat angles P-C4'-P energy: -60.655 tors. eta vs tors. theta energy: -128.273 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: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1429.640845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.640845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.640845 (E_RNA) where: Base-Base interactions energy: -951.316 where: short stacking energy: -410.588 Base-Backbone interact. energy: 1.082 local terms energy: -479.407523 where: bonds (distance) C4'-P energy: -107.642 bonds (distance) P-C4' energy: -111.349 flat angles C4'-P-C4' energy: -106.087 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -88.297 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: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1038.683873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.683873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.683873 (E_RNA) where: Base-Base interactions energy: -612.415 where: short stacking energy: -269.915 Base-Backbone interact. energy: 10.813 local terms energy: -437.081403 where: bonds (distance) C4'-P energy: -113.874 bonds (distance) P-C4' energy: -121.174 flat angles C4'-P-C4' energy: -116.082 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: -27.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2689.260757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.260757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.260757 (E_RNA) where: Base-Base interactions energy: -1903.798 where: short stacking energy: -784.932 Base-Backbone interact. energy: -1.747 local terms energy: -783.716315 where: bonds (distance) C4'-P energy: -139.663 bonds (distance) P-C4' energy: -136.275 flat angles C4'-P-C4' energy: -164.072 flat angles P-C4'-P energy: -102.598 tors. eta vs tors. theta energy: -241.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2578.520815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.520815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.520815 (E_RNA) where: Base-Base interactions energy: -1831.874 where: short stacking energy: -749.268 Base-Backbone interact. energy: -2.902 local terms energy: -743.745124 where: bonds (distance) C4'-P energy: -127.154 bonds (distance) P-C4' energy: -135.799 flat angles C4'-P-C4' energy: -154.863 flat angles P-C4'-P energy: -107.768 tors. eta vs tors. theta energy: -218.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2498.271103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.271103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.271103 (E_RNA) where: Base-Base interactions energy: -1767.787 where: short stacking energy: -741.417 Base-Backbone interact. energy: -1.469 local terms energy: -729.015576 where: bonds (distance) C4'-P energy: -120.809 bonds (distance) P-C4' energy: -121.783 flat angles C4'-P-C4' energy: -154.732 flat angles P-C4'-P energy: -106.328 tors. eta vs tors. theta energy: -225.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2497.483365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.483365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.483365 (E_RNA) where: Base-Base interactions energy: -1785.656 where: short stacking energy: -740.899 Base-Backbone interact. energy: -0.747 local terms energy: -711.080662 where: bonds (distance) C4'-P energy: -116.628 bonds (distance) P-C4' energy: -115.179 flat angles C4'-P-C4' energy: -148.317 flat angles P-C4'-P energy: -91.581 tors. eta vs tors. theta energy: -239.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2421.918723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.918723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.918723 (E_RNA) where: Base-Base interactions energy: -1714.774 where: short stacking energy: -672.962 Base-Backbone interact. energy: -1.825 local terms energy: -705.319574 where: bonds (distance) C4'-P energy: -111.801 bonds (distance) P-C4' energy: -129.787 flat angles C4'-P-C4' energy: -152.387 flat angles P-C4'-P energy: -107.232 tors. eta vs tors. theta energy: -204.113 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: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2348.652490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.652490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.652490 (E_RNA) where: Base-Base interactions energy: -1680.807 where: short stacking energy: -688.190 Base-Backbone interact. energy: -0.627 local terms energy: -667.218498 where: bonds (distance) C4'-P energy: -103.734 bonds (distance) P-C4' energy: -106.429 flat angles C4'-P-C4' energy: -144.613 flat angles P-C4'-P energy: -97.730 tors. eta vs tors. theta energy: -214.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1927.635553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.635553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.635553 (E_RNA) where: Base-Base interactions energy: -1326.358 where: short stacking energy: -529.070 Base-Backbone interact. energy: -3.385 local terms energy: -597.892701 where: bonds (distance) C4'-P energy: -107.688 bonds (distance) P-C4' energy: -116.636 flat angles C4'-P-C4' energy: -137.437 flat angles P-C4'-P energy: -81.227 tors. eta vs tors. theta energy: -154.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1657.527252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.527252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.527252 (E_RNA) where: Base-Base interactions energy: -1144.775 where: short stacking energy: -468.932 Base-Backbone interact. energy: -1.178 local terms energy: -511.575022 where: bonds (distance) C4'-P energy: -108.196 bonds (distance) P-C4' energy: -103.174 flat angles C4'-P-C4' energy: -121.560 flat angles P-C4'-P energy: -74.285 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: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1389.466319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.466319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.466319 (E_RNA) where: Base-Base interactions energy: -886.274 where: short stacking energy: -387.622 Base-Backbone interact. energy: 5.127 local terms energy: -508.318712 where: bonds (distance) C4'-P energy: -108.759 bonds (distance) P-C4' energy: -135.333 flat angles C4'-P-C4' energy: -107.139 flat angles P-C4'-P energy: -76.403 tors. eta vs tors. theta energy: -80.685 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: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1041.947680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.947680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.947680 (E_RNA) where: Base-Base interactions energy: -631.416 where: short stacking energy: -299.984 Base-Backbone interact. energy: -1.821 local terms energy: -408.711001 where: bonds (distance) C4'-P energy: -108.538 bonds (distance) P-C4' energy: -124.854 flat angles C4'-P-C4' energy: -85.645 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -40.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2721.454344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.454344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.454344 (E_RNA) where: Base-Base interactions energy: -1944.297 where: short stacking energy: -791.464 Base-Backbone interact. energy: -1.981 local terms energy: -775.176577 where: bonds (distance) C4'-P energy: -130.555 bonds (distance) P-C4' energy: -129.468 flat angles C4'-P-C4' energy: -162.818 flat angles P-C4'-P energy: -108.123 tors. eta vs tors. theta energy: -244.213 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: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2569.070881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.070881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.070881 (E_RNA) where: Base-Base interactions energy: -1838.875 where: short stacking energy: -771.330 Base-Backbone interact. energy: -1.186 local terms energy: -729.009366 where: bonds (distance) C4'-P energy: -120.603 bonds (distance) P-C4' energy: -121.981 flat angles C4'-P-C4' energy: -152.789 flat angles P-C4'-P energy: -110.184 tors. eta vs tors. theta energy: -223.452 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: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2500.811484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.811484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.811484 (E_RNA) where: Base-Base interactions energy: -1776.548 where: short stacking energy: -721.566 Base-Backbone interact. energy: -1.511 local terms energy: -722.752655 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -129.978 flat angles C4'-P-C4' energy: -156.286 flat angles P-C4'-P energy: -94.207 tors. eta vs tors. theta energy: -218.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2490.094476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.094476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.094476 (E_RNA) where: Base-Base interactions energy: -1773.037 where: short stacking energy: -743.583 Base-Backbone interact. energy: -0.910 local terms energy: -716.147452 where: bonds (distance) C4'-P energy: -128.709 bonds (distance) P-C4' energy: -115.791 flat angles C4'-P-C4' energy: -157.304 flat angles P-C4'-P energy: -84.561 tors. eta vs tors. theta energy: -229.782 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: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2439.396824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.396824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.396824 (E_RNA) where: Base-Base interactions energy: -1751.986 where: short stacking energy: -678.544 Base-Backbone interact. energy: 2.544 local terms energy: -689.954300 where: bonds (distance) C4'-P energy: -109.697 bonds (distance) P-C4' energy: -125.383 flat angles C4'-P-C4' energy: -139.440 flat angles P-C4'-P energy: -102.509 tors. eta vs tors. theta energy: -212.925 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: 281 Temperature: 1.150000 Total energy: -2318.883528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.883528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.883528 (E_RNA) where: Base-Base interactions energy: -1619.344 where: short stacking energy: -705.374 Base-Backbone interact. energy: -2.117 local terms energy: -697.422564 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -120.766 flat angles C4'-P-C4' energy: -138.196 flat angles P-C4'-P energy: -95.914 tors. eta vs tors. theta energy: -220.707 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: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1838.999775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.999775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.999775 (E_RNA) where: Base-Base interactions energy: -1240.403 where: short stacking energy: -533.670 Base-Backbone interact. energy: -0.624 local terms energy: -597.973233 where: bonds (distance) C4'-P energy: -133.533 bonds (distance) P-C4' energy: -119.763 flat angles C4'-P-C4' energy: -131.270 flat angles P-C4'-P energy: -66.991 tors. eta vs tors. theta energy: -146.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1623.930517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.930517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.930517 (E_RNA) where: Base-Base interactions energy: -1108.290 where: short stacking energy: -494.080 Base-Backbone interact. energy: 3.082 local terms energy: -518.722581 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -109.076 flat angles C4'-P-C4' energy: -116.812 flat angles P-C4'-P energy: -82.907 tors. eta vs tors. theta energy: -122.996 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: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1362.154306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.154306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.154306 (E_RNA) where: Base-Base interactions energy: -884.581 where: short stacking energy: -361.844 Base-Backbone interact. energy: -0.490 local terms energy: -477.082892 where: bonds (distance) C4'-P energy: -119.059 bonds (distance) P-C4' energy: -109.897 flat angles C4'-P-C4' energy: -117.154 flat angles P-C4'-P energy: -64.027 tors. eta vs tors. theta energy: -66.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1034.254131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.254131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.254131 (E_RNA) where: Base-Base interactions energy: -650.404 where: short stacking energy: -282.396 Base-Backbone interact. energy: -2.757 local terms energy: -381.092537 where: bonds (distance) C4'-P energy: -101.930 bonds (distance) P-C4' energy: -113.399 flat angles C4'-P-C4' energy: -108.202 flat angles P-C4'-P energy: -43.080 tors. eta vs tors. theta energy: -14.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2708.571177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.571177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.571177 (E_RNA) where: Base-Base interactions energy: -1928.135 where: short stacking energy: -783.756 Base-Backbone interact. energy: 2.794 local terms energy: -783.230621 where: bonds (distance) C4'-P energy: -121.252 bonds (distance) P-C4' energy: -136.484 flat angles C4'-P-C4' energy: -163.910 flat angles P-C4'-P energy: -118.874 tors. eta vs tors. theta energy: -242.710 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: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2548.034958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.034958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.034958 (E_RNA) where: Base-Base interactions energy: -1806.562 where: short stacking energy: -764.511 Base-Backbone interact. energy: -1.608 local terms energy: -739.865072 where: bonds (distance) C4'-P energy: -122.521 bonds (distance) P-C4' energy: -113.714 flat angles C4'-P-C4' energy: -169.590 flat angles P-C4'-P energy: -107.058 tors. eta vs tors. theta energy: -226.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2555.561847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.561847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.561847 (E_RNA) where: Base-Base interactions energy: -1788.331 where: short stacking energy: -756.971 Base-Backbone interact. energy: -2.474 local terms energy: -764.757270 where: bonds (distance) C4'-P energy: -128.643 bonds (distance) P-C4' energy: -127.509 flat angles C4'-P-C4' energy: -165.795 flat angles P-C4'-P energy: -105.729 tors. eta vs tors. theta energy: -237.082 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: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2464.951274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.951274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.951274 (E_RNA) where: Base-Base interactions energy: -1767.463 where: short stacking energy: -726.563 Base-Backbone interact. energy: -1.775 local terms energy: -695.713519 where: bonds (distance) C4'-P energy: -110.400 bonds (distance) P-C4' energy: -123.589 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -87.988 tors. eta vs tors. theta energy: -229.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2424.461051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.461051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.461051 (E_RNA) where: Base-Base interactions energy: -1744.701 where: short stacking energy: -679.331 Base-Backbone interact. energy: 0.519 local terms energy: -680.279716 where: bonds (distance) C4'-P energy: -109.669 bonds (distance) P-C4' energy: -120.163 flat angles C4'-P-C4' energy: -150.778 flat angles P-C4'-P energy: -96.637 tors. eta vs tors. theta energy: -203.032 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: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2341.899281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.899281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.899281 (E_RNA) where: Base-Base interactions energy: -1665.593 where: short stacking energy: -701.620 Base-Backbone interact. energy: -1.417 local terms energy: -674.889841 where: bonds (distance) C4'-P energy: -121.031 bonds (distance) P-C4' energy: -109.990 flat angles C4'-P-C4' energy: -132.838 flat angles P-C4'-P energy: -88.930 tors. eta vs tors. theta energy: -222.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1941.595105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.595105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.595105 (E_RNA) where: Base-Base interactions energy: -1339.808 where: short stacking energy: -577.203 Base-Backbone interact. energy: 0.663 local terms energy: -602.450534 where: bonds (distance) C4'-P energy: -114.518 bonds (distance) P-C4' energy: -112.299 flat angles C4'-P-C4' energy: -132.312 flat angles P-C4'-P energy: -76.553 tors. eta vs tors. theta energy: -166.769 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: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1672.506252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.506252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.506252 (E_RNA) where: Base-Base interactions energy: -1143.341 where: short stacking energy: -481.502 Base-Backbone interact. energy: -1.611 local terms energy: -527.554191 where: bonds (distance) C4'-P energy: -119.024 bonds (distance) P-C4' energy: -101.388 flat angles C4'-P-C4' energy: -120.136 flat angles P-C4'-P energy: -56.920 tors. eta vs tors. theta energy: -130.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1345.252984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.252984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.252984 (E_RNA) where: Base-Base interactions energy: -875.256 where: short stacking energy: -396.637 Base-Backbone interact. energy: 1.901 local terms energy: -471.898684 where: bonds (distance) C4'-P energy: -96.147 bonds (distance) P-C4' energy: -116.333 flat angles C4'-P-C4' energy: -113.139 flat angles P-C4'-P energy: -60.121 tors. eta vs tors. theta energy: -86.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1059.242381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.242381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.242381 (E_RNA) where: Base-Base interactions energy: -666.702 where: short stacking energy: -300.651 Base-Backbone interact. energy: 1.250 local terms energy: -393.790098 where: bonds (distance) C4'-P energy: -106.829 bonds (distance) P-C4' energy: -92.965 flat angles C4'-P-C4' energy: -100.559 flat angles P-C4'-P energy: -54.753 tors. eta vs tors. theta energy: -38.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2693.495875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.495875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.495875 (E_RNA) where: Base-Base interactions energy: -1928.042 where: short stacking energy: -777.355 Base-Backbone interact. energy: 0.936 local terms energy: -766.389257 where: bonds (distance) C4'-P energy: -129.949 bonds (distance) P-C4' energy: -132.531 flat angles C4'-P-C4' energy: -160.708 flat angles P-C4'-P energy: -101.937 tors. eta vs tors. theta energy: -241.264 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: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2556.313836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.313836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.313836 (E_RNA) where: Base-Base interactions energy: -1812.434 where: short stacking energy: -745.341 Base-Backbone interact. energy: -1.200 local terms energy: -742.680356 where: bonds (distance) C4'-P energy: -128.090 bonds (distance) P-C4' energy: -140.811 flat angles C4'-P-C4' energy: -157.922 flat angles P-C4'-P energy: -86.312 tors. eta vs tors. theta energy: -229.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2532.563071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.563071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.563071 (E_RNA) where: Base-Base interactions energy: -1827.725 where: short stacking energy: -752.134 Base-Backbone interact. energy: -4.158 local terms energy: -700.680547 where: bonds (distance) C4'-P energy: -119.234 bonds (distance) P-C4' energy: -116.119 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -97.915 tors. eta vs tors. theta energy: -231.192 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: 283 Temperature: 1.050000 Total energy: -2482.367646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.367646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.367646 (E_RNA) where: Base-Base interactions energy: -1741.641 where: short stacking energy: -717.167 Base-Backbone interact. energy: -1.576 local terms energy: -739.150963 where: bonds (distance) C4'-P energy: -136.167 bonds (distance) P-C4' energy: -131.126 flat angles C4'-P-C4' energy: -151.031 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -228.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2399.035474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.035474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.035474 (E_RNA) where: Base-Base interactions energy: -1710.998 where: short stacking energy: -684.855 Base-Backbone interact. energy: -3.142 local terms energy: -684.895567 where: bonds (distance) C4'-P energy: -118.720 bonds (distance) P-C4' energy: -128.704 flat angles C4'-P-C4' energy: -141.105 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -202.550 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: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2277.141149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.141149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.141149 (E_RNA) where: Base-Base interactions energy: -1609.718 where: short stacking energy: -658.090 Base-Backbone interact. energy: -0.744 local terms energy: -666.678886 where: bonds (distance) C4'-P energy: -115.724 bonds (distance) P-C4' energy: -130.592 flat angles C4'-P-C4' energy: -136.593 flat angles P-C4'-P energy: -83.576 tors. eta vs tors. theta energy: -200.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1927.377832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.377832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.377832 (E_RNA) where: Base-Base interactions energy: -1344.651 where: short stacking energy: -566.911 Base-Backbone interact. energy: 0.841 local terms energy: -583.567313 where: bonds (distance) C4'-P energy: -92.754 bonds (distance) P-C4' energy: -103.790 flat angles C4'-P-C4' energy: -135.974 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -174.820 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: 283 Temperature: 1.250000 Total energy: -1646.440682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.440682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.440682 (E_RNA) where: Base-Base interactions energy: -1140.748 where: short stacking energy: -485.748 Base-Backbone interact. energy: -2.467 local terms energy: -503.225945 where: bonds (distance) C4'-P energy: -78.849 bonds (distance) P-C4' energy: -115.025 flat angles C4'-P-C4' energy: -128.729 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -113.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1323.620483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.620483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.620483 (E_RNA) where: Base-Base interactions energy: -851.370 where: short stacking energy: -374.505 Base-Backbone interact. energy: -1.672 local terms energy: -470.578913 where: bonds (distance) C4'-P energy: -95.229 bonds (distance) P-C4' energy: -105.317 flat angles C4'-P-C4' energy: -114.926 flat angles P-C4'-P energy: -80.207 tors. eta vs tors. theta energy: -74.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1031.550131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.550131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.550131 (E_RNA) where: Base-Base interactions energy: -599.042 where: short stacking energy: -270.774 Base-Backbone interact. energy: -0.012 local terms energy: -432.495787 where: bonds (distance) C4'-P energy: -99.864 bonds (distance) P-C4' energy: -119.007 flat angles C4'-P-C4' energy: -121.314 flat angles P-C4'-P energy: -56.876 tors. eta vs tors. theta energy: -35.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2679.492705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.492705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.492705 (E_RNA) where: Base-Base interactions energy: -1889.893 where: short stacking energy: -774.037 Base-Backbone interact. energy: 0.118 local terms energy: -789.718326 where: bonds (distance) C4'-P energy: -144.191 bonds (distance) P-C4' energy: -139.144 flat angles C4'-P-C4' energy: -156.374 flat angles P-C4'-P energy: -115.987 tors. eta vs tors. theta energy: -234.022 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: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2566.435739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.435739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.435739 (E_RNA) where: Base-Base interactions energy: -1827.311 where: short stacking energy: -774.472 Base-Backbone interact. energy: 1.093 local terms energy: -740.217819 where: bonds (distance) C4'-P energy: -126.621 bonds (distance) P-C4' energy: -127.407 flat angles C4'-P-C4' energy: -157.703 flat angles P-C4'-P energy: -112.315 tors. eta vs tors. theta energy: -216.172 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: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2525.440110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.440110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.440110 (E_RNA) where: Base-Base interactions energy: -1785.041 where: short stacking energy: -715.728 Base-Backbone interact. energy: -1.454 local terms energy: -738.945471 where: bonds (distance) C4'-P energy: -129.208 bonds (distance) P-C4' energy: -135.109 flat angles C4'-P-C4' energy: -147.711 flat angles P-C4'-P energy: -101.584 tors. eta vs tors. theta energy: -225.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2475.871584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.871584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.871584 (E_RNA) where: Base-Base interactions energy: -1767.245 where: short stacking energy: -720.245 Base-Backbone interact. energy: -1.185 local terms energy: -707.441949 where: bonds (distance) C4'-P energy: -108.003 bonds (distance) P-C4' energy: -124.531 flat angles C4'-P-C4' energy: -143.722 flat angles P-C4'-P energy: -101.782 tors. eta vs tors. theta energy: -229.403 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: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2435.161098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.161098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.161098 (E_RNA) where: Base-Base interactions energy: -1770.196 where: short stacking energy: -698.375 Base-Backbone interact. energy: 5.495 local terms energy: -670.460664 where: bonds (distance) C4'-P energy: -120.160 bonds (distance) P-C4' energy: -108.943 flat angles C4'-P-C4' energy: -147.578 flat angles P-C4'-P energy: -92.665 tors. eta vs tors. theta energy: -201.115 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: 284 Temperature: 1.150000 Total energy: -2314.676343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.676343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.676343 (E_RNA) where: Base-Base interactions energy: -1617.044 where: short stacking energy: -655.760 Base-Backbone interact. energy: -0.550 local terms energy: -697.081966 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -122.153 flat angles C4'-P-C4' energy: -149.944 flat angles P-C4'-P energy: -89.383 tors. eta vs tors. theta energy: -210.792 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: 284 Temperature: 1.200000 Total energy: -1908.613963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.613963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.613963 (E_RNA) where: Base-Base interactions energy: -1279.161 where: short stacking energy: -529.174 Base-Backbone interact. energy: -0.838 local terms energy: -628.614168 where: bonds (distance) C4'-P energy: -112.132 bonds (distance) P-C4' energy: -127.485 flat angles C4'-P-C4' energy: -146.087 flat angles P-C4'-P energy: -80.230 tors. eta vs tors. theta energy: -162.679 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: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1641.169413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.169413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.169413 (E_RNA) where: Base-Base interactions energy: -1095.199 where: short stacking energy: -481.082 Base-Backbone interact. energy: -2.921 local terms energy: -543.049592 where: bonds (distance) C4'-P energy: -105.105 bonds (distance) P-C4' energy: -118.413 flat angles C4'-P-C4' energy: -122.647 flat angles P-C4'-P energy: -79.291 tors. eta vs tors. theta energy: -117.593 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: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1332.720199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.720199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.720199 (E_RNA) where: Base-Base interactions energy: -853.195 where: short stacking energy: -401.811 Base-Backbone interact. energy: -2.063 local terms energy: -477.461640 where: bonds (distance) C4'-P energy: -101.941 bonds (distance) P-C4' energy: -98.008 flat angles C4'-P-C4' energy: -101.302 flat angles P-C4'-P energy: -83.522 tors. eta vs tors. theta energy: -92.690 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: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1113.932940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.932940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.932940 (E_RNA) where: Base-Base interactions energy: -682.490 where: short stacking energy: -293.737 Base-Backbone interact. energy: 0.997 local terms energy: -432.440271 where: bonds (distance) C4'-P energy: -94.316 bonds (distance) P-C4' energy: -114.484 flat angles C4'-P-C4' energy: -104.185 flat angles P-C4'-P energy: -73.960 tors. eta vs tors. theta energy: -45.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2669.165772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.165772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.165772 (E_RNA) where: Base-Base interactions energy: -1914.835 where: short stacking energy: -772.695 Base-Backbone interact. energy: -1.768 local terms energy: -752.562791 where: bonds (distance) C4'-P energy: -132.159 bonds (distance) P-C4' energy: -129.730 flat angles C4'-P-C4' energy: -160.835 flat angles P-C4'-P energy: -89.531 tors. eta vs tors. theta energy: -240.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2564.032969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.032969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.032969 (E_RNA) where: Base-Base interactions energy: -1803.101 where: short stacking energy: -750.467 Base-Backbone interact. energy: 0.056 local terms energy: -760.987804 where: bonds (distance) C4'-P energy: -133.915 bonds (distance) P-C4' energy: -131.998 flat angles C4'-P-C4' energy: -152.733 flat angles P-C4'-P energy: -110.604 tors. eta vs tors. theta energy: -231.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2505.267343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.267343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.267343 (E_RNA) where: Base-Base interactions energy: -1780.074 where: short stacking energy: -751.963 Base-Backbone interact. energy: 0.054 local terms energy: -725.246708 where: bonds (distance) C4'-P energy: -127.702 bonds (distance) P-C4' energy: -122.708 flat angles C4'-P-C4' energy: -154.378 flat angles P-C4'-P energy: -98.195 tors. eta vs tors. theta energy: -222.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2491.280964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.280964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.280964 (E_RNA) where: Base-Base interactions energy: -1770.245 where: short stacking energy: -730.204 Base-Backbone interact. energy: -1.661 local terms energy: -719.374983 where: bonds (distance) C4'-P energy: -127.625 bonds (distance) P-C4' energy: -119.893 flat angles C4'-P-C4' energy: -151.705 flat angles P-C4'-P energy: -96.245 tors. eta vs tors. theta energy: -223.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2443.583354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.583354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.583354 (E_RNA) where: Base-Base interactions energy: -1743.464 where: short stacking energy: -667.898 Base-Backbone interact. energy: -0.766 local terms energy: -699.354039 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -131.946 flat angles C4'-P-C4' energy: -152.910 flat angles P-C4'-P energy: -93.649 tors. eta vs tors. theta energy: -203.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2291.963544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.963544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.963544 (E_RNA) where: Base-Base interactions energy: -1635.332 where: short stacking energy: -693.029 Base-Backbone interact. energy: -0.501 local terms energy: -656.130173 where: bonds (distance) C4'-P energy: -120.282 bonds (distance) P-C4' energy: -108.580 flat angles C4'-P-C4' energy: -133.933 flat angles P-C4'-P energy: -91.039 tors. eta vs tors. theta energy: -202.296 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: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1951.601865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.601865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.601865 (E_RNA) where: Base-Base interactions energy: -1363.511 where: short stacking energy: -567.304 Base-Backbone interact. energy: -3.202 local terms energy: -584.888493 where: bonds (distance) C4'-P energy: -114.797 bonds (distance) P-C4' energy: -99.590 flat angles C4'-P-C4' energy: -125.074 flat angles P-C4'-P energy: -83.254 tors. eta vs tors. theta energy: -162.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1626.666359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.666359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.666359 (E_RNA) where: Base-Base interactions energy: -1113.338 where: short stacking energy: -475.028 Base-Backbone interact. energy: 0.499 local terms energy: -513.827875 where: bonds (distance) C4'-P energy: -111.275 bonds (distance) P-C4' energy: -105.270 flat angles C4'-P-C4' energy: -113.856 flat angles P-C4'-P energy: -70.321 tors. eta vs tors. theta energy: -113.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1349.233917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.233917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.233917 (E_RNA) where: Base-Base interactions energy: -894.464 where: short stacking energy: -413.762 Base-Backbone interact. energy: -3.139 local terms energy: -451.630737 where: bonds (distance) C4'-P energy: -89.550 bonds (distance) P-C4' energy: -107.120 flat angles C4'-P-C4' energy: -101.562 flat angles P-C4'-P energy: -72.668 tors. eta vs tors. theta energy: -80.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1088.184834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.184834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.184834 (E_RNA) where: Base-Base interactions energy: -668.481 where: short stacking energy: -286.604 Base-Backbone interact. energy: 4.430 local terms energy: -424.134533 where: bonds (distance) C4'-P energy: -96.880 bonds (distance) P-C4' energy: -122.316 flat angles C4'-P-C4' energy: -115.698 flat angles P-C4'-P energy: -54.094 tors. eta vs tors. theta energy: -35.146 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: 286 Temperature: 0.900000 Total energy: -2727.310767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.310767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.310767 (E_RNA) where: Base-Base interactions energy: -1927.773 where: short stacking energy: -775.200 Base-Backbone interact. energy: -2.689 local terms energy: -796.848560 where: bonds (distance) C4'-P energy: -139.498 bonds (distance) P-C4' energy: -144.358 flat angles C4'-P-C4' energy: -157.320 flat angles P-C4'-P energy: -113.720 tors. eta vs tors. theta energy: -241.953 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: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2574.293905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.293905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.293905 (E_RNA) where: Base-Base interactions energy: -1828.344 where: short stacking energy: -761.629 Base-Backbone interact. energy: -0.300 local terms energy: -745.649937 where: bonds (distance) C4'-P energy: -122.816 bonds (distance) P-C4' energy: -120.631 flat angles C4'-P-C4' energy: -162.557 flat angles P-C4'-P energy: -99.489 tors. eta vs tors. theta energy: -240.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2506.329603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.329603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.329603 (E_RNA) where: Base-Base interactions energy: -1774.585 where: short stacking energy: -724.446 Base-Backbone interact. energy: -1.613 local terms energy: -730.131375 where: bonds (distance) C4'-P energy: -113.451 bonds (distance) P-C4' energy: -130.912 flat angles C4'-P-C4' energy: -163.257 flat angles P-C4'-P energy: -106.720 tors. eta vs tors. theta energy: -215.792 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: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2442.394723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.394723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.394723 (E_RNA) where: Base-Base interactions energy: -1733.871 where: short stacking energy: -722.486 Base-Backbone interact. energy: -0.035 local terms energy: -708.488659 where: bonds (distance) C4'-P energy: -118.204 bonds (distance) P-C4' energy: -124.645 flat angles C4'-P-C4' energy: -148.947 flat angles P-C4'-P energy: -98.772 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: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2463.959818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.959818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.959818 (E_RNA) where: Base-Base interactions energy: -1765.346 where: short stacking energy: -693.477 Base-Backbone interact. energy: -2.624 local terms energy: -695.989723 where: bonds (distance) C4'-P energy: -122.933 bonds (distance) P-C4' energy: -129.373 flat angles C4'-P-C4' energy: -143.722 flat angles P-C4'-P energy: -99.929 tors. eta vs tors. theta energy: -200.033 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2279.180082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.180082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.180082 (E_RNA) where: Base-Base interactions energy: -1623.795 where: short stacking energy: -667.872 Base-Backbone interact. energy: -2.380 local terms energy: -653.005022 where: bonds (distance) C4'-P energy: -102.820 bonds (distance) P-C4' energy: -116.041 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -91.993 tors. eta vs tors. theta energy: -203.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1863.597507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.597507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.597507 (E_RNA) where: Base-Base interactions energy: -1277.871 where: short stacking energy: -548.173 Base-Backbone interact. energy: -1.159 local terms energy: -584.567414 where: bonds (distance) C4'-P energy: -114.296 bonds (distance) P-C4' energy: -107.208 flat angles C4'-P-C4' energy: -132.610 flat angles P-C4'-P energy: -84.674 tors. eta vs tors. theta energy: -145.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1660.802861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.802861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.802861 (E_RNA) where: Base-Base interactions energy: -1095.987 where: short stacking energy: -468.708 Base-Backbone interact. energy: 3.302 local terms energy: -568.117634 where: bonds (distance) C4'-P energy: -99.708 bonds (distance) P-C4' energy: -119.153 flat angles C4'-P-C4' energy: -132.997 flat angles P-C4'-P energy: -91.690 tors. eta vs tors. theta energy: -124.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1391.557135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.557135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.557135 (E_RNA) where: Base-Base interactions energy: -933.537 where: short stacking energy: -420.624 Base-Backbone interact. energy: -1.007 local terms energy: -457.013759 where: bonds (distance) C4'-P energy: -108.185 bonds (distance) P-C4' energy: -102.113 flat angles C4'-P-C4' energy: -87.526 flat angles P-C4'-P energy: -64.122 tors. eta vs tors. theta energy: -95.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1176.224239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.224239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.224239 (E_RNA) where: Base-Base interactions energy: -717.315 where: short stacking energy: -340.683 Base-Backbone interact. energy: -0.334 local terms energy: -458.575009 where: bonds (distance) C4'-P energy: -108.351 bonds (distance) P-C4' energy: -119.416 flat angles C4'-P-C4' energy: -124.525 flat angles P-C4'-P energy: -41.907 tors. eta vs tors. theta energy: -64.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2694.552573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.552573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.552573 (E_RNA) where: Base-Base interactions energy: -1908.774 where: short stacking energy: -779.099 Base-Backbone interact. energy: 0.485 local terms energy: -786.263798 where: bonds (distance) C4'-P energy: -129.523 bonds (distance) P-C4' energy: -131.506 flat angles C4'-P-C4' energy: -156.544 flat angles P-C4'-P energy: -117.957 tors. eta vs tors. theta energy: -250.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2585.970148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.970148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.970148 (E_RNA) where: Base-Base interactions energy: -1807.732 where: short stacking energy: -759.199 Base-Backbone interact. energy: 3.870 local terms energy: -782.107331 where: bonds (distance) C4'-P energy: -128.323 bonds (distance) P-C4' energy: -140.212 flat angles C4'-P-C4' energy: -165.571 flat angles P-C4'-P energy: -112.409 tors. eta vs tors. theta energy: -235.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2527.461496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.461496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.461496 (E_RNA) where: Base-Base interactions energy: -1769.853 where: short stacking energy: -739.412 Base-Backbone interact. energy: -1.366 local terms energy: -756.242621 where: bonds (distance) C4'-P energy: -134.816 bonds (distance) P-C4' energy: -133.112 flat angles C4'-P-C4' energy: -152.752 flat angles P-C4'-P energy: -104.422 tors. eta vs tors. theta energy: -231.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2520.717068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.717068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.717068 (E_RNA) where: Base-Base interactions energy: -1785.368 where: short stacking energy: -691.321 Base-Backbone interact. energy: -3.738 local terms energy: -731.611055 where: bonds (distance) C4'-P energy: -131.682 bonds (distance) P-C4' energy: -135.928 flat angles C4'-P-C4' energy: -147.153 flat angles P-C4'-P energy: -102.859 tors. eta vs tors. theta energy: -213.990 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2413.681353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.681353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.681353 (E_RNA) where: Base-Base interactions energy: -1731.627 where: short stacking energy: -713.762 Base-Backbone interact. energy: 5.206 local terms energy: -687.260219 where: bonds (distance) C4'-P energy: -122.282 bonds (distance) P-C4' energy: -107.275 flat angles C4'-P-C4' energy: -148.467 flat angles P-C4'-P energy: -85.190 tors. eta vs tors. theta energy: -224.046 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: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2316.011037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.011037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.011037 (E_RNA) where: Base-Base interactions energy: -1647.400 where: short stacking energy: -663.282 Base-Backbone interact. energy: -1.515 local terms energy: -667.096177 where: bonds (distance) C4'-P energy: -108.734 bonds (distance) P-C4' energy: -129.469 flat angles C4'-P-C4' energy: -151.480 flat angles P-C4'-P energy: -82.534 tors. eta vs tors. theta energy: -194.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1813.008066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.008066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.008066 (E_RNA) where: Base-Base interactions energy: -1265.175 where: short stacking energy: -519.500 Base-Backbone interact. energy: -1.382 local terms energy: -546.450910 where: bonds (distance) C4'-P energy: -114.205 bonds (distance) P-C4' energy: -112.763 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -81.327 tors. eta vs tors. theta energy: -132.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1565.246129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.246129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.246129 (E_RNA) where: Base-Base interactions energy: -1058.090 where: short stacking energy: -432.881 Base-Backbone interact. energy: 0.794 local terms energy: -507.950376 where: bonds (distance) C4'-P energy: -110.223 bonds (distance) P-C4' energy: -121.137 flat angles C4'-P-C4' energy: -111.234 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -98.509 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: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1395.803345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.803345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.803345 (E_RNA) where: Base-Base interactions energy: -935.252 where: short stacking energy: -420.053 Base-Backbone interact. energy: 1.870 local terms energy: -462.421876 where: bonds (distance) C4'-P energy: -115.713 bonds (distance) P-C4' energy: -112.543 flat angles C4'-P-C4' energy: -93.489 flat angles P-C4'-P energy: -61.349 tors. eta vs tors. theta energy: -79.327 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: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1089.419775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.419775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.419775 (E_RNA) where: Base-Base interactions energy: -667.418 where: short stacking energy: -310.892 Base-Backbone interact. energy: -1.500 local terms energy: -420.501654 where: bonds (distance) C4'-P energy: -95.955 bonds (distance) P-C4' energy: -113.500 flat angles C4'-P-C4' energy: -104.435 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: -40.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2708.577815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.577815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.577815 (E_RNA) where: Base-Base interactions energy: -1897.818 where: short stacking energy: -789.292 Base-Backbone interact. energy: -2.857 local terms energy: -807.902692 where: bonds (distance) C4'-P energy: -137.020 bonds (distance) P-C4' energy: -138.546 flat angles C4'-P-C4' energy: -171.121 flat angles P-C4'-P energy: -111.529 tors. eta vs tors. theta energy: -249.688 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: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2577.891962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.891962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.891962 (E_RNA) where: Base-Base interactions energy: -1837.570 where: short stacking energy: -768.351 Base-Backbone interact. energy: -1.036 local terms energy: -739.285438 where: bonds (distance) C4'-P energy: -108.480 bonds (distance) P-C4' energy: -136.855 flat angles C4'-P-C4' energy: -158.735 flat angles P-C4'-P energy: -105.811 tors. eta vs tors. theta energy: -229.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2519.160697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.160697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.160697 (E_RNA) where: Base-Base interactions energy: -1773.832 where: short stacking energy: -732.214 Base-Backbone interact. energy: -0.171 local terms energy: -745.157830 where: bonds (distance) C4'-P energy: -123.566 bonds (distance) P-C4' energy: -129.331 flat angles C4'-P-C4' energy: -160.280 flat angles P-C4'-P energy: -102.899 tors. eta vs tors. theta energy: -229.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2492.688178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.688178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.688178 (E_RNA) where: Base-Base interactions energy: -1800.952 where: short stacking energy: -694.693 Base-Backbone interact. energy: 0.904 local terms energy: -692.640708 where: bonds (distance) C4'-P energy: -114.347 bonds (distance) P-C4' energy: -126.071 flat angles C4'-P-C4' energy: -151.717 flat angles P-C4'-P energy: -98.103 tors. eta vs tors. theta energy: -202.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2395.221449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.221449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.221449 (E_RNA) where: Base-Base interactions energy: -1682.304 where: short stacking energy: -708.223 Base-Backbone interact. energy: -0.464 local terms energy: -712.453979 where: bonds (distance) C4'-P energy: -117.719 bonds (distance) P-C4' energy: -119.047 flat angles C4'-P-C4' energy: -155.859 flat angles P-C4'-P energy: -101.186 tors. eta vs tors. theta energy: -218.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2293.733722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.733722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.733722 (E_RNA) where: Base-Base interactions energy: -1629.757 where: short stacking energy: -676.136 Base-Backbone interact. energy: -0.820 local terms energy: -663.157205 where: bonds (distance) C4'-P energy: -98.647 bonds (distance) P-C4' energy: -121.360 flat angles C4'-P-C4' energy: -149.469 flat angles P-C4'-P energy: -95.842 tors. eta vs tors. theta energy: -197.838 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: 288 Temperature: 1.200000 Total energy: -1821.153201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.153201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.153201 (E_RNA) where: Base-Base interactions energy: -1253.385 where: short stacking energy: -523.056 Base-Backbone interact. energy: -4.083 local terms energy: -563.685573 where: bonds (distance) C4'-P energy: -109.918 bonds (distance) P-C4' energy: -101.657 flat angles C4'-P-C4' energy: -130.813 flat angles P-C4'-P energy: -81.868 tors. eta vs tors. theta energy: -139.430 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: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1525.041661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.041661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.041661 (E_RNA) where: Base-Base interactions energy: -998.005 where: short stacking energy: -426.227 Base-Backbone interact. energy: -1.235 local terms energy: -525.801169 where: bonds (distance) C4'-P energy: -110.027 bonds (distance) P-C4' energy: -121.295 flat angles C4'-P-C4' energy: -118.712 flat angles P-C4'-P energy: -81.418 tors. eta vs tors. theta energy: -94.349 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: 4 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1381.699747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.699747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.699747 (E_RNA) where: Base-Base interactions energy: -927.915 where: short stacking energy: -406.013 Base-Backbone interact. energy: 0.324 local terms energy: -454.108209 where: bonds (distance) C4'-P energy: -107.522 bonds (distance) P-C4' energy: -111.970 flat angles C4'-P-C4' energy: -112.936 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: -70.744 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: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1100.298067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.298067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.298067 (E_RNA) where: Base-Base interactions energy: -696.987 where: short stacking energy: -296.552 Base-Backbone interact. energy: 2.105 local terms energy: -405.416257 where: bonds (distance) C4'-P energy: -105.421 bonds (distance) P-C4' energy: -102.043 flat angles C4'-P-C4' energy: -108.306 flat angles P-C4'-P energy: -56.679 tors. eta vs tors. theta energy: -32.966 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: 289 Temperature: 0.900000 Total energy: -2693.122623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.122623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.122623 (E_RNA) where: Base-Base interactions energy: -1902.885 where: short stacking energy: -776.649 Base-Backbone interact. energy: -2.232 local terms energy: -788.005465 where: bonds (distance) C4'-P energy: -134.583 bonds (distance) P-C4' energy: -135.373 flat angles C4'-P-C4' energy: -161.451 flat angles P-C4'-P energy: -112.441 tors. eta vs tors. theta energy: -244.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2565.975052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.975052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.975052 (E_RNA) where: Base-Base interactions energy: -1811.935 where: short stacking energy: -745.421 Base-Backbone interact. energy: 2.028 local terms energy: -756.068645 where: bonds (distance) C4'-P energy: -129.049 bonds (distance) P-C4' energy: -129.914 flat angles C4'-P-C4' energy: -160.755 flat angles P-C4'-P energy: -104.949 tors. eta vs tors. theta energy: -231.401 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: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2527.929046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.929046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.929046 (E_RNA) where: Base-Base interactions energy: -1787.600 where: short stacking energy: -723.808 Base-Backbone interact. energy: -0.626 local terms energy: -739.703458 where: bonds (distance) C4'-P energy: -131.942 bonds (distance) P-C4' energy: -121.684 flat angles C4'-P-C4' energy: -153.766 flat angles P-C4'-P energy: -102.814 tors. eta vs tors. theta energy: -229.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2483.628550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.628550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.628550 (E_RNA) where: Base-Base interactions energy: -1784.560 where: short stacking energy: -713.119 Base-Backbone interact. energy: -3.930 local terms energy: -695.138118 where: bonds (distance) C4'-P energy: -110.130 bonds (distance) P-C4' energy: -133.958 flat angles C4'-P-C4' energy: -145.945 flat angles P-C4'-P energy: -89.900 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: 5, replica: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2425.636572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.636572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.636572 (E_RNA) where: Base-Base interactions energy: -1708.901 where: short stacking energy: -714.562 Base-Backbone interact. energy: -2.181 local terms energy: -714.554193 where: bonds (distance) C4'-P energy: -103.643 bonds (distance) P-C4' energy: -133.192 flat angles C4'-P-C4' energy: -154.313 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -228.072 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: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2322.635794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.635794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.635794 (E_RNA) where: Base-Base interactions energy: -1639.473 where: short stacking energy: -675.518 Base-Backbone interact. energy: 0.147 local terms energy: -683.309773 where: bonds (distance) C4'-P energy: -119.714 bonds (distance) P-C4' energy: -119.921 flat angles C4'-P-C4' energy: -143.217 flat angles P-C4'-P energy: -88.708 tors. eta vs tors. theta energy: -211.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1836.598562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.598562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.598562 (E_RNA) where: Base-Base interactions energy: -1268.594 where: short stacking energy: -527.488 Base-Backbone interact. energy: -0.426 local terms energy: -567.579291 where: bonds (distance) C4'-P energy: -87.143 bonds (distance) P-C4' energy: -117.549 flat angles C4'-P-C4' energy: -126.616 flat angles P-C4'-P energy: -82.739 tors. eta vs tors. theta energy: -153.532 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: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1482.538073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.538073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.538073 (E_RNA) where: Base-Base interactions energy: -971.660 where: short stacking energy: -417.615 Base-Backbone interact. energy: 3.703 local terms energy: -514.580537 where: bonds (distance) C4'-P energy: -105.343 bonds (distance) P-C4' energy: -121.404 flat angles C4'-P-C4' energy: -119.886 flat angles P-C4'-P energy: -77.356 tors. eta vs tors. theta energy: -90.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1367.522314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.522314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.522314 (E_RNA) where: Base-Base interactions energy: -891.753 where: short stacking energy: -404.311 Base-Backbone interact. energy: 3.082 local terms energy: -478.851510 where: bonds (distance) C4'-P energy: -106.838 bonds (distance) P-C4' energy: -107.267 flat angles C4'-P-C4' energy: -114.772 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -79.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1045.896724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.896724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.896724 (E_RNA) where: Base-Base interactions energy: -623.074 where: short stacking energy: -282.203 Base-Backbone interact. energy: -4.048 local terms energy: -418.774856 where: bonds (distance) C4'-P energy: -128.925 bonds (distance) P-C4' energy: -119.866 flat angles C4'-P-C4' energy: -97.398 flat angles P-C4'-P energy: -52.864 tors. eta vs tors. theta energy: -19.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2712.845290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.845290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.845290 (E_RNA) where: Base-Base interactions energy: -1925.012 where: short stacking energy: -765.474 Base-Backbone interact. energy: -2.224 local terms energy: -785.609275 where: bonds (distance) C4'-P energy: -137.646 bonds (distance) P-C4' energy: -133.504 flat angles C4'-P-C4' energy: -158.822 flat angles P-C4'-P energy: -113.412 tors. eta vs tors. theta energy: -242.226 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: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2600.750875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.750875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.750875 (E_RNA) where: Base-Base interactions energy: -1818.394 where: short stacking energy: -766.834 Base-Backbone interact. energy: -1.953 local terms energy: -780.404020 where: bonds (distance) C4'-P energy: -137.749 bonds (distance) P-C4' energy: -140.950 flat angles C4'-P-C4' energy: -164.589 flat angles P-C4'-P energy: -100.451 tors. eta vs tors. theta energy: -236.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2545.236350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.236350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.236350 (E_RNA) where: Base-Base interactions energy: -1795.010 where: short stacking energy: -755.510 Base-Backbone interact. energy: -0.198 local terms energy: -750.028609 where: bonds (distance) C4'-P energy: -110.744 bonds (distance) P-C4' energy: -139.451 flat angles C4'-P-C4' energy: -156.029 flat angles P-C4'-P energy: -102.722 tors. eta vs tors. theta energy: -241.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2478.906785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.906785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.906785 (E_RNA) where: Base-Base interactions energy: -1741.709 where: short stacking energy: -681.146 Base-Backbone interact. energy: 0.341 local terms energy: -737.538724 where: bonds (distance) C4'-P energy: -129.418 bonds (distance) P-C4' energy: -125.108 flat angles C4'-P-C4' energy: -156.685 flat angles P-C4'-P energy: -109.456 tors. eta vs tors. theta energy: -216.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2408.411993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.411993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.411993 (E_RNA) where: Base-Base interactions energy: -1707.468 where: short stacking energy: -672.160 Base-Backbone interact. energy: -3.403 local terms energy: -697.540199 where: bonds (distance) C4'-P energy: -130.569 bonds (distance) P-C4' energy: -111.263 flat angles C4'-P-C4' energy: -152.997 flat angles P-C4'-P energy: -86.628 tors. eta vs tors. theta energy: -216.082 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: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2294.291169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.291169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.291169 (E_RNA) where: Base-Base interactions energy: -1637.059 where: short stacking energy: -669.336 Base-Backbone interact. energy: 2.798 local terms energy: -660.030163 where: bonds (distance) C4'-P energy: -101.828 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -128.401 flat angles P-C4'-P energy: -93.176 tors. eta vs tors. theta energy: -216.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1812.645198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.645198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.645198 (E_RNA) where: Base-Base interactions energy: -1229.754 where: short stacking energy: -544.952 Base-Backbone interact. energy: -3.565 local terms energy: -579.326069 where: bonds (distance) C4'-P energy: -107.611 bonds (distance) P-C4' energy: -113.227 flat angles C4'-P-C4' energy: -135.058 flat angles P-C4'-P energy: -78.192 tors. eta vs tors. theta energy: -145.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1551.820903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.820903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.820903 (E_RNA) where: Base-Base interactions energy: -1054.829 where: short stacking energy: -427.420 Base-Backbone interact. energy: -3.119 local terms energy: -493.873057 where: bonds (distance) C4'-P energy: -98.908 bonds (distance) P-C4' energy: -97.455 flat angles C4'-P-C4' energy: -128.851 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -101.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1292.634940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.634940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.634940 (E_RNA) where: Base-Base interactions energy: -821.146 where: short stacking energy: -351.690 Base-Backbone interact. energy: 1.617 local terms energy: -473.105971 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -136.626 flat angles C4'-P-C4' energy: -113.856 flat angles P-C4'-P energy: -64.516 tors. eta vs tors. theta energy: -59.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1148.960095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.960095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.960095 (E_RNA) where: Base-Base interactions energy: -726.431 where: short stacking energy: -332.414 Base-Backbone interact. energy: 0.191 local terms energy: -422.720016 where: bonds (distance) C4'-P energy: -102.503 bonds (distance) P-C4' energy: -103.474 flat angles C4'-P-C4' energy: -101.093 flat angles P-C4'-P energy: -63.738 tors. eta vs tors. theta energy: -51.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2706.418348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.418348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.418348 (E_RNA) where: Base-Base interactions energy: -1913.700 where: short stacking energy: -763.403 Base-Backbone interact. energy: 0.970 local terms energy: -793.687932 where: bonds (distance) C4'-P energy: -135.428 bonds (distance) P-C4' energy: -139.187 flat angles C4'-P-C4' energy: -158.281 flat angles P-C4'-P energy: -117.068 tors. eta vs tors. theta energy: -243.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2572.268801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.268801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.268801 (E_RNA) where: Base-Base interactions energy: -1813.805 where: short stacking energy: -760.380 Base-Backbone interact. energy: 1.266 local terms energy: -759.729444 where: bonds (distance) C4'-P energy: -132.478 bonds (distance) P-C4' energy: -139.104 flat angles C4'-P-C4' energy: -166.228 flat angles P-C4'-P energy: -97.902 tors. eta vs tors. theta energy: -224.018 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: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2543.905810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.905810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.905810 (E_RNA) where: Base-Base interactions energy: -1789.393 where: short stacking energy: -727.689 Base-Backbone interact. energy: 0.940 local terms energy: -755.453171 where: bonds (distance) C4'-P energy: -115.970 bonds (distance) P-C4' energy: -131.835 flat angles C4'-P-C4' energy: -159.573 flat angles P-C4'-P energy: -117.118 tors. eta vs tors. theta energy: -230.958 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: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2479.670222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.670222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.670222 (E_RNA) where: Base-Base interactions energy: -1761.577 where: short stacking energy: -707.044 Base-Backbone interact. energy: -3.291 local terms energy: -714.801379 where: bonds (distance) C4'-P energy: -124.400 bonds (distance) P-C4' energy: -120.495 flat angles C4'-P-C4' energy: -144.900 flat angles P-C4'-P energy: -103.954 tors. eta vs tors. theta energy: -221.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2385.794124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.794124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.794124 (E_RNA) where: Base-Base interactions energy: -1701.347 where: short stacking energy: -700.730 Base-Backbone interact. energy: -3.167 local terms energy: -681.279974 where: bonds (distance) C4'-P energy: -125.758 bonds (distance) P-C4' energy: -115.545 flat angles C4'-P-C4' energy: -141.390 flat angles P-C4'-P energy: -84.623 tors. eta vs tors. theta energy: -213.964 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: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2319.683145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.683145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.683145 (E_RNA) where: Base-Base interactions energy: -1640.521 where: short stacking energy: -673.336 Base-Backbone interact. energy: -1.876 local terms energy: -677.286169 where: bonds (distance) C4'-P energy: -122.365 bonds (distance) P-C4' energy: -122.649 flat angles C4'-P-C4' energy: -139.187 flat angles P-C4'-P energy: -83.343 tors. eta vs tors. theta energy: -209.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1853.778120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.778120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.778120 (E_RNA) where: Base-Base interactions energy: -1262.688 where: short stacking energy: -550.437 Base-Backbone interact. energy: -1.192 local terms energy: -589.898242 where: bonds (distance) C4'-P energy: -96.583 bonds (distance) P-C4' energy: -118.876 flat angles C4'-P-C4' energy: -147.299 flat angles P-C4'-P energy: -81.857 tors. eta vs tors. theta energy: -145.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1573.381946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.381946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.381946 (E_RNA) where: Base-Base interactions energy: -1049.468 where: short stacking energy: -444.992 Base-Backbone interact. energy: -3.009 local terms energy: -520.904569 where: bonds (distance) C4'-P energy: -106.595 bonds (distance) P-C4' energy: -101.030 flat angles C4'-P-C4' energy: -124.075 flat angles P-C4'-P energy: -80.553 tors. eta vs tors. theta energy: -108.652 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: 9, replica: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1318.843671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.843671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.843671 (E_RNA) where: Base-Base interactions energy: -875.547 where: short stacking energy: -403.370 Base-Backbone interact. energy: -2.592 local terms energy: -440.704877 where: bonds (distance) C4'-P energy: -104.361 bonds (distance) P-C4' energy: -113.515 flat angles C4'-P-C4' energy: -107.336 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: -68.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1075.420331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.420331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.420331 (E_RNA) where: Base-Base interactions energy: -670.273 where: short stacking energy: -275.580 Base-Backbone interact. energy: -1.078 local terms energy: -404.069425 where: bonds (distance) C4'-P energy: -92.779 bonds (distance) P-C4' energy: -109.388 flat angles C4'-P-C4' energy: -96.487 flat angles P-C4'-P energy: -67.046 tors. eta vs tors. theta energy: -38.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2707.772306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.772306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.772306 (E_RNA) where: Base-Base interactions energy: -1890.996 where: short stacking energy: -767.623 Base-Backbone interact. energy: -3.997 local terms energy: -812.779137 where: bonds (distance) C4'-P energy: -142.124 bonds (distance) P-C4' energy: -140.819 flat angles C4'-P-C4' energy: -161.925 flat angles P-C4'-P energy: -122.648 tors. eta vs tors. theta energy: -245.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2592.186223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.186223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.186223 (E_RNA) where: Base-Base interactions energy: -1844.774 where: short stacking energy: -760.394 Base-Backbone interact. energy: -3.430 local terms energy: -743.982120 where: bonds (distance) C4'-P energy: -123.545 bonds (distance) P-C4' energy: -131.291 flat angles C4'-P-C4' energy: -158.508 flat angles P-C4'-P energy: -104.271 tors. eta vs tors. theta energy: -226.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2517.865024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.865024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.865024 (E_RNA) where: Base-Base interactions energy: -1776.240 where: short stacking energy: -713.241 Base-Backbone interact. energy: -1.444 local terms energy: -740.180835 where: bonds (distance) C4'-P energy: -130.225 bonds (distance) P-C4' energy: -121.231 flat angles C4'-P-C4' energy: -156.443 flat angles P-C4'-P energy: -99.625 tors. eta vs tors. theta energy: -232.657 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: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2482.638457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.638457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.638457 (E_RNA) where: Base-Base interactions energy: -1783.989 where: short stacking energy: -705.507 Base-Backbone interact. energy: -3.224 local terms energy: -695.425708 where: bonds (distance) C4'-P energy: -110.781 bonds (distance) P-C4' energy: -128.932 flat angles C4'-P-C4' energy: -144.836 flat angles P-C4'-P energy: -95.743 tors. eta vs tors. theta energy: -215.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2369.594190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.594190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.594190 (E_RNA) where: Base-Base interactions energy: -1685.979 where: short stacking energy: -689.556 Base-Backbone interact. energy: -1.910 local terms energy: -681.705231 where: bonds (distance) C4'-P energy: -118.601 bonds (distance) P-C4' energy: -114.845 flat angles C4'-P-C4' energy: -146.360 flat angles P-C4'-P energy: -89.915 tors. eta vs tors. theta energy: -211.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2319.334283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.334283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.334283 (E_RNA) where: Base-Base interactions energy: -1640.567 where: short stacking energy: -665.743 Base-Backbone interact. energy: -4.584 local terms energy: -674.183260 where: bonds (distance) C4'-P energy: -109.045 bonds (distance) P-C4' energy: -119.859 flat angles C4'-P-C4' energy: -131.079 flat angles P-C4'-P energy: -100.659 tors. eta vs tors. theta energy: -213.541 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: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1841.597136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.597136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.597136 (E_RNA) where: Base-Base interactions energy: -1294.043 where: short stacking energy: -539.139 Base-Backbone interact. energy: 5.773 local terms energy: -553.326966 where: bonds (distance) C4'-P energy: -109.952 bonds (distance) P-C4' energy: -109.575 flat angles C4'-P-C4' energy: -135.348 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: -125.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1632.699325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.699325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.699325 (E_RNA) where: Base-Base interactions energy: -1135.308 where: short stacking energy: -483.540 Base-Backbone interact. energy: -1.702 local terms energy: -495.689351 where: bonds (distance) C4'-P energy: -93.756 bonds (distance) P-C4' energy: -101.806 flat angles C4'-P-C4' energy: -104.579 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -116.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1356.239162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.239162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.239162 (E_RNA) where: Base-Base interactions energy: -898.601 where: short stacking energy: -392.458 Base-Backbone interact. energy: 2.543 local terms energy: -460.181201 where: bonds (distance) C4'-P energy: -107.398 bonds (distance) P-C4' energy: -108.795 flat angles C4'-P-C4' energy: -116.003 flat angles P-C4'-P energy: -58.092 tors. eta vs tors. theta energy: -69.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1086.172926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.172926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.172926 (E_RNA) where: Base-Base interactions energy: -641.768 where: short stacking energy: -301.630 Base-Backbone interact. energy: -2.029 local terms energy: -442.375586 where: bonds (distance) C4'-P energy: -108.491 bonds (distance) P-C4' energy: -121.772 flat angles C4'-P-C4' energy: -107.343 flat angles P-C4'-P energy: -59.149 tors. eta vs tors. theta energy: -45.620 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: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2679.999393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.999393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.999393 (E_RNA) where: Base-Base interactions energy: -1890.303 where: short stacking energy: -764.104 Base-Backbone interact. energy: -2.229 local terms energy: -787.467192 where: bonds (distance) C4'-P energy: -136.162 bonds (distance) P-C4' energy: -140.620 flat angles C4'-P-C4' energy: -158.197 flat angles P-C4'-P energy: -107.083 tors. eta vs tors. theta energy: -245.406 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2607.833318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.833318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.833318 (E_RNA) where: Base-Base interactions energy: -1847.834 where: short stacking energy: -749.791 Base-Backbone interact. energy: -0.538 local terms energy: -759.460431 where: bonds (distance) C4'-P energy: -153.620 bonds (distance) P-C4' energy: -120.157 flat angles C4'-P-C4' energy: -154.636 flat angles P-C4'-P energy: -98.978 tors. eta vs tors. theta energy: -232.070 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: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2550.434549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.434549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.434549 (E_RNA) where: Base-Base interactions energy: -1794.021 where: short stacking energy: -742.939 Base-Backbone interact. energy: -1.496 local terms energy: -754.917868 where: bonds (distance) C4'-P energy: -114.342 bonds (distance) P-C4' energy: -133.805 flat angles C4'-P-C4' energy: -154.378 flat angles P-C4'-P energy: -121.414 tors. eta vs tors. theta energy: -230.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2470.203854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.203854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.203854 (E_RNA) where: Base-Base interactions energy: -1770.702 where: short stacking energy: -701.270 Base-Backbone interact. energy: -3.550 local terms energy: -695.951562 where: bonds (distance) C4'-P energy: -111.147 bonds (distance) P-C4' energy: -122.982 flat angles C4'-P-C4' energy: -155.192 flat angles P-C4'-P energy: -101.230 tors. eta vs tors. theta energy: -205.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2383.322207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.322207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.322207 (E_RNA) where: Base-Base interactions energy: -1708.672 where: short stacking energy: -686.862 Base-Backbone interact. energy: -0.385 local terms energy: -674.265657 where: bonds (distance) C4'-P energy: -112.332 bonds (distance) P-C4' energy: -108.925 flat angles C4'-P-C4' energy: -143.327 flat angles P-C4'-P energy: -91.157 tors. eta vs tors. theta energy: -218.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2314.770234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.770234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.770234 (E_RNA) where: Base-Base interactions energy: -1646.141 where: short stacking energy: -682.088 Base-Backbone interact. energy: -2.855 local terms energy: -665.774271 where: bonds (distance) C4'-P energy: -121.260 bonds (distance) P-C4' energy: -110.516 flat angles C4'-P-C4' energy: -149.734 flat angles P-C4'-P energy: -89.664 tors. eta vs tors. theta energy: -194.601 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: 293 Temperature: 1.200000 Total energy: -1845.198416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.198416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.198416 (E_RNA) where: Base-Base interactions energy: -1265.374 where: short stacking energy: -545.183 Base-Backbone interact. energy: -1.753 local terms energy: -578.072154 where: bonds (distance) C4'-P energy: -112.777 bonds (distance) P-C4' energy: -110.996 flat angles C4'-P-C4' energy: -123.316 flat angles P-C4'-P energy: -82.265 tors. eta vs tors. theta energy: -148.718 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: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1601.175308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.175308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.175308 (E_RNA) where: Base-Base interactions energy: -1098.206 where: short stacking energy: -448.832 Base-Backbone interact. energy: -3.027 local terms energy: -499.942817 where: bonds (distance) C4'-P energy: -91.370 bonds (distance) P-C4' energy: -106.661 flat angles C4'-P-C4' energy: -114.359 flat angles P-C4'-P energy: -72.926 tors. eta vs tors. theta energy: -114.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1385.849955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.849955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.849955 (E_RNA) where: Base-Base interactions energy: -868.107 where: short stacking energy: -400.576 Base-Backbone interact. energy: -2.105 local terms energy: -515.637920 where: bonds (distance) C4'-P energy: -111.760 bonds (distance) P-C4' energy: -127.942 flat angles C4'-P-C4' energy: -96.113 flat angles P-C4'-P energy: -79.920 tors. eta vs tors. theta energy: -99.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1162.551736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.551736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.551736 (E_RNA) where: Base-Base interactions energy: -749.439 where: short stacking energy: -329.990 Base-Backbone interact. energy: 2.028 local terms energy: -415.140177 where: bonds (distance) C4'-P energy: -101.804 bonds (distance) P-C4' energy: -104.854 flat angles C4'-P-C4' energy: -95.234 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -56.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2681.003584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.003584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.003584 (E_RNA) where: Base-Base interactions energy: -1902.834 where: short stacking energy: -777.620 Base-Backbone interact. energy: -3.065 local terms energy: -775.105036 where: bonds (distance) C4'-P energy: -138.514 bonds (distance) P-C4' energy: -123.539 flat angles C4'-P-C4' energy: -161.216 flat angles P-C4'-P energy: -110.838 tors. eta vs tors. theta energy: -240.998 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: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2598.151463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.151463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.151463 (E_RNA) where: Base-Base interactions energy: -1833.966 where: short stacking energy: -764.716 Base-Backbone interact. energy: -0.331 local terms energy: -763.854217 where: bonds (distance) C4'-P energy: -133.232 bonds (distance) P-C4' energy: -119.368 flat angles C4'-P-C4' energy: -160.904 flat angles P-C4'-P energy: -107.917 tors. eta vs tors. theta energy: -242.432 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: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2531.656232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.656232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.656232 (E_RNA) where: Base-Base interactions energy: -1795.439 where: short stacking energy: -753.717 Base-Backbone interact. energy: -1.147 local terms energy: -735.069767 where: bonds (distance) C4'-P energy: -128.751 bonds (distance) P-C4' energy: -127.680 flat angles C4'-P-C4' energy: -143.412 flat angles P-C4'-P energy: -106.277 tors. eta vs tors. theta energy: -228.949 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: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2482.778539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.778539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.778539 (E_RNA) where: Base-Base interactions energy: -1772.337 where: short stacking energy: -700.185 Base-Backbone interact. energy: -3.303 local terms energy: -707.138215 where: bonds (distance) C4'-P energy: -123.831 bonds (distance) P-C4' energy: -132.661 flat angles C4'-P-C4' energy: -150.859 flat angles P-C4'-P energy: -91.352 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: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2407.004819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.004819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.004819 (E_RNA) where: Base-Base interactions energy: -1703.952 where: short stacking energy: -696.692 Base-Backbone interact. energy: -2.918 local terms energy: -700.135151 where: bonds (distance) C4'-P energy: -120.604 bonds (distance) P-C4' energy: -96.526 flat angles C4'-P-C4' energy: -152.054 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -227.987 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: 294 Temperature: 1.150000 Total energy: -2295.901490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.901490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.901490 (E_RNA) where: Base-Base interactions energy: -1632.088 where: short stacking energy: -683.318 Base-Backbone interact. energy: -2.703 local terms energy: -661.110309 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -119.771 flat angles C4'-P-C4' energy: -141.855 flat angles P-C4'-P energy: -93.017 tors. eta vs tors. theta energy: -198.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1904.588017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.588017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.588017 (E_RNA) where: Base-Base interactions energy: -1340.344 where: short stacking energy: -568.914 Base-Backbone interact. energy: -3.221 local terms energy: -561.022101 where: bonds (distance) C4'-P energy: -107.763 bonds (distance) P-C4' energy: -110.546 flat angles C4'-P-C4' energy: -127.904 flat angles P-C4'-P energy: -71.001 tors. eta vs tors. theta energy: -143.808 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: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1634.852716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.852716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.852716 (E_RNA) where: Base-Base interactions energy: -1090.909 where: short stacking energy: -479.033 Base-Backbone interact. energy: -0.727 local terms energy: -543.216711 where: bonds (distance) C4'-P energy: -124.244 bonds (distance) P-C4' energy: -111.093 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -80.440 tors. eta vs tors. theta energy: -110.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1443.979947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.979947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.979947 (E_RNA) where: Base-Base interactions energy: -941.715 where: short stacking energy: -412.803 Base-Backbone interact. energy: -1.203 local terms energy: -501.062348 where: bonds (distance) C4'-P energy: -111.336 bonds (distance) P-C4' energy: -113.614 flat angles C4'-P-C4' energy: -111.644 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -91.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1173.403618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.403618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.403618 (E_RNA) where: Base-Base interactions energy: -738.338 where: short stacking energy: -337.696 Base-Backbone interact. energy: -2.628 local terms energy: -432.437338 where: bonds (distance) C4'-P energy: -96.641 bonds (distance) P-C4' energy: -92.079 flat angles C4'-P-C4' energy: -100.255 flat angles P-C4'-P energy: -63.998 tors. eta vs tors. theta energy: -79.465 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: 295 Temperature: 0.900000 Total energy: -2683.559169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.559169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.559169 (E_RNA) where: Base-Base interactions energy: -1904.618 where: short stacking energy: -778.678 Base-Backbone interact. energy: 1.192 local terms energy: -780.133251 where: bonds (distance) C4'-P energy: -125.410 bonds (distance) P-C4' energy: -149.215 flat angles C4'-P-C4' energy: -164.068 flat angles P-C4'-P energy: -101.100 tors. eta vs tors. theta energy: -240.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2599.057033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.057033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.057033 (E_RNA) where: Base-Base interactions energy: -1838.696 where: short stacking energy: -752.722 Base-Backbone interact. energy: -0.157 local terms energy: -760.204253 where: bonds (distance) C4'-P energy: -124.651 bonds (distance) P-C4' energy: -142.346 flat angles C4'-P-C4' energy: -152.945 flat angles P-C4'-P energy: -100.862 tors. eta vs tors. theta energy: -239.400 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: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2538.808278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.808278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.808278 (E_RNA) where: Base-Base interactions energy: -1795.732 where: short stacking energy: -730.885 Base-Backbone interact. energy: 0.130 local terms energy: -743.206121 where: bonds (distance) C4'-P energy: -124.493 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -152.942 flat angles P-C4'-P energy: -97.525 tors. eta vs tors. theta energy: -223.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2427.713032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.713032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.713032 (E_RNA) where: Base-Base interactions energy: -1724.286 where: short stacking energy: -694.767 Base-Backbone interact. energy: -0.816 local terms energy: -702.610873 where: bonds (distance) C4'-P energy: -117.983 bonds (distance) P-C4' energy: -117.084 flat angles C4'-P-C4' energy: -161.750 flat angles P-C4'-P energy: -98.881 tors. eta vs tors. theta energy: -206.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2414.133867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.133867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.133867 (E_RNA) where: Base-Base interactions energy: -1694.941 where: short stacking energy: -698.456 Base-Backbone interact. energy: -2.013 local terms energy: -717.179874 where: bonds (distance) C4'-P energy: -112.713 bonds (distance) P-C4' energy: -123.321 flat angles C4'-P-C4' energy: -155.763 flat angles P-C4'-P energy: -97.095 tors. eta vs tors. theta energy: -228.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2287.992812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.992812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.992812 (E_RNA) where: Base-Base interactions energy: -1633.723 where: short stacking energy: -665.139 Base-Backbone interact. energy: 1.306 local terms energy: -655.575735 where: bonds (distance) C4'-P energy: -116.827 bonds (distance) P-C4' energy: -107.151 flat angles C4'-P-C4' energy: -138.294 flat angles P-C4'-P energy: -89.655 tors. eta vs tors. theta energy: -203.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1900.122762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.122762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.122762 (E_RNA) where: Base-Base interactions energy: -1322.192 where: short stacking energy: -572.184 Base-Backbone interact. energy: -0.161 local terms energy: -577.768934 where: bonds (distance) C4'-P energy: -99.508 bonds (distance) P-C4' energy: -103.275 flat angles C4'-P-C4' energy: -128.023 flat angles P-C4'-P energy: -74.748 tors. eta vs tors. theta energy: -172.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1613.329742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.329742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.329742 (E_RNA) where: Base-Base interactions energy: -1068.248 where: short stacking energy: -473.566 Base-Backbone interact. energy: -2.501 local terms energy: -542.581038 where: bonds (distance) C4'-P energy: -113.293 bonds (distance) P-C4' energy: -125.244 flat angles C4'-P-C4' energy: -123.427 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -101.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1496.655128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.655128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.655128 (E_RNA) where: Base-Base interactions energy: -987.248 where: short stacking energy: -459.205 Base-Backbone interact. energy: -0.703 local terms energy: -508.705023 where: bonds (distance) C4'-P energy: -101.856 bonds (distance) P-C4' energy: -106.544 flat angles C4'-P-C4' energy: -110.167 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -111.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1161.521963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.521963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.521963 (E_RNA) where: Base-Base interactions energy: -725.832 where: short stacking energy: -328.970 Base-Backbone interact. energy: -3.657 local terms energy: -432.032783 where: bonds (distance) C4'-P energy: -109.906 bonds (distance) P-C4' energy: -95.269 flat angles C4'-P-C4' energy: -95.136 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: -50.820 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: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2698.574397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.574397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.574397 (E_RNA) where: Base-Base interactions energy: -1922.903 where: short stacking energy: -793.041 Base-Backbone interact. energy: -1.309 local terms energy: -774.362499 where: bonds (distance) C4'-P energy: -131.789 bonds (distance) P-C4' energy: -133.828 flat angles C4'-P-C4' energy: -160.466 flat angles P-C4'-P energy: -108.738 tors. eta vs tors. theta energy: -239.543 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: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2594.902228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.902228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.902228 (E_RNA) where: Base-Base interactions energy: -1838.599 where: short stacking energy: -746.574 Base-Backbone interact. energy: -1.256 local terms energy: -755.047082 where: bonds (distance) C4'-P energy: -118.949 bonds (distance) P-C4' energy: -129.691 flat angles C4'-P-C4' energy: -157.657 flat angles P-C4'-P energy: -107.515 tors. eta vs tors. theta energy: -241.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2551.406557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.406557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.406557 (E_RNA) where: Base-Base interactions energy: -1813.072 where: short stacking energy: -744.521 Base-Backbone interact. energy: 2.941 local terms energy: -741.275388 where: bonds (distance) C4'-P energy: -120.777 bonds (distance) P-C4' energy: -121.910 flat angles C4'-P-C4' energy: -157.661 flat angles P-C4'-P energy: -113.295 tors. eta vs tors. theta energy: -227.632 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: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2452.076327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.076327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.076327 (E_RNA) where: Base-Base interactions energy: -1750.545 where: short stacking energy: -688.941 Base-Backbone interact. energy: -2.077 local terms energy: -699.454013 where: bonds (distance) C4'-P energy: -120.420 bonds (distance) P-C4' energy: -131.090 flat angles C4'-P-C4' energy: -141.208 flat angles P-C4'-P energy: -104.979 tors. eta vs tors. theta energy: -201.757 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: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2443.610500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.610500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.610500 (E_RNA) where: Base-Base interactions energy: -1743.832 where: short stacking energy: -710.305 Base-Backbone interact. energy: 0.027 local terms energy: -699.805038 where: bonds (distance) C4'-P energy: -112.258 bonds (distance) P-C4' energy: -121.130 flat angles C4'-P-C4' energy: -148.026 flat angles P-C4'-P energy: -93.822 tors. eta vs tors. theta energy: -224.568 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: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2296.256324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.256324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.256324 (E_RNA) where: Base-Base interactions energy: -1643.913 where: short stacking energy: -651.523 Base-Backbone interact. energy: -0.231 local terms energy: -652.111676 where: bonds (distance) C4'-P energy: -114.495 bonds (distance) P-C4' energy: -100.753 flat angles C4'-P-C4' energy: -137.420 flat angles P-C4'-P energy: -95.862 tors. eta vs tors. theta energy: -203.581 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: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1949.698211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.698211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.698211 (E_RNA) where: Base-Base interactions energy: -1354.202 where: short stacking energy: -561.998 Base-Backbone interact. energy: 0.093 local terms energy: -595.589476 where: bonds (distance) C4'-P energy: -90.578 bonds (distance) P-C4' energy: -126.253 flat angles C4'-P-C4' energy: -126.015 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -163.715 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: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1579.365471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.365471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.365471 (E_RNA) where: Base-Base interactions energy: -1085.312 where: short stacking energy: -451.148 Base-Backbone interact. energy: -3.688 local terms energy: -490.365324 where: bonds (distance) C4'-P energy: -93.587 bonds (distance) P-C4' energy: -114.649 flat angles C4'-P-C4' energy: -116.592 flat angles P-C4'-P energy: -73.946 tors. eta vs tors. theta energy: -91.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1515.453449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.453449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.453449 (E_RNA) where: Base-Base interactions energy: -987.847 where: short stacking energy: -439.791 Base-Backbone interact. energy: 1.710 local terms energy: -529.317005 where: bonds (distance) C4'-P energy: -115.204 bonds (distance) P-C4' energy: -111.863 flat angles C4'-P-C4' energy: -118.532 flat angles P-C4'-P energy: -86.893 tors. eta vs tors. theta energy: -96.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1212.257370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.257370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.257370 (E_RNA) where: Base-Base interactions energy: -783.154 where: short stacking energy: -331.805 Base-Backbone interact. energy: -1.221 local terms energy: -427.882192 where: bonds (distance) C4'-P energy: -88.225 bonds (distance) P-C4' energy: -105.567 flat angles C4'-P-C4' energy: -110.286 flat angles P-C4'-P energy: -68.687 tors. eta vs tors. theta energy: -55.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2687.234268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.234268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.234268 (E_RNA) where: Base-Base interactions energy: -1914.689 where: short stacking energy: -787.064 Base-Backbone interact. energy: -1.773 local terms energy: -770.771629 where: bonds (distance) C4'-P energy: -137.372 bonds (distance) P-C4' energy: -130.210 flat angles C4'-P-C4' energy: -163.095 flat angles P-C4'-P energy: -98.732 tors. eta vs tors. theta energy: -241.362 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: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2591.024022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.024022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.024022 (E_RNA) where: Base-Base interactions energy: -1841.440 where: short stacking energy: -755.646 Base-Backbone interact. energy: -1.280 local terms energy: -748.303686 where: bonds (distance) C4'-P energy: -117.833 bonds (distance) P-C4' energy: -135.857 flat angles C4'-P-C4' energy: -151.994 flat angles P-C4'-P energy: -105.845 tors. eta vs tors. theta energy: -236.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2516.906941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.906941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.906941 (E_RNA) where: Base-Base interactions energy: -1786.134 where: short stacking energy: -750.626 Base-Backbone interact. energy: -0.512 local terms energy: -730.260710 where: bonds (distance) C4'-P energy: -123.181 bonds (distance) P-C4' energy: -113.452 flat angles C4'-P-C4' energy: -158.148 flat angles P-C4'-P energy: -105.126 tors. eta vs tors. theta energy: -230.353 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: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2465.196206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.196206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.196206 (E_RNA) where: Base-Base interactions energy: -1775.141 where: short stacking energy: -692.029 Base-Backbone interact. energy: 0.951 local terms energy: -691.005601 where: bonds (distance) C4'-P energy: -109.206 bonds (distance) P-C4' energy: -113.388 flat angles C4'-P-C4' energy: -153.386 flat angles P-C4'-P energy: -112.785 tors. eta vs tors. theta energy: -202.240 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: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2390.988018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.988018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.988018 (E_RNA) where: Base-Base interactions energy: -1670.716 where: short stacking energy: -679.237 Base-Backbone interact. energy: -0.370 local terms energy: -719.902476 where: bonds (distance) C4'-P energy: -121.821 bonds (distance) P-C4' energy: -128.926 flat angles C4'-P-C4' energy: -159.335 flat angles P-C4'-P energy: -90.772 tors. eta vs tors. theta energy: -219.048 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: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2346.223217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.223217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.223217 (E_RNA) where: Base-Base interactions energy: -1691.326 where: short stacking energy: -690.218 Base-Backbone interact. energy: 1.047 local terms energy: -655.945018 where: bonds (distance) C4'-P energy: -105.892 bonds (distance) P-C4' energy: -104.636 flat angles C4'-P-C4' energy: -146.014 flat angles P-C4'-P energy: -91.604 tors. eta vs tors. theta energy: -207.799 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: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1961.152224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.152224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.152224 (E_RNA) where: Base-Base interactions energy: -1375.946 where: short stacking energy: -572.868 Base-Backbone interact. energy: -1.863 local terms energy: -583.343039 where: bonds (distance) C4'-P energy: -84.377 bonds (distance) P-C4' energy: -118.755 flat angles C4'-P-C4' energy: -125.658 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -165.952 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: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1600.794021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.794021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.794021 (E_RNA) where: Base-Base interactions energy: -1047.768 where: short stacking energy: -444.567 Base-Backbone interact. energy: 2.613 local terms energy: -555.638734 where: bonds (distance) C4'-P energy: -114.321 bonds (distance) P-C4' energy: -117.021 flat angles C4'-P-C4' energy: -125.174 flat angles P-C4'-P energy: -85.629 tors. eta vs tors. theta energy: -113.494 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: 297 Temperature: 1.300000 Total energy: -1545.165932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.165932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.165932 (E_RNA) where: Base-Base interactions energy: -1029.475 where: short stacking energy: -442.806 Base-Backbone interact. energy: -5.226 local terms energy: -510.465154 where: bonds (distance) C4'-P energy: -110.353 bonds (distance) P-C4' energy: -104.758 flat angles C4'-P-C4' energy: -119.934 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: -103.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1235.100477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.100477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.100477 (E_RNA) where: Base-Base interactions energy: -763.388 where: short stacking energy: -345.619 Base-Backbone interact. energy: 4.081 local terms energy: -475.793742 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -105.970 flat angles C4'-P-C4' energy: -115.779 flat angles P-C4'-P energy: -77.257 tors. eta vs tors. theta energy: -63.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2700.108163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.108163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.108163 (E_RNA) where: Base-Base interactions energy: -1929.190 where: short stacking energy: -777.047 Base-Backbone interact. energy: -1.011 local terms energy: -769.906418 where: bonds (distance) C4'-P energy: -128.342 bonds (distance) P-C4' energy: -131.072 flat angles C4'-P-C4' energy: -164.834 flat angles P-C4'-P energy: -104.533 tors. eta vs tors. theta energy: -241.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2607.172035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.172035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.172035 (E_RNA) where: Base-Base interactions energy: -1845.645 where: short stacking energy: -775.474 Base-Backbone interact. energy: 0.486 local terms energy: -762.012746 where: bonds (distance) C4'-P energy: -120.347 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -168.685 flat angles P-C4'-P energy: -106.144 tors. eta vs tors. theta energy: -242.761 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: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2538.845637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.845637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.845637 (E_RNA) where: Base-Base interactions energy: -1807.704 where: short stacking energy: -743.795 Base-Backbone interact. energy: -0.916 local terms energy: -730.225904 where: bonds (distance) C4'-P energy: -119.067 bonds (distance) P-C4' energy: -117.438 flat angles C4'-P-C4' energy: -153.295 flat angles P-C4'-P energy: -110.404 tors. eta vs tors. theta energy: -230.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2517.627629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.627629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.627629 (E_RNA) where: Base-Base interactions energy: -1793.076 where: short stacking energy: -705.798 Base-Backbone interact. energy: -0.997 local terms energy: -723.554635 where: bonds (distance) C4'-P energy: -121.306 bonds (distance) P-C4' energy: -143.360 flat angles C4'-P-C4' energy: -153.008 flat angles P-C4'-P energy: -101.034 tors. eta vs tors. theta energy: -204.846 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: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2413.778127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.778127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.778127 (E_RNA) where: Base-Base interactions energy: -1727.517 where: short stacking energy: -705.142 Base-Backbone interact. energy: -1.156 local terms energy: -685.105252 where: bonds (distance) C4'-P energy: -114.659 bonds (distance) P-C4' energy: -117.391 flat angles C4'-P-C4' energy: -144.022 flat angles P-C4'-P energy: -93.742 tors. eta vs tors. theta energy: -215.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2351.177510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.177510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.177510 (E_RNA) where: Base-Base interactions energy: -1672.203 where: short stacking energy: -683.363 Base-Backbone interact. energy: -1.785 local terms energy: -677.189736 where: bonds (distance) C4'-P energy: -104.913 bonds (distance) P-C4' energy: -117.700 flat angles C4'-P-C4' energy: -141.866 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -203.687 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: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2005.535180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.535180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.535180 (E_RNA) where: Base-Base interactions energy: -1428.380 where: short stacking energy: -598.130 Base-Backbone interact. energy: -1.271 local terms energy: -575.884499 where: bonds (distance) C4'-P energy: -92.040 bonds (distance) P-C4' energy: -105.556 flat angles C4'-P-C4' energy: -137.493 flat angles P-C4'-P energy: -80.248 tors. eta vs tors. theta energy: -160.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1656.168275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.168275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.168275 (E_RNA) where: Base-Base interactions energy: -1128.935 where: short stacking energy: -490.711 Base-Backbone interact. energy: 0.452 local terms energy: -527.685693 where: bonds (distance) C4'-P energy: -100.260 bonds (distance) P-C4' energy: -105.956 flat angles C4'-P-C4' energy: -123.673 flat angles P-C4'-P energy: -75.683 tors. eta vs tors. theta energy: -122.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1450.138283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.138283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.138283 (E_RNA) where: Base-Base interactions energy: -936.682 where: short stacking energy: -399.081 Base-Backbone interact. energy: 0.224 local terms energy: -513.679521 where: bonds (distance) C4'-P energy: -122.357 bonds (distance) P-C4' energy: -107.363 flat angles C4'-P-C4' energy: -122.826 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -92.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1169.554006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.554006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.554006 (E_RNA) where: Base-Base interactions energy: -712.802 where: short stacking energy: -301.531 Base-Backbone interact. energy: 1.752 local terms energy: -458.504504 where: bonds (distance) C4'-P energy: -132.382 bonds (distance) P-C4' energy: -122.457 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -63.781 tors. eta vs tors. theta energy: -47.619 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: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2699.641356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.641356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.641356 (E_RNA) where: Base-Base interactions energy: -1933.866 where: short stacking energy: -791.295 Base-Backbone interact. energy: -2.830 local terms energy: -762.945177 where: bonds (distance) C4'-P energy: -118.254 bonds (distance) P-C4' energy: -141.279 flat angles C4'-P-C4' energy: -157.427 flat angles P-C4'-P energy: -106.958 tors. eta vs tors. theta energy: -239.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2614.623285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.623285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.623285 (E_RNA) where: Base-Base interactions energy: -1823.627 where: short stacking energy: -760.186 Base-Backbone interact. energy: -1.651 local terms energy: -789.344482 where: bonds (distance) C4'-P energy: -132.395 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -168.859 flat angles P-C4'-P energy: -113.456 tors. eta vs tors. theta energy: -244.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2532.000524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.000524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.000524 (E_RNA) where: Base-Base interactions energy: -1809.701 where: short stacking energy: -740.491 Base-Backbone interact. energy: -1.567 local terms energy: -720.732052 where: bonds (distance) C4'-P energy: -125.968 bonds (distance) P-C4' energy: -106.542 flat angles C4'-P-C4' energy: -157.987 flat angles P-C4'-P energy: -106.242 tors. eta vs tors. theta energy: -223.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2479.890669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.890669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.890669 (E_RNA) where: Base-Base interactions energy: -1778.715 where: short stacking energy: -684.887 Base-Backbone interact. energy: -0.811 local terms energy: -700.364566 where: bonds (distance) C4'-P energy: -119.632 bonds (distance) P-C4' energy: -122.802 flat angles C4'-P-C4' energy: -144.064 flat angles P-C4'-P energy: -99.598 tors. eta vs tors. theta energy: -214.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2388.798620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.798620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.798620 (E_RNA) where: Base-Base interactions energy: -1703.869 where: short stacking energy: -716.103 Base-Backbone interact. energy: 0.590 local terms energy: -685.519869 where: bonds (distance) C4'-P energy: -102.883 bonds (distance) P-C4' energy: -134.172 flat angles C4'-P-C4' energy: -146.012 flat angles P-C4'-P energy: -93.115 tors. eta vs tors. theta energy: -209.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2298.645577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.645577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.645577 (E_RNA) where: Base-Base interactions energy: -1633.516 where: short stacking energy: -672.372 Base-Backbone interact. energy: 3.807 local terms energy: -668.937192 where: bonds (distance) C4'-P energy: -116.069 bonds (distance) P-C4' energy: -123.992 flat angles C4'-P-C4' energy: -131.198 flat angles P-C4'-P energy: -85.744 tors. eta vs tors. theta energy: -211.935 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: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2107.151723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.151723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.151723 (E_RNA) where: Base-Base interactions energy: -1478.510 where: short stacking energy: -589.361 Base-Backbone interact. energy: -1.968 local terms energy: -626.674513 where: bonds (distance) C4'-P energy: -107.409 bonds (distance) P-C4' energy: -121.652 flat angles C4'-P-C4' energy: -140.170 flat angles P-C4'-P energy: -83.863 tors. eta vs tors. theta energy: -173.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1624.594723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.594723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.594723 (E_RNA) where: Base-Base interactions energy: -1099.698 where: short stacking energy: -472.026 Base-Backbone interact. energy: -3.506 local terms energy: -521.390353 where: bonds (distance) C4'-P energy: -99.579 bonds (distance) P-C4' energy: -115.885 flat angles C4'-P-C4' energy: -126.218 flat angles P-C4'-P energy: -66.648 tors. eta vs tors. theta energy: -113.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1452.070228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.070228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.070228 (E_RNA) where: Base-Base interactions energy: -948.050 where: short stacking energy: -391.015 Base-Backbone interact. energy: -1.832 local terms energy: -502.188331 where: bonds (distance) C4'-P energy: -105.870 bonds (distance) P-C4' energy: -111.783 flat angles C4'-P-C4' energy: -126.485 flat angles P-C4'-P energy: -68.190 tors. eta vs tors. theta energy: -89.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1165.571263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.571263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.571263 (E_RNA) where: Base-Base interactions energy: -728.854 where: short stacking energy: -319.202 Base-Backbone interact. energy: -2.449 local terms energy: -434.268111 where: bonds (distance) C4'-P energy: -105.966 bonds (distance) P-C4' energy: -105.809 flat angles C4'-P-C4' energy: -103.898 flat angles P-C4'-P energy: -65.278 tors. eta vs tors. theta energy: -53.317 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: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2672.909536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.909536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.909536 (E_RNA) where: Base-Base interactions energy: -1896.535 where: short stacking energy: -790.109 Base-Backbone interact. energy: 0.286 local terms energy: -776.660590 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -135.878 flat angles C4'-P-C4' energy: -168.857 flat angles P-C4'-P energy: -103.609 tors. eta vs tors. theta energy: -246.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2631.401254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.401254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.401254 (E_RNA) where: Base-Base interactions energy: -1875.360 where: short stacking energy: -763.597 Base-Backbone interact. energy: -1.784 local terms energy: -754.257079 where: bonds (distance) C4'-P energy: -128.194 bonds (distance) P-C4' energy: -126.854 flat angles C4'-P-C4' energy: -156.461 flat angles P-C4'-P energy: -106.098 tors. eta vs tors. theta energy: -236.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2551.087756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.087756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.087756 (E_RNA) where: Base-Base interactions energy: -1815.343 where: short stacking energy: -742.758 Base-Backbone interact. energy: -0.963 local terms energy: -734.781701 where: bonds (distance) C4'-P energy: -130.918 bonds (distance) P-C4' energy: -113.006 flat angles C4'-P-C4' energy: -157.562 flat angles P-C4'-P energy: -98.415 tors. eta vs tors. theta energy: -234.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2479.810431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.810431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.810431 (E_RNA) where: Base-Base interactions energy: -1798.456 where: short stacking energy: -695.550 Base-Backbone interact. energy: -2.705 local terms energy: -678.649763 where: bonds (distance) C4'-P energy: -125.374 bonds (distance) P-C4' energy: -102.755 flat angles C4'-P-C4' energy: -152.708 flat angles P-C4'-P energy: -100.482 tors. eta vs tors. theta energy: -197.331 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: 300 Temperature: 1.100000 Total energy: -2383.457514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.457514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.457514 (E_RNA) where: Base-Base interactions energy: -1657.554 where: short stacking energy: -678.385 Base-Backbone interact. energy: -0.727 local terms energy: -725.177199 where: bonds (distance) C4'-P energy: -119.950 bonds (distance) P-C4' energy: -123.233 flat angles C4'-P-C4' energy: -156.540 flat angles P-C4'-P energy: -111.987 tors. eta vs tors. theta energy: -213.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2283.300358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.300358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.300358 (E_RNA) where: Base-Base interactions energy: -1626.570 where: short stacking energy: -663.382 Base-Backbone interact. energy: 0.202 local terms energy: -656.932794 where: bonds (distance) C4'-P energy: -91.979 bonds (distance) P-C4' energy: -127.833 flat angles C4'-P-C4' energy: -134.795 flat angles P-C4'-P energy: -96.461 tors. eta vs tors. theta energy: -205.865 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: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2146.130062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.130062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.130062 (E_RNA) where: Base-Base interactions energy: -1506.261 where: short stacking energy: -605.336 Base-Backbone interact. energy: -2.426 local terms energy: -637.443853 where: bonds (distance) C4'-P energy: -116.277 bonds (distance) P-C4' energy: -120.112 flat angles C4'-P-C4' energy: -132.457 flat angles P-C4'-P energy: -82.568 tors. eta vs tors. theta energy: -186.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1559.235254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.235254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.235254 (E_RNA) where: Base-Base interactions energy: -1052.963 where: short stacking energy: -446.975 Base-Backbone interact. energy: -4.245 local terms energy: -502.027811 where: bonds (distance) C4'-P energy: -112.784 bonds (distance) P-C4' energy: -98.227 flat angles C4'-P-C4' energy: -112.694 flat angles P-C4'-P energy: -68.482 tors. eta vs tors. theta energy: -109.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1426.684108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.684108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.684108 (E_RNA) where: Base-Base interactions energy: -972.241 where: short stacking energy: -406.830 Base-Backbone interact. energy: -3.198 local terms energy: -451.244526 where: bonds (distance) C4'-P energy: -116.142 bonds (distance) P-C4' energy: -93.287 flat angles C4'-P-C4' energy: -111.128 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -65.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1207.498789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.498789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.498789 (E_RNA) where: Base-Base interactions energy: -802.219 where: short stacking energy: -353.971 Base-Backbone interact. energy: 0.126 local terms energy: -405.405350 where: bonds (distance) C4'-P energy: -87.593 bonds (distance) P-C4' energy: -121.763 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -49.788 tors. eta vs tors. theta energy: -50.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2683.704786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.704786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.704786 (E_RNA) where: Base-Base interactions energy: -1897.067 where: short stacking energy: -793.266 Base-Backbone interact. energy: -1.225 local terms energy: -785.412527 where: bonds (distance) C4'-P energy: -151.095 bonds (distance) P-C4' energy: -132.187 flat angles C4'-P-C4' energy: -161.184 flat angles P-C4'-P energy: -101.623 tors. eta vs tors. theta energy: -239.323 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2596.137016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.137016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.137016 (E_RNA) where: Base-Base interactions energy: -1805.942 where: short stacking energy: -747.130 Base-Backbone interact. energy: -1.393 local terms energy: -788.802840 where: bonds (distance) C4'-P energy: -139.948 bonds (distance) P-C4' energy: -141.525 flat angles C4'-P-C4' energy: -160.242 flat angles P-C4'-P energy: -112.628 tors. eta vs tors. theta energy: -234.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2556.064452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.064452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.064452 (E_RNA) where: Base-Base interactions energy: -1809.178 where: short stacking energy: -730.170 Base-Backbone interact. energy: -0.708 local terms energy: -746.178474 where: bonds (distance) C4'-P energy: -129.464 bonds (distance) P-C4' energy: -136.653 flat angles C4'-P-C4' energy: -151.583 flat angles P-C4'-P energy: -93.823 tors. eta vs tors. theta energy: -234.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2504.112459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.112459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.112459 (E_RNA) where: Base-Base interactions energy: -1794.037 where: short stacking energy: -704.761 Base-Backbone interact. energy: 0.100 local terms energy: -710.174962 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -127.531 flat angles C4'-P-C4' energy: -152.846 flat angles P-C4'-P energy: -99.306 tors. eta vs tors. theta energy: -209.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2378.496308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.496308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.496308 (E_RNA) where: Base-Base interactions energy: -1706.796 where: short stacking energy: -664.005 Base-Backbone interact. energy: -1.923 local terms energy: -669.777308 where: bonds (distance) C4'-P energy: -112.664 bonds (distance) P-C4' energy: -119.523 flat angles C4'-P-C4' energy: -144.204 flat angles P-C4'-P energy: -102.789 tors. eta vs tors. theta energy: -190.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2292.854764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.854764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.854764 (E_RNA) where: Base-Base interactions energy: -1589.297 where: short stacking energy: -639.694 Base-Backbone interact. energy: -1.092 local terms energy: -702.465183 where: bonds (distance) C4'-P energy: -113.412 bonds (distance) P-C4' energy: -139.012 flat angles C4'-P-C4' energy: -146.367 flat angles P-C4'-P energy: -89.805 tors. eta vs tors. theta energy: -213.869 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: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2168.285408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.285408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.285408 (E_RNA) where: Base-Base interactions energy: -1531.024 where: short stacking energy: -608.814 Base-Backbone interact. energy: -1.623 local terms energy: -635.638704 where: bonds (distance) C4'-P energy: -110.547 bonds (distance) P-C4' energy: -119.686 flat angles C4'-P-C4' energy: -140.395 flat angles P-C4'-P energy: -81.902 tors. eta vs tors. theta energy: -183.109 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: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1493.431929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.431929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.431929 (E_RNA) where: Base-Base interactions energy: -1014.248 where: short stacking energy: -472.971 Base-Backbone interact. energy: -0.978 local terms energy: -478.205287 where: bonds (distance) C4'-P energy: -97.192 bonds (distance) P-C4' energy: -86.713 flat angles C4'-P-C4' energy: -116.860 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -92.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1469.691814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.691814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.691814 (E_RNA) where: Base-Base interactions energy: -963.292 where: short stacking energy: -401.180 Base-Backbone interact. energy: 0.442 local terms energy: -506.841384 where: bonds (distance) C4'-P energy: -98.708 bonds (distance) P-C4' energy: -140.050 flat angles C4'-P-C4' energy: -101.808 flat angles P-C4'-P energy: -79.283 tors. eta vs tors. theta energy: -86.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1183.447822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.447822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.447822 (E_RNA) where: Base-Base interactions energy: -735.286 where: short stacking energy: -330.629 Base-Backbone interact. energy: 0.216 local terms energy: -448.378247 where: bonds (distance) C4'-P energy: -118.410 bonds (distance) P-C4' energy: -109.572 flat angles C4'-P-C4' energy: -109.499 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -47.966 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: 302 Temperature: 0.900000 Total energy: -2683.918520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.918520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.918520 (E_RNA) where: Base-Base interactions energy: -1897.213 where: short stacking energy: -788.415 Base-Backbone interact. energy: 2.135 local terms energy: -788.840550 where: bonds (distance) C4'-P energy: -133.113 bonds (distance) P-C4' energy: -136.254 flat angles C4'-P-C4' energy: -163.884 flat angles P-C4'-P energy: -115.453 tors. eta vs tors. theta energy: -240.136 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: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2602.187945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.187945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.187945 (E_RNA) where: Base-Base interactions energy: -1812.944 where: short stacking energy: -772.344 Base-Backbone interact. energy: -1.661 local terms energy: -787.582420 where: bonds (distance) C4'-P energy: -123.790 bonds (distance) P-C4' energy: -136.702 flat angles C4'-P-C4' energy: -163.902 flat angles P-C4'-P energy: -112.668 tors. eta vs tors. theta energy: -250.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2523.742244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.742244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.742244 (E_RNA) where: Base-Base interactions energy: -1780.224 where: short stacking energy: -729.282 Base-Backbone interact. energy: -3.233 local terms energy: -740.284983 where: bonds (distance) C4'-P energy: -128.120 bonds (distance) P-C4' energy: -131.914 flat angles C4'-P-C4' energy: -151.791 flat angles P-C4'-P energy: -97.046 tors. eta vs tors. theta energy: -231.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2490.844025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.844025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.844025 (E_RNA) where: Base-Base interactions energy: -1793.180 where: short stacking energy: -702.000 Base-Backbone interact. energy: -1.893 local terms energy: -695.770856 where: bonds (distance) C4'-P energy: -121.737 bonds (distance) P-C4' energy: -120.614 flat angles C4'-P-C4' energy: -152.504 flat angles P-C4'-P energy: -99.328 tors. eta vs tors. theta energy: -201.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2392.722019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.722019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.722019 (E_RNA) where: Base-Base interactions energy: -1708.559 where: short stacking energy: -680.882 Base-Backbone interact. energy: -3.412 local terms energy: -680.750966 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -115.251 flat angles C4'-P-C4' energy: -153.399 flat angles P-C4'-P energy: -102.312 tors. eta vs tors. theta energy: -198.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2307.099208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.099208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.099208 (E_RNA) where: Base-Base interactions energy: -1614.279 where: short stacking energy: -647.901 Base-Backbone interact. energy: -2.566 local terms energy: -690.254014 where: bonds (distance) C4'-P energy: -124.861 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -147.158 flat angles P-C4'-P energy: -101.035 tors. eta vs tors. theta energy: -209.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2182.170109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.170109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.170109 (E_RNA) where: Base-Base interactions energy: -1587.466 where: short stacking energy: -619.795 Base-Backbone interact. energy: -1.794 local terms energy: -592.910071 where: bonds (distance) C4'-P energy: -110.650 bonds (distance) P-C4' energy: -118.971 flat angles C4'-P-C4' energy: -111.605 flat angles P-C4'-P energy: -69.256 tors. eta vs tors. theta energy: -182.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1548.316606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.316606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.316606 (E_RNA) where: Base-Base interactions energy: -1026.339 where: short stacking energy: -433.642 Base-Backbone interact. energy: -2.372 local terms energy: -519.604751 where: bonds (distance) C4'-P energy: -121.808 bonds (distance) P-C4' energy: -125.273 flat angles C4'-P-C4' energy: -101.474 flat angles P-C4'-P energy: -72.173 tors. eta vs tors. theta energy: -98.877 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: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1409.112348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.112348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.112348 (E_RNA) where: Base-Base interactions energy: -950.711 where: short stacking energy: -423.709 Base-Backbone interact. energy: -3.099 local terms energy: -455.302425 where: bonds (distance) C4'-P energy: -87.148 bonds (distance) P-C4' energy: -118.103 flat angles C4'-P-C4' energy: -107.531 flat angles P-C4'-P energy: -74.922 tors. eta vs tors. theta energy: -67.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1143.399803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.399803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.399803 (E_RNA) where: Base-Base interactions energy: -746.308 where: short stacking energy: -312.461 Base-Backbone interact. energy: 1.737 local terms energy: -398.828873 where: bonds (distance) C4'-P energy: -74.892 bonds (distance) P-C4' energy: -108.801 flat angles C4'-P-C4' energy: -88.828 flat angles P-C4'-P energy: -81.662 tors. eta vs tors. theta energy: -44.646 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: 8 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2674.010749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.010749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.010749 (E_RNA) where: Base-Base interactions energy: -1911.728 where: short stacking energy: -765.694 Base-Backbone interact. energy: -0.442 local terms energy: -761.840878 where: bonds (distance) C4'-P energy: -138.847 bonds (distance) P-C4' energy: -128.171 flat angles C4'-P-C4' energy: -157.047 flat angles P-C4'-P energy: -104.266 tors. eta vs tors. theta energy: -233.510 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: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2593.438920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.438920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.438920 (E_RNA) where: Base-Base interactions energy: -1818.080 where: short stacking energy: -747.166 Base-Backbone interact. energy: -1.104 local terms energy: -774.254583 where: bonds (distance) C4'-P energy: -144.840 bonds (distance) P-C4' energy: -122.641 flat angles C4'-P-C4' energy: -157.554 flat angles P-C4'-P energy: -105.899 tors. eta vs tors. theta energy: -243.320 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: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2535.788138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.788138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.788138 (E_RNA) where: Base-Base interactions energy: -1815.368 where: short stacking energy: -737.682 Base-Backbone interact. energy: -3.848 local terms energy: -716.571400 where: bonds (distance) C4'-P energy: -113.238 bonds (distance) P-C4' energy: -129.472 flat angles C4'-P-C4' energy: -145.693 flat angles P-C4'-P energy: -99.374 tors. eta vs tors. theta energy: -228.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2503.370107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.370107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.370107 (E_RNA) where: Base-Base interactions energy: -1809.726 where: short stacking energy: -693.086 Base-Backbone interact. energy: -3.263 local terms energy: -690.382094 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -130.387 flat angles C4'-P-C4' energy: -144.707 flat angles P-C4'-P energy: -98.723 tors. eta vs tors. theta energy: -205.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2410.202700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.202700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.202700 (E_RNA) where: Base-Base interactions energy: -1722.725 where: short stacking energy: -699.107 Base-Backbone interact. energy: -0.581 local terms energy: -686.897303 where: bonds (distance) C4'-P energy: -116.974 bonds (distance) P-C4' energy: -118.150 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -90.856 tors. eta vs tors. theta energy: -210.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2291.567782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.567782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.567782 (E_RNA) where: Base-Base interactions energy: -1658.634 where: short stacking energy: -682.998 Base-Backbone interact. energy: -3.081 local terms energy: -629.852699 where: bonds (distance) C4'-P energy: -103.127 bonds (distance) P-C4' energy: -106.161 flat angles C4'-P-C4' energy: -135.369 flat angles P-C4'-P energy: -80.343 tors. eta vs tors. theta energy: -204.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2246.188500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.188500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.188500 (E_RNA) where: Base-Base interactions energy: -1601.976 where: short stacking energy: -644.214 Base-Backbone interact. energy: -1.907 local terms energy: -642.306229 where: bonds (distance) C4'-P energy: -100.060 bonds (distance) P-C4' energy: -120.176 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -86.281 tors. eta vs tors. theta energy: -203.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1506.753658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.753658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.753658 (E_RNA) where: Base-Base interactions energy: -969.529 where: short stacking energy: -427.622 Base-Backbone interact. energy: -0.898 local terms energy: -536.327606 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -125.361 flat angles C4'-P-C4' energy: -118.901 flat angles P-C4'-P energy: -82.134 tors. eta vs tors. theta energy: -89.851 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: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1486.472202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.472202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.472202 (E_RNA) where: Base-Base interactions energy: -998.753 where: short stacking energy: -444.517 Base-Backbone interact. energy: -4.630 local terms energy: -483.089232 where: bonds (distance) C4'-P energy: -103.400 bonds (distance) P-C4' energy: -99.510 flat angles C4'-P-C4' energy: -108.071 flat angles P-C4'-P energy: -75.849 tors. eta vs tors. theta energy: -96.260 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: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1085.950730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.950730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.950730 (E_RNA) where: Base-Base interactions energy: -680.057 where: short stacking energy: -297.216 Base-Backbone interact. energy: 0.462 local terms energy: -406.355677 where: bonds (distance) C4'-P energy: -114.914 bonds (distance) P-C4' energy: -100.619 flat angles C4'-P-C4' energy: -114.222 flat angles P-C4'-P energy: -57.690 tors. eta vs tors. theta energy: -18.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2643.228843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.228843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.228843 (E_RNA) where: Base-Base interactions energy: -1872.895 where: short stacking energy: -772.905 Base-Backbone interact. energy: -4.041 local terms energy: -766.292990 where: bonds (distance) C4'-P energy: -115.948 bonds (distance) P-C4' energy: -135.333 flat angles C4'-P-C4' energy: -164.667 flat angles P-C4'-P energy: -113.999 tors. eta vs tors. theta energy: -236.346 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: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2642.760154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.760154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.760154 (E_RNA) where: Base-Base interactions energy: -1900.502 where: short stacking energy: -778.248 Base-Backbone interact. energy: -0.843 local terms energy: -741.414937 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -118.213 flat angles C4'-P-C4' energy: -159.226 flat angles P-C4'-P energy: -100.334 tors. eta vs tors. theta energy: -238.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2549.918186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.918186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.918186 (E_RNA) where: Base-Base interactions energy: -1823.885 where: short stacking energy: -749.157 Base-Backbone interact. energy: -1.811 local terms energy: -724.221646 where: bonds (distance) C4'-P energy: -116.755 bonds (distance) P-C4' energy: -132.051 flat angles C4'-P-C4' energy: -145.231 flat angles P-C4'-P energy: -96.893 tors. eta vs tors. theta energy: -233.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2491.570421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.570421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.570421 (E_RNA) where: Base-Base interactions energy: -1792.357 where: short stacking energy: -689.770 Base-Backbone interact. energy: -2.070 local terms energy: -697.143748 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -126.115 flat angles C4'-P-C4' energy: -143.558 flat angles P-C4'-P energy: -101.216 tors. eta vs tors. theta energy: -204.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2369.275729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.275729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.275729 (E_RNA) where: Base-Base interactions energy: -1687.309 where: short stacking energy: -704.667 Base-Backbone interact. energy: -1.612 local terms energy: -680.355068 where: bonds (distance) C4'-P energy: -126.261 bonds (distance) P-C4' energy: -102.942 flat angles C4'-P-C4' energy: -143.222 flat angles P-C4'-P energy: -93.566 tors. eta vs tors. theta energy: -214.365 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: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2259.855534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.855534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.855534 (E_RNA) where: Base-Base interactions energy: -1607.256 where: short stacking energy: -662.092 Base-Backbone interact. energy: 0.404 local terms energy: -653.003617 where: bonds (distance) C4'-P energy: -109.861 bonds (distance) P-C4' energy: -105.223 flat angles C4'-P-C4' energy: -137.264 flat angles P-C4'-P energy: -93.569 tors. eta vs tors. theta energy: -207.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2250.047038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.047038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.047038 (E_RNA) where: Base-Base interactions energy: -1582.207 where: short stacking energy: -626.512 Base-Backbone interact. energy: -0.511 local terms energy: -667.328749 where: bonds (distance) C4'-P energy: -103.893 bonds (distance) P-C4' energy: -109.800 flat angles C4'-P-C4' energy: -148.262 flat angles P-C4'-P energy: -95.259 tors. eta vs tors. theta energy: -210.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1581.636223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.636223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.636223 (E_RNA) where: Base-Base interactions energy: -1028.765 where: short stacking energy: -453.626 Base-Backbone interact. energy: -2.196 local terms energy: -550.675288 where: bonds (distance) C4'-P energy: -113.054 bonds (distance) P-C4' energy: -127.887 flat angles C4'-P-C4' energy: -116.912 flat angles P-C4'-P energy: -83.306 tors. eta vs tors. theta energy: -109.516 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: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1514.945797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.945797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.945797 (E_RNA) where: Base-Base interactions energy: -1033.449 where: short stacking energy: -415.238 Base-Backbone interact. energy: 0.029 local terms energy: -481.525633 where: bonds (distance) C4'-P energy: -123.901 bonds (distance) P-C4' energy: -94.650 flat angles C4'-P-C4' energy: -102.268 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -97.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1166.550269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.550269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.550269 (E_RNA) where: Base-Base interactions energy: -730.174 where: short stacking energy: -316.564 Base-Backbone interact. energy: 0.211 local terms energy: -436.587846 where: bonds (distance) C4'-P energy: -105.412 bonds (distance) P-C4' energy: -110.197 flat angles C4'-P-C4' energy: -106.998 flat angles P-C4'-P energy: -63.468 tors. eta vs tors. theta energy: -50.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2633.328307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.328307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.328307 (E_RNA) where: Base-Base interactions energy: -1831.432 where: short stacking energy: -775.064 Base-Backbone interact. energy: -1.556 local terms energy: -800.339909 where: bonds (distance) C4'-P energy: -122.427 bonds (distance) P-C4' energy: -147.177 flat angles C4'-P-C4' energy: -167.831 flat angles P-C4'-P energy: -117.450 tors. eta vs tors. theta energy: -245.455 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: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2649.959857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.959857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.959857 (E_RNA) where: Base-Base interactions energy: -1879.556 where: short stacking energy: -748.895 Base-Backbone interact. energy: -0.658 local terms energy: -769.745825 where: bonds (distance) C4'-P energy: -132.012 bonds (distance) P-C4' energy: -145.381 flat angles C4'-P-C4' energy: -147.982 flat angles P-C4'-P energy: -112.414 tors. eta vs tors. theta energy: -231.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2548.649260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.649260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.649260 (E_RNA) where: Base-Base interactions energy: -1814.337 where: short stacking energy: -757.817 Base-Backbone interact. energy: -3.218 local terms energy: -731.094398 where: bonds (distance) C4'-P energy: -133.796 bonds (distance) P-C4' energy: -112.323 flat angles C4'-P-C4' energy: -146.600 flat angles P-C4'-P energy: -102.323 tors. eta vs tors. theta energy: -236.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2526.459031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.459031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.459031 (E_RNA) where: Base-Base interactions energy: -1830.472 where: short stacking energy: -728.939 Base-Backbone interact. energy: -3.878 local terms energy: -692.108905 where: bonds (distance) C4'-P energy: -113.018 bonds (distance) P-C4' energy: -119.359 flat angles C4'-P-C4' energy: -150.077 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -206.609 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: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2396.269904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.269904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.269904 (E_RNA) where: Base-Base interactions energy: -1700.467 where: short stacking energy: -703.692 Base-Backbone interact. energy: -1.855 local terms energy: -693.947579 where: bonds (distance) C4'-P energy: -118.126 bonds (distance) P-C4' energy: -111.182 flat angles C4'-P-C4' energy: -146.222 flat angles P-C4'-P energy: -101.508 tors. eta vs tors. theta energy: -216.909 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: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2272.617034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.617034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.617034 (E_RNA) where: Base-Base interactions energy: -1604.360 where: short stacking energy: -675.806 Base-Backbone interact. energy: 0.700 local terms energy: -668.957353 where: bonds (distance) C4'-P energy: -114.269 bonds (distance) P-C4' energy: -107.776 flat angles C4'-P-C4' energy: -149.025 flat angles P-C4'-P energy: -85.630 tors. eta vs tors. theta energy: -212.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2188.481501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.481501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.481501 (E_RNA) where: Base-Base interactions energy: -1564.793 where: short stacking energy: -659.815 Base-Backbone interact. energy: -1.805 local terms energy: -621.882865 where: bonds (distance) C4'-P energy: -112.661 bonds (distance) P-C4' energy: -111.429 flat angles C4'-P-C4' energy: -134.965 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -205.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1638.438336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.438336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.438336 (E_RNA) where: Base-Base interactions energy: -1108.644 where: short stacking energy: -478.860 Base-Backbone interact. energy: 0.724 local terms energy: -530.517813 where: bonds (distance) C4'-P energy: -123.083 bonds (distance) P-C4' energy: -98.754 flat angles C4'-P-C4' energy: -117.515 flat angles P-C4'-P energy: -66.666 tors. eta vs tors. theta energy: -124.500 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: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1479.792998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.792998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.792998 (E_RNA) where: Base-Base interactions energy: -978.904 where: short stacking energy: -424.000 Base-Backbone interact. energy: -5.071 local terms energy: -495.817173 where: bonds (distance) C4'-P energy: -108.366 bonds (distance) P-C4' energy: -117.610 flat angles C4'-P-C4' energy: -101.680 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: -92.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1205.562087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.562087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.562087 (E_RNA) where: Base-Base interactions energy: -798.819 where: short stacking energy: -368.026 Base-Backbone interact. energy: -0.344 local terms energy: -406.399109 where: bonds (distance) C4'-P energy: -81.348 bonds (distance) P-C4' energy: -104.525 flat angles C4'-P-C4' energy: -101.200 flat angles P-C4'-P energy: -52.881 tors. eta vs tors. theta energy: -66.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2678.853103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.853103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.853103 (E_RNA) where: Base-Base interactions energy: -1903.285 where: short stacking energy: -761.377 Base-Backbone interact. energy: 0.392 local terms energy: -775.960627 where: bonds (distance) C4'-P energy: -127.064 bonds (distance) P-C4' energy: -141.641 flat angles C4'-P-C4' energy: -157.144 flat angles P-C4'-P energy: -115.471 tors. eta vs tors. theta energy: -234.641 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: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2599.299119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.299119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.299119 (E_RNA) where: Base-Base interactions energy: -1829.587 where: short stacking energy: -751.038 Base-Backbone interact. energy: -3.116 local terms energy: -766.596884 where: bonds (distance) C4'-P energy: -135.432 bonds (distance) P-C4' energy: -135.733 flat angles C4'-P-C4' energy: -157.516 flat angles P-C4'-P energy: -97.319 tors. eta vs tors. theta energy: -240.598 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: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2539.013261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.013261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.013261 (E_RNA) where: Base-Base interactions energy: -1808.057 where: short stacking energy: -725.104 Base-Backbone interact. energy: 0.597 local terms energy: -731.553857 where: bonds (distance) C4'-P energy: -117.607 bonds (distance) P-C4' energy: -125.920 flat angles C4'-P-C4' energy: -156.923 flat angles P-C4'-P energy: -99.917 tors. eta vs tors. theta energy: -231.187 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: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2494.437857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.437857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.437857 (E_RNA) where: Base-Base interactions energy: -1795.230 where: short stacking energy: -697.346 Base-Backbone interact. energy: 1.287 local terms energy: -700.494861 where: bonds (distance) C4'-P energy: -116.461 bonds (distance) P-C4' energy: -123.975 flat angles C4'-P-C4' energy: -158.407 flat angles P-C4'-P energy: -102.276 tors. eta vs tors. theta energy: -199.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2409.760593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.760593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.760593 (E_RNA) where: Base-Base interactions energy: -1748.351 where: short stacking energy: -696.310 Base-Backbone interact. energy: 0.285 local terms energy: -661.694410 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -134.397 flat angles C4'-P-C4' energy: -145.364 flat angles P-C4'-P energy: -69.727 tors. eta vs tors. theta energy: -202.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2269.720768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.720768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.720768 (E_RNA) where: Base-Base interactions energy: -1599.976 where: short stacking energy: -679.055 Base-Backbone interact. energy: 0.812 local terms energy: -670.556208 where: bonds (distance) C4'-P energy: -114.805 bonds (distance) P-C4' energy: -123.241 flat angles C4'-P-C4' energy: -145.073 flat angles P-C4'-P energy: -79.776 tors. eta vs tors. theta energy: -207.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2166.794087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.794087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.794087 (E_RNA) where: Base-Base interactions energy: -1530.517 where: short stacking energy: -600.706 Base-Backbone interact. energy: -0.869 local terms energy: -635.407748 where: bonds (distance) C4'-P energy: -107.522 bonds (distance) P-C4' energy: -120.388 flat angles C4'-P-C4' energy: -133.165 flat angles P-C4'-P energy: -92.835 tors. eta vs tors. theta energy: -181.498 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: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1617.588749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.588749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.588749 (E_RNA) where: Base-Base interactions energy: -1083.869 where: short stacking energy: -436.858 Base-Backbone interact. energy: -3.130 local terms energy: -530.590262 where: bonds (distance) C4'-P energy: -119.187 bonds (distance) P-C4' energy: -121.452 flat angles C4'-P-C4' energy: -109.064 flat angles P-C4'-P energy: -74.995 tors. eta vs tors. theta energy: -105.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1465.136798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.136798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.136798 (E_RNA) where: Base-Base interactions energy: -999.061 where: short stacking energy: -411.683 Base-Backbone interact. energy: -0.885 local terms energy: -465.191255 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -110.174 flat angles C4'-P-C4' energy: -99.744 flat angles P-C4'-P energy: -82.849 tors. eta vs tors. theta energy: -84.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1188.942651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.942651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.942651 (E_RNA) where: Base-Base interactions energy: -785.102 where: short stacking energy: -327.054 Base-Backbone interact. energy: 8.886 local terms energy: -412.726830 where: bonds (distance) C4'-P energy: -107.212 bonds (distance) P-C4' energy: -125.940 flat angles C4'-P-C4' energy: -94.441 flat angles P-C4'-P energy: -36.840 tors. eta vs tors. theta energy: -48.294 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: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2693.796970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.796970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.796970 (E_RNA) where: Base-Base interactions energy: -1933.620 where: short stacking energy: -778.595 Base-Backbone interact. energy: -3.152 local terms energy: -757.024311 where: bonds (distance) C4'-P energy: -131.210 bonds (distance) P-C4' energy: -133.442 flat angles C4'-P-C4' energy: -153.805 flat angles P-C4'-P energy: -103.404 tors. eta vs tors. theta energy: -235.164 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: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2594.511094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.511094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.511094 (E_RNA) where: Base-Base interactions energy: -1840.653 where: short stacking energy: -763.492 Base-Backbone interact. energy: -2.487 local terms energy: -751.370884 where: bonds (distance) C4'-P energy: -122.357 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -147.835 flat angles P-C4'-P energy: -111.377 tors. eta vs tors. theta energy: -238.568 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: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2556.217483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.217483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.217483 (E_RNA) where: Base-Base interactions energy: -1810.527 where: short stacking energy: -753.357 Base-Backbone interact. energy: 0.288 local terms energy: -745.978660 where: bonds (distance) C4'-P energy: -121.034 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -152.425 flat angles P-C4'-P energy: -100.413 tors. eta vs tors. theta energy: -238.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2472.096800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.096800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.096800 (E_RNA) where: Base-Base interactions energy: -1775.529 where: short stacking energy: -702.009 Base-Backbone interact. energy: 5.801 local terms energy: -702.369088 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -121.318 flat angles C4'-P-C4' energy: -146.592 flat angles P-C4'-P energy: -104.620 tors. eta vs tors. theta energy: -209.749 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: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2429.002448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.002448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.002448 (E_RNA) where: Base-Base interactions energy: -1745.283 where: short stacking energy: -716.556 Base-Backbone interact. energy: 1.492 local terms energy: -685.211822 where: bonds (distance) C4'-P energy: -104.361 bonds (distance) P-C4' energy: -129.408 flat angles C4'-P-C4' energy: -142.526 flat angles P-C4'-P energy: -100.100 tors. eta vs tors. theta energy: -208.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2320.174137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.174137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.174137 (E_RNA) where: Base-Base interactions energy: -1664.196 where: short stacking energy: -665.066 Base-Backbone interact. energy: 2.096 local terms energy: -658.073974 where: bonds (distance) C4'-P energy: -101.731 bonds (distance) P-C4' energy: -116.249 flat angles C4'-P-C4' energy: -151.760 flat angles P-C4'-P energy: -86.960 tors. eta vs tors. theta energy: -201.373 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: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2216.338746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.338746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.338746 (E_RNA) where: Base-Base interactions energy: -1571.383 where: short stacking energy: -649.767 Base-Backbone interact. energy: -0.669 local terms energy: -644.287476 where: bonds (distance) C4'-P energy: -107.272 bonds (distance) P-C4' energy: -112.663 flat angles C4'-P-C4' energy: -128.114 flat angles P-C4'-P energy: -87.293 tors. eta vs tors. theta energy: -208.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1646.307802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.307802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.307802 (E_RNA) where: Base-Base interactions energy: -1086.266 where: short stacking energy: -482.632 Base-Backbone interact. energy: -2.729 local terms energy: -557.313077 where: bonds (distance) C4'-P energy: -100.621 bonds (distance) P-C4' energy: -117.174 flat angles C4'-P-C4' energy: -143.893 flat angles P-C4'-P energy: -76.616 tors. eta vs tors. theta energy: -119.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1474.445881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.445881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.445881 (E_RNA) where: Base-Base interactions energy: -990.600 where: short stacking energy: -433.921 Base-Backbone interact. energy: 4.989 local terms energy: -488.834528 where: bonds (distance) C4'-P energy: -97.802 bonds (distance) P-C4' energy: -104.889 flat angles C4'-P-C4' energy: -129.346 flat angles P-C4'-P energy: -75.562 tors. eta vs tors. theta energy: -81.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1236.402494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.402494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.402494 (E_RNA) where: Base-Base interactions energy: -812.280 where: short stacking energy: -362.610 Base-Backbone interact. energy: -1.134 local terms energy: -422.989409 where: bonds (distance) C4'-P energy: -96.726 bonds (distance) P-C4' energy: -107.026 flat angles C4'-P-C4' energy: -99.313 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: -56.539 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: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2688.326384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.326384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.326384 (E_RNA) where: Base-Base interactions energy: -1919.574 where: short stacking energy: -801.951 Base-Backbone interact. energy: -1.547 local terms energy: -767.205762 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -128.648 flat angles C4'-P-C4' energy: -158.141 flat angles P-C4'-P energy: -105.545 tors. eta vs tors. theta energy: -244.250 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: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2580.697574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.697574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.697574 (E_RNA) where: Base-Base interactions energy: -1806.649 where: short stacking energy: -755.093 Base-Backbone interact. energy: 1.712 local terms energy: -775.761028 where: bonds (distance) C4'-P energy: -115.431 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -163.821 flat angles P-C4'-P energy: -119.952 tors. eta vs tors. theta energy: -236.765 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: 308 Temperature: 1.000000 Total energy: -2513.025681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.025681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.025681 (E_RNA) where: Base-Base interactions energy: -1810.165 where: short stacking energy: -706.593 Base-Backbone interact. energy: -2.591 local terms energy: -700.269668 where: bonds (distance) C4'-P energy: -120.795 bonds (distance) P-C4' energy: -130.462 flat angles C4'-P-C4' energy: -152.590 flat angles P-C4'-P energy: -88.014 tors. eta vs tors. theta energy: -208.409 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: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2509.328920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.328920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.328920 (E_RNA) where: Base-Base interactions energy: -1776.670 where: short stacking energy: -741.745 Base-Backbone interact. energy: -1.419 local terms energy: -731.240246 where: bonds (distance) C4'-P energy: -117.093 bonds (distance) P-C4' energy: -131.881 flat angles C4'-P-C4' energy: -147.210 flat angles P-C4'-P energy: -106.001 tors. eta vs tors. theta energy: -229.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2396.600896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.600896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.600896 (E_RNA) where: Base-Base interactions energy: -1714.745 where: short stacking energy: -685.638 Base-Backbone interact. energy: -0.382 local terms energy: -681.474014 where: bonds (distance) C4'-P energy: -104.775 bonds (distance) P-C4' energy: -132.767 flat angles C4'-P-C4' energy: -151.478 flat angles P-C4'-P energy: -86.318 tors. eta vs tors. theta energy: -206.135 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: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2311.598969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.598969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.598969 (E_RNA) where: Base-Base interactions energy: -1657.550 where: short stacking energy: -679.593 Base-Backbone interact. energy: -0.888 local terms energy: -653.161176 where: bonds (distance) C4'-P energy: -118.373 bonds (distance) P-C4' energy: -101.627 flat angles C4'-P-C4' energy: -135.512 flat angles P-C4'-P energy: -91.307 tors. eta vs tors. theta energy: -206.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2185.763836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.763836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.763836 (E_RNA) where: Base-Base interactions energy: -1565.355 where: short stacking energy: -634.450 Base-Backbone interact. energy: 0.268 local terms energy: -620.677088 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -103.592 flat angles C4'-P-C4' energy: -124.325 flat angles P-C4'-P energy: -93.919 tors. eta vs tors. theta energy: -192.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1612.303184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.303184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.303184 (E_RNA) where: Base-Base interactions energy: -1104.074 where: short stacking energy: -494.972 Base-Backbone interact. energy: -1.734 local terms energy: -506.495303 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -117.033 flat angles C4'-P-C4' energy: -114.051 flat angles P-C4'-P energy: -76.255 tors. eta vs tors. theta energy: -115.602 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: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1520.518122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.518122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.518122 (E_RNA) where: Base-Base interactions energy: -1036.919 where: short stacking energy: -425.527 Base-Backbone interact. energy: -2.332 local terms energy: -481.267721 where: bonds (distance) C4'-P energy: -115.193 bonds (distance) P-C4' energy: -108.184 flat angles C4'-P-C4' energy: -110.803 flat angles P-C4'-P energy: -52.375 tors. eta vs tors. theta energy: -94.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1286.053333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.053333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.053333 (E_RNA) where: Base-Base interactions energy: -847.258 where: short stacking energy: -363.685 Base-Backbone interact. energy: 2.598 local terms energy: -441.393599 where: bonds (distance) C4'-P energy: -117.044 bonds (distance) P-C4' energy: -107.574 flat angles C4'-P-C4' energy: -115.425 flat angles P-C4'-P energy: -49.911 tors. eta vs tors. theta energy: -51.439 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: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2682.892547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.892547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.892547 (E_RNA) where: Base-Base interactions energy: -1916.535 where: short stacking energy: -767.775 Base-Backbone interact. energy: -1.951 local terms energy: -764.406194 where: bonds (distance) C4'-P energy: -134.790 bonds (distance) P-C4' energy: -131.702 flat angles C4'-P-C4' energy: -153.385 flat angles P-C4'-P energy: -109.774 tors. eta vs tors. theta energy: -234.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2556.223993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.223993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.223993 (E_RNA) where: Base-Base interactions energy: -1819.504 where: short stacking energy: -755.576 Base-Backbone interact. energy: -2.221 local terms energy: -734.498960 where: bonds (distance) C4'-P energy: -127.143 bonds (distance) P-C4' energy: -123.191 flat angles C4'-P-C4' energy: -150.517 flat angles P-C4'-P energy: -102.731 tors. eta vs tors. theta energy: -230.917 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: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2510.778895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.778895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.778895 (E_RNA) where: Base-Base interactions energy: -1798.138 where: short stacking energy: -704.937 Base-Backbone interact. energy: -1.978 local terms energy: -710.662654 where: bonds (distance) C4'-P energy: -112.195 bonds (distance) P-C4' energy: -130.865 flat angles C4'-P-C4' energy: -151.319 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -209.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2489.531396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.531396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.531396 (E_RNA) where: Base-Base interactions energy: -1765.472 where: short stacking energy: -738.869 Base-Backbone interact. energy: -3.177 local terms energy: -720.882833 where: bonds (distance) C4'-P energy: -120.450 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -148.666 flat angles P-C4'-P energy: -92.360 tors. eta vs tors. theta energy: -235.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2393.861844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.861844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.861844 (E_RNA) where: Base-Base interactions energy: -1724.407 where: short stacking energy: -709.062 Base-Backbone interact. energy: -0.973 local terms energy: -668.481547 where: bonds (distance) C4'-P energy: -119.853 bonds (distance) P-C4' energy: -109.553 flat angles C4'-P-C4' energy: -142.403 flat angles P-C4'-P energy: -84.078 tors. eta vs tors. theta energy: -212.595 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: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2277.324085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.324085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.324085 (E_RNA) where: Base-Base interactions energy: -1636.933 where: short stacking energy: -647.859 Base-Backbone interact. energy: -2.975 local terms energy: -637.416350 where: bonds (distance) C4'-P energy: -115.779 bonds (distance) P-C4' energy: -103.074 flat angles C4'-P-C4' energy: -127.116 flat angles P-C4'-P energy: -91.532 tors. eta vs tors. theta energy: -199.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2216.306948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.306948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.306948 (E_RNA) where: Base-Base interactions energy: -1562.241 where: short stacking energy: -634.341 Base-Backbone interact. energy: 3.175 local terms energy: -657.240949 where: bonds (distance) C4'-P energy: -108.794 bonds (distance) P-C4' energy: -129.192 flat angles C4'-P-C4' energy: -142.923 flat angles P-C4'-P energy: -77.611 tors. eta vs tors. theta energy: -198.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1621.596876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.596876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.596876 (E_RNA) where: Base-Base interactions energy: -1053.816 where: short stacking energy: -471.185 Base-Backbone interact. energy: -3.142 local terms energy: -564.638562 where: bonds (distance) C4'-P energy: -109.232 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -143.374 flat angles P-C4'-P energy: -91.457 tors. eta vs tors. theta energy: -128.108 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: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1501.758228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.758228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.758228 (E_RNA) where: Base-Base interactions energy: -1034.085 where: short stacking energy: -428.589 Base-Backbone interact. energy: 1.526 local terms energy: -469.199427 where: bonds (distance) C4'-P energy: -102.942 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -111.577 flat angles P-C4'-P energy: -64.045 tors. eta vs tors. theta energy: -93.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1275.422293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.422293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.422293 (E_RNA) where: Base-Base interactions energy: -813.885 where: short stacking energy: -352.641 Base-Backbone interact. energy: 1.626 local terms energy: -463.163776 where: bonds (distance) C4'-P energy: -96.382 bonds (distance) P-C4' energy: -126.494 flat angles C4'-P-C4' energy: -117.919 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -54.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2689.152160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.152160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.152160 (E_RNA) where: Base-Base interactions energy: -1915.788 where: short stacking energy: -766.655 Base-Backbone interact. energy: -1.046 local terms energy: -772.318567 where: bonds (distance) C4'-P energy: -127.151 bonds (distance) P-C4' energy: -136.727 flat angles C4'-P-C4' energy: -156.827 flat angles P-C4'-P energy: -112.810 tors. eta vs tors. theta energy: -238.805 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: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2574.838717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.838717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.838717 (E_RNA) where: Base-Base interactions energy: -1794.144 where: short stacking energy: -758.649 Base-Backbone interact. energy: -2.324 local terms energy: -778.370232 where: bonds (distance) C4'-P energy: -127.871 bonds (distance) P-C4' energy: -142.441 flat angles C4'-P-C4' energy: -158.074 flat angles P-C4'-P energy: -114.791 tors. eta vs tors. theta energy: -235.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2528.817675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.817675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.817675 (E_RNA) where: Base-Base interactions energy: -1817.049 where: short stacking energy: -730.811 Base-Backbone interact. energy: -1.839 local terms energy: -709.929746 where: bonds (distance) C4'-P energy: -123.178 bonds (distance) P-C4' energy: -128.575 flat angles C4'-P-C4' energy: -156.082 flat angles P-C4'-P energy: -90.471 tors. eta vs tors. theta energy: -211.623 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: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2495.971506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.971506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.971506 (E_RNA) where: Base-Base interactions energy: -1763.585 where: short stacking energy: -730.345 Base-Backbone interact. energy: -2.822 local terms energy: -729.563837 where: bonds (distance) C4'-P energy: -114.141 bonds (distance) P-C4' energy: -122.736 flat angles C4'-P-C4' energy: -154.529 flat angles P-C4'-P energy: -101.221 tors. eta vs tors. theta energy: -236.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2378.420473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.420473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.420473 (E_RNA) where: Base-Base interactions energy: -1705.660 where: short stacking energy: -693.661 Base-Backbone interact. energy: -2.344 local terms energy: -670.417009 where: bonds (distance) C4'-P energy: -120.466 bonds (distance) P-C4' energy: -119.127 flat angles C4'-P-C4' energy: -132.338 flat angles P-C4'-P energy: -91.329 tors. eta vs tors. theta energy: -207.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2305.199511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.199511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.199511 (E_RNA) where: Base-Base interactions energy: -1656.611 where: short stacking energy: -653.187 Base-Backbone interact. energy: -3.061 local terms energy: -645.526935 where: bonds (distance) C4'-P energy: -95.186 bonds (distance) P-C4' energy: -126.292 flat angles C4'-P-C4' energy: -132.575 flat angles P-C4'-P energy: -96.664 tors. eta vs tors. theta energy: -194.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2241.170522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.170522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.170522 (E_RNA) where: Base-Base interactions energy: -1574.427 where: short stacking energy: -669.991 Base-Backbone interact. energy: 0.530 local terms energy: -667.273139 where: bonds (distance) C4'-P energy: -117.335 bonds (distance) P-C4' energy: -109.850 flat angles C4'-P-C4' energy: -149.003 flat angles P-C4'-P energy: -82.625 tors. eta vs tors. theta energy: -208.460 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: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1603.406439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.406439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.406439 (E_RNA) where: Base-Base interactions energy: -1114.808 where: short stacking energy: -491.074 Base-Backbone interact. energy: -1.898 local terms energy: -486.700045 where: bonds (distance) C4'-P energy: -111.704 bonds (distance) P-C4' energy: -98.124 flat angles C4'-P-C4' energy: -111.894 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: -99.102 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: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1393.019815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.019815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.019815 (E_RNA) where: Base-Base interactions energy: -909.885 where: short stacking energy: -383.426 Base-Backbone interact. energy: -1.810 local terms energy: -481.325280 where: bonds (distance) C4'-P energy: -106.983 bonds (distance) P-C4' energy: -90.301 flat angles C4'-P-C4' energy: -127.767 flat angles P-C4'-P energy: -73.572 tors. eta vs tors. theta energy: -82.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1402.400574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.400574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.400574 (E_RNA) where: Base-Base interactions energy: -917.071 where: short stacking energy: -421.288 Base-Backbone interact. energy: -1.733 local terms energy: -483.597079 where: bonds (distance) C4'-P energy: -108.903 bonds (distance) P-C4' energy: -130.087 flat angles C4'-P-C4' energy: -109.513 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: -82.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2687.674370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.674370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.674370 (E_RNA) where: Base-Base interactions energy: -1918.712 where: short stacking energy: -794.756 Base-Backbone interact. energy: -1.737 local terms energy: -767.225516 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -128.767 flat angles C4'-P-C4' energy: -161.081 flat angles P-C4'-P energy: -117.225 tors. eta vs tors. theta energy: -238.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2598.821668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.821668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.821668 (E_RNA) where: Base-Base interactions energy: -1823.091 where: short stacking energy: -750.600 Base-Backbone interact. energy: 1.141 local terms energy: -776.872042 where: bonds (distance) C4'-P energy: -135.797 bonds (distance) P-C4' energy: -137.034 flat angles C4'-P-C4' energy: -156.671 flat angles P-C4'-P energy: -110.427 tors. eta vs tors. theta energy: -236.943 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: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2542.459482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.459482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.459482 (E_RNA) where: Base-Base interactions energy: -1830.236 where: short stacking energy: -740.454 Base-Backbone interact. energy: 0.485 local terms energy: -712.708829 where: bonds (distance) C4'-P energy: -121.774 bonds (distance) P-C4' energy: -119.286 flat angles C4'-P-C4' energy: -148.407 flat angles P-C4'-P energy: -104.928 tors. eta vs tors. theta energy: -218.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2490.793544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.793544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.793544 (E_RNA) where: Base-Base interactions energy: -1780.298 where: short stacking energy: -733.522 Base-Backbone interact. energy: -0.956 local terms energy: -709.539132 where: bonds (distance) C4'-P energy: -123.904 bonds (distance) P-C4' energy: -110.527 flat angles C4'-P-C4' energy: -151.624 flat angles P-C4'-P energy: -96.330 tors. eta vs tors. theta energy: -227.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2387.568661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.568661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.568661 (E_RNA) where: Base-Base interactions energy: -1722.107 where: short stacking energy: -665.213 Base-Backbone interact. energy: -2.433 local terms energy: -663.028908 where: bonds (distance) C4'-P energy: -120.391 bonds (distance) P-C4' energy: -112.084 flat angles C4'-P-C4' energy: -133.598 flat angles P-C4'-P energy: -100.842 tors. eta vs tors. theta energy: -196.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2276.165805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.165805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.165805 (E_RNA) where: Base-Base interactions energy: -1612.041 where: short stacking energy: -661.638 Base-Backbone interact. energy: 0.316 local terms energy: -664.440888 where: bonds (distance) C4'-P energy: -105.521 bonds (distance) P-C4' energy: -120.106 flat angles C4'-P-C4' energy: -138.655 flat angles P-C4'-P energy: -95.257 tors. eta vs tors. theta energy: -204.901 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: 311 Temperature: 1.200000 Total energy: -2231.054225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.054225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.054225 (E_RNA) where: Base-Base interactions energy: -1594.981 where: short stacking energy: -652.581 Base-Backbone interact. energy: -0.654 local terms energy: -635.419387 where: bonds (distance) C4'-P energy: -103.848 bonds (distance) P-C4' energy: -113.586 flat angles C4'-P-C4' energy: -121.121 flat angles P-C4'-P energy: -95.124 tors. eta vs tors. theta energy: -201.740 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: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1624.187696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.187696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.187696 (E_RNA) where: Base-Base interactions energy: -1083.210 where: short stacking energy: -460.580 Base-Backbone interact. energy: 3.420 local terms energy: -544.397096 where: bonds (distance) C4'-P energy: -115.230 bonds (distance) P-C4' energy: -112.741 flat angles C4'-P-C4' energy: -122.833 flat angles P-C4'-P energy: -78.893 tors. eta vs tors. theta energy: -114.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1478.407934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.407934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.407934 (E_RNA) where: Base-Base interactions energy: -972.978 where: short stacking energy: -412.310 Base-Backbone interact. energy: 0.446 local terms energy: -505.876151 where: bonds (distance) C4'-P energy: -119.248 bonds (distance) P-C4' energy: -106.788 flat angles C4'-P-C4' energy: -109.510 flat angles P-C4'-P energy: -86.337 tors. eta vs tors. theta energy: -83.992 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: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1415.199979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.199979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.199979 (E_RNA) where: Base-Base interactions energy: -919.540 where: short stacking energy: -394.203 Base-Backbone interact. energy: 0.342 local terms energy: -496.002187 where: bonds (distance) C4'-P energy: -110.462 bonds (distance) P-C4' energy: -117.814 flat angles C4'-P-C4' energy: -121.177 flat angles P-C4'-P energy: -63.587 tors. eta vs tors. theta energy: -82.962 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: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2702.923545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.923545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.923545 (E_RNA) where: Base-Base interactions energy: -1924.834 where: short stacking energy: -795.889 Base-Backbone interact. energy: -0.037 local terms energy: -778.052830 where: bonds (distance) C4'-P energy: -126.919 bonds (distance) P-C4' energy: -131.411 flat angles C4'-P-C4' energy: -173.486 flat angles P-C4'-P energy: -102.011 tors. eta vs tors. theta energy: -244.226 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: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2543.081373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.081373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.081373 (E_RNA) where: Base-Base interactions energy: -1794.643 where: short stacking energy: -735.859 Base-Backbone interact. energy: -0.765 local terms energy: -747.673881 where: bonds (distance) C4'-P energy: -134.748 bonds (distance) P-C4' energy: -128.040 flat angles C4'-P-C4' energy: -155.223 flat angles P-C4'-P energy: -97.361 tors. eta vs tors. theta energy: -232.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2550.610324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.610324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.610324 (E_RNA) where: Base-Base interactions energy: -1819.608 where: short stacking energy: -728.508 Base-Backbone interact. energy: -0.793 local terms energy: -730.210166 where: bonds (distance) C4'-P energy: -123.056 bonds (distance) P-C4' energy: -132.399 flat angles C4'-P-C4' energy: -144.053 flat angles P-C4'-P energy: -116.923 tors. eta vs tors. theta energy: -213.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2483.885556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.885556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.885556 (E_RNA) where: Base-Base interactions energy: -1781.226 where: short stacking energy: -759.940 Base-Backbone interact. energy: -0.890 local terms energy: -701.769012 where: bonds (distance) C4'-P energy: -102.917 bonds (distance) P-C4' energy: -111.060 flat angles C4'-P-C4' energy: -149.787 flat angles P-C4'-P energy: -103.448 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: 5, replica: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2401.135440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.135440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.135440 (E_RNA) where: Base-Base interactions energy: -1738.990 where: short stacking energy: -705.821 Base-Backbone interact. energy: -2.794 local terms energy: -659.351015 where: bonds (distance) C4'-P energy: -109.305 bonds (distance) P-C4' energy: -105.480 flat angles C4'-P-C4' energy: -147.878 flat angles P-C4'-P energy: -84.599 tors. eta vs tors. theta energy: -212.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2217.024105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.024105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.024105 (E_RNA) where: Base-Base interactions energy: -1566.690 where: short stacking energy: -621.031 Base-Backbone interact. energy: -2.380 local terms energy: -647.954533 where: bonds (distance) C4'-P energy: -122.285 bonds (distance) P-C4' energy: -117.067 flat angles C4'-P-C4' energy: -137.970 flat angles P-C4'-P energy: -96.207 tors. eta vs tors. theta energy: -174.425 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: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2213.857444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.857444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.857444 (E_RNA) where: Base-Base interactions energy: -1563.604 where: short stacking energy: -641.524 Base-Backbone interact. energy: -3.283 local terms energy: -646.970492 where: bonds (distance) C4'-P energy: -117.973 bonds (distance) P-C4' energy: -94.697 flat angles C4'-P-C4' energy: -141.331 flat angles P-C4'-P energy: -95.307 tors. eta vs tors. theta energy: -197.663 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: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1700.068230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.068230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.068230 (E_RNA) where: Base-Base interactions energy: -1164.568 where: short stacking energy: -485.341 Base-Backbone interact. energy: 0.354 local terms energy: -535.853758 where: bonds (distance) C4'-P energy: -85.362 bonds (distance) P-C4' energy: -134.705 flat angles C4'-P-C4' energy: -129.161 flat angles P-C4'-P energy: -66.047 tors. eta vs tors. theta energy: -120.578 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: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1383.892232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.892232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.892232 (E_RNA) where: Base-Base interactions energy: -913.610 where: short stacking energy: -390.510 Base-Backbone interact. energy: -2.290 local terms energy: -467.991660 where: bonds (distance) C4'-P energy: -101.235 bonds (distance) P-C4' energy: -109.764 flat angles C4'-P-C4' energy: -117.107 flat angles P-C4'-P energy: -68.211 tors. eta vs tors. theta energy: -71.674 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: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1372.612905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.612905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.612905 (E_RNA) where: Base-Base interactions energy: -914.427 where: short stacking energy: -393.200 Base-Backbone interact. energy: -0.399 local terms energy: -457.787450 where: bonds (distance) C4'-P energy: -95.248 bonds (distance) P-C4' energy: -111.111 flat angles C4'-P-C4' energy: -121.877 flat angles P-C4'-P energy: -57.259 tors. eta vs tors. theta energy: -72.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2681.970694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.970694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.970694 (E_RNA) where: Base-Base interactions energy: -1916.086 where: short stacking energy: -790.665 Base-Backbone interact. energy: -0.821 local terms energy: -765.062977 where: bonds (distance) C4'-P energy: -126.701 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -156.103 flat angles P-C4'-P energy: -111.312 tors. eta vs tors. theta energy: -243.545 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: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2582.290646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.290646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.290646 (E_RNA) where: Base-Base interactions energy: -1843.872 where: short stacking energy: -745.368 Base-Backbone interact. energy: -2.508 local terms energy: -735.910601 where: bonds (distance) C4'-P energy: -138.305 bonds (distance) P-C4' energy: -124.737 flat angles C4'-P-C4' energy: -149.561 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -213.168 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: 7 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2509.022969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.022969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.022969 (E_RNA) where: Base-Base interactions energy: -1792.120 where: short stacking energy: -734.163 Base-Backbone interact. energy: 2.790 local terms energy: -719.693077 where: bonds (distance) C4'-P energy: -120.256 bonds (distance) P-C4' energy: -126.800 flat angles C4'-P-C4' energy: -142.279 flat angles P-C4'-P energy: -101.646 tors. eta vs tors. theta energy: -228.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2440.216231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.216231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.216231 (E_RNA) where: Base-Base interactions energy: -1738.859 where: short stacking energy: -692.285 Base-Backbone interact. energy: -1.107 local terms energy: -700.249744 where: bonds (distance) C4'-P energy: -114.062 bonds (distance) P-C4' energy: -117.024 flat angles C4'-P-C4' energy: -156.654 flat angles P-C4'-P energy: -92.004 tors. eta vs tors. theta energy: -220.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2415.126937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.126937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.126937 (E_RNA) where: Base-Base interactions energy: -1701.073 where: short stacking energy: -694.045 Base-Backbone interact. energy: 1.049 local terms energy: -715.103540 where: bonds (distance) C4'-P energy: -120.730 bonds (distance) P-C4' energy: -134.483 flat angles C4'-P-C4' energy: -147.120 flat angles P-C4'-P energy: -90.543 tors. eta vs tors. theta energy: -222.228 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: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2290.092440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.092440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.092440 (E_RNA) where: Base-Base interactions energy: -1604.814 where: short stacking energy: -644.898 Base-Backbone interact. energy: -1.760 local terms energy: -683.518787 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -131.952 flat angles C4'-P-C4' energy: -132.536 flat angles P-C4'-P energy: -87.967 tors. eta vs tors. theta energy: -200.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2225.098440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.098440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.098440 (E_RNA) where: Base-Base interactions energy: -1603.919 where: short stacking energy: -645.054 Base-Backbone interact. energy: -2.364 local terms energy: -618.815130 where: bonds (distance) C4'-P energy: -106.097 bonds (distance) P-C4' energy: -99.021 flat angles C4'-P-C4' energy: -118.523 flat angles P-C4'-P energy: -91.712 tors. eta vs tors. theta energy: -203.462 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: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1675.308377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.308377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.308377 (E_RNA) where: Base-Base interactions energy: -1139.472 where: short stacking energy: -488.024 Base-Backbone interact. energy: -2.023 local terms energy: -533.813217 where: bonds (distance) C4'-P energy: -118.999 bonds (distance) P-C4' energy: -100.428 flat angles C4'-P-C4' energy: -125.172 flat angles P-C4'-P energy: -63.873 tors. eta vs tors. theta energy: -125.340 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: 313 Temperature: 1.300000 Total energy: -1478.490169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.490169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.490169 (E_RNA) where: Base-Base interactions energy: -1011.896 where: short stacking energy: -402.199 Base-Backbone interact. energy: 2.919 local terms energy: -469.512705 where: bonds (distance) C4'-P energy: -105.929 bonds (distance) P-C4' energy: -103.666 flat angles C4'-P-C4' energy: -109.954 flat angles P-C4'-P energy: -69.167 tors. eta vs tors. theta energy: -80.796 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: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1369.259419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.259419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.259419 (E_RNA) where: Base-Base interactions energy: -938.441 where: short stacking energy: -377.213 Base-Backbone interact. energy: 5.081 local terms energy: -435.899537 where: bonds (distance) C4'-P energy: -95.237 bonds (distance) P-C4' energy: -75.927 flat angles C4'-P-C4' energy: -117.102 flat angles P-C4'-P energy: -74.713 tors. eta vs tors. theta energy: -72.921 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: 314 Temperature: 0.900000 Total energy: -2683.247007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.247007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.247007 (E_RNA) where: Base-Base interactions energy: -1906.017 where: short stacking energy: -780.761 Base-Backbone interact. energy: -0.887 local terms energy: -776.343357 where: bonds (distance) C4'-P energy: -136.141 bonds (distance) P-C4' energy: -131.130 flat angles C4'-P-C4' energy: -159.486 flat angles P-C4'-P energy: -114.540 tors. eta vs tors. theta energy: -235.047 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: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2601.792254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.792254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.792254 (E_RNA) where: Base-Base interactions energy: -1859.827 where: short stacking energy: -729.085 Base-Backbone interact. energy: -1.588 local terms energy: -740.377065 where: bonds (distance) C4'-P energy: -127.026 bonds (distance) P-C4' energy: -134.434 flat angles C4'-P-C4' energy: -152.317 flat angles P-C4'-P energy: -106.212 tors. eta vs tors. theta energy: -220.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2525.806739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.806739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.806739 (E_RNA) where: Base-Base interactions energy: -1801.188 where: short stacking energy: -728.531 Base-Backbone interact. energy: -4.134 local terms energy: -720.485370 where: bonds (distance) C4'-P energy: -132.462 bonds (distance) P-C4' energy: -120.329 flat angles C4'-P-C4' energy: -150.574 flat angles P-C4'-P energy: -105.038 tors. eta vs tors. theta energy: -212.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2469.216739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.216739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.216739 (E_RNA) where: Base-Base interactions energy: -1754.389 where: short stacking energy: -725.401 Base-Backbone interact. energy: -0.008 local terms energy: -714.819788 where: bonds (distance) C4'-P energy: -109.945 bonds (distance) P-C4' energy: -123.178 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -102.639 tors. eta vs tors. theta energy: -230.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2422.486335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.486335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.486335 (E_RNA) where: Base-Base interactions energy: -1738.700 where: short stacking energy: -714.160 Base-Backbone interact. energy: -1.778 local terms energy: -682.008592 where: bonds (distance) C4'-P energy: -97.766 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -151.912 flat angles P-C4'-P energy: -88.443 tors. eta vs tors. theta energy: -219.017 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: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2355.951902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.951902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.951902 (E_RNA) where: Base-Base interactions energy: -1666.111 where: short stacking energy: -703.319 Base-Backbone interact. energy: -2.757 local terms energy: -687.084384 where: bonds (distance) C4'-P energy: -101.494 bonds (distance) P-C4' energy: -104.171 flat angles C4'-P-C4' energy: -153.210 flat angles P-C4'-P energy: -99.812 tors. eta vs tors. theta energy: -228.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2229.328354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.328354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.328354 (E_RNA) where: Base-Base interactions energy: -1584.438 where: short stacking energy: -621.069 Base-Backbone interact. energy: -0.789 local terms energy: -644.100845 where: bonds (distance) C4'-P energy: -116.347 bonds (distance) P-C4' energy: -102.293 flat angles C4'-P-C4' energy: -146.950 flat angles P-C4'-P energy: -83.654 tors. eta vs tors. theta energy: -194.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1742.639866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.639866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.639866 (E_RNA) where: Base-Base interactions energy: -1215.248 where: short stacking energy: -499.203 Base-Backbone interact. energy: -1.778 local terms energy: -525.613925 where: bonds (distance) C4'-P energy: -111.053 bonds (distance) P-C4' energy: -105.166 flat angles C4'-P-C4' energy: -111.546 flat angles P-C4'-P energy: -77.990 tors. eta vs tors. theta energy: -119.860 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: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1425.006663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.006663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.006663 (E_RNA) where: Base-Base interactions energy: -987.582 where: short stacking energy: -392.252 Base-Backbone interact. energy: 0.883 local terms energy: -438.307959 where: bonds (distance) C4'-P energy: -85.898 bonds (distance) P-C4' energy: -90.934 flat angles C4'-P-C4' energy: -114.915 flat angles P-C4'-P energy: -66.480 tors. eta vs tors. theta energy: -80.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1432.846638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.846638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.846638 (E_RNA) where: Base-Base interactions energy: -966.099 where: short stacking energy: -394.553 Base-Backbone interact. energy: -1.036 local terms energy: -465.711467 where: bonds (distance) C4'-P energy: -78.670 bonds (distance) P-C4' energy: -112.199 flat angles C4'-P-C4' energy: -119.790 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -84.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2703.528757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.528757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.528757 (E_RNA) where: Base-Base interactions energy: -1908.700 where: short stacking energy: -775.357 Base-Backbone interact. energy: 0.115 local terms energy: -794.943204 where: bonds (distance) C4'-P energy: -136.494 bonds (distance) P-C4' energy: -141.543 flat angles C4'-P-C4' energy: -164.053 flat angles P-C4'-P energy: -120.470 tors. eta vs tors. theta energy: -232.383 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: 315 Temperature: 0.950000 Total energy: -2595.362706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.362706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.362706 (E_RNA) where: Base-Base interactions energy: -1864.593 where: short stacking energy: -716.792 Base-Backbone interact. energy: -1.262 local terms energy: -729.507598 where: bonds (distance) C4'-P energy: -120.389 bonds (distance) P-C4' energy: -135.076 flat angles C4'-P-C4' energy: -157.007 flat angles P-C4'-P energy: -106.928 tors. eta vs tors. theta energy: -210.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2521.990289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.990289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.990289 (E_RNA) where: Base-Base interactions energy: -1827.929 where: short stacking energy: -728.680 Base-Backbone interact. energy: -2.525 local terms energy: -691.536365 where: bonds (distance) C4'-P energy: -114.066 bonds (distance) P-C4' energy: -114.080 flat angles C4'-P-C4' energy: -141.195 flat angles P-C4'-P energy: -105.287 tors. eta vs tors. theta energy: -216.908 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: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2467.505417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.505417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.505417 (E_RNA) where: Base-Base interactions energy: -1759.178 where: short stacking energy: -730.368 Base-Backbone interact. energy: 3.442 local terms energy: -711.769819 where: bonds (distance) C4'-P energy: -115.123 bonds (distance) P-C4' energy: -118.068 flat angles C4'-P-C4' energy: -142.669 flat angles P-C4'-P energy: -104.587 tors. eta vs tors. theta energy: -231.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2410.077149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.077149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.077149 (E_RNA) where: Base-Base interactions energy: -1705.645 where: short stacking energy: -703.940 Base-Backbone interact. energy: -1.873 local terms energy: -702.559507 where: bonds (distance) C4'-P energy: -114.455 bonds (distance) P-C4' energy: -113.981 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -88.839 tors. eta vs tors. theta energy: -234.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2392.300813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.300813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.300813 (E_RNA) where: Base-Base interactions energy: -1691.518 where: short stacking energy: -716.217 Base-Backbone interact. energy: -0.740 local terms energy: -700.042671 where: bonds (distance) C4'-P energy: -110.256 bonds (distance) P-C4' energy: -119.399 flat angles C4'-P-C4' energy: -137.257 flat angles P-C4'-P energy: -92.644 tors. eta vs tors. theta energy: -240.487 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: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2222.738170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.738170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.738170 (E_RNA) where: Base-Base interactions energy: -1594.374 where: short stacking energy: -644.996 Base-Backbone interact. energy: 2.266 local terms energy: -630.629904 where: bonds (distance) C4'-P energy: -103.655 bonds (distance) P-C4' energy: -113.956 flat angles C4'-P-C4' energy: -122.109 flat angles P-C4'-P energy: -94.363 tors. eta vs tors. theta energy: -196.547 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: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1746.131635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.131635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.131635 (E_RNA) where: Base-Base interactions energy: -1190.205 where: short stacking energy: -516.433 Base-Backbone interact. energy: 0.305 local terms energy: -556.232054 where: bonds (distance) C4'-P energy: -119.513 bonds (distance) P-C4' energy: -96.721 flat angles C4'-P-C4' energy: -130.574 flat angles P-C4'-P energy: -67.295 tors. eta vs tors. theta energy: -142.129 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: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1502.473587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.473587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.473587 (E_RNA) where: Base-Base interactions energy: -1000.050 where: short stacking energy: -398.940 Base-Backbone interact. energy: -1.565 local terms energy: -500.858137 where: bonds (distance) C4'-P energy: -106.734 bonds (distance) P-C4' energy: -110.431 flat angles C4'-P-C4' energy: -120.668 flat angles P-C4'-P energy: -75.873 tors. eta vs tors. theta energy: -87.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1342.151397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.151397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.151397 (E_RNA) where: Base-Base interactions energy: -910.764 where: short stacking energy: -394.868 Base-Backbone interact. energy: 1.084 local terms energy: -432.471831 where: bonds (distance) C4'-P energy: -93.411 bonds (distance) P-C4' energy: -101.426 flat angles C4'-P-C4' energy: -99.068 flat angles P-C4'-P energy: -63.698 tors. eta vs tors. theta energy: -74.868 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: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2693.919606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.919606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.919606 (E_RNA) where: Base-Base interactions energy: -1902.807 where: short stacking energy: -769.788 Base-Backbone interact. energy: -1.725 local terms energy: -789.387532 where: bonds (distance) C4'-P energy: -153.366 bonds (distance) P-C4' energy: -143.386 flat angles C4'-P-C4' energy: -160.719 flat angles P-C4'-P energy: -100.501 tors. eta vs tors. theta energy: -231.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2582.657991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.657991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.657991 (E_RNA) where: Base-Base interactions energy: -1834.526 where: short stacking energy: -717.164 Base-Backbone interact. energy: -1.313 local terms energy: -746.819347 where: bonds (distance) C4'-P energy: -135.040 bonds (distance) P-C4' energy: -127.925 flat angles C4'-P-C4' energy: -160.447 flat angles P-C4'-P energy: -106.271 tors. eta vs tors. theta energy: -217.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2508.891456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.891456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.891456 (E_RNA) where: Base-Base interactions energy: -1785.531 where: short stacking energy: -719.507 Base-Backbone interact. energy: -1.837 local terms energy: -721.523743 where: bonds (distance) C4'-P energy: -126.723 bonds (distance) P-C4' energy: -128.980 flat angles C4'-P-C4' energy: -146.207 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -217.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2466.453089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.453089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.453089 (E_RNA) where: Base-Base interactions energy: -1751.923 where: short stacking energy: -719.176 Base-Backbone interact. energy: -1.585 local terms energy: -712.945358 where: bonds (distance) C4'-P energy: -123.451 bonds (distance) P-C4' energy: -121.326 flat angles C4'-P-C4' energy: -143.803 flat angles P-C4'-P energy: -93.878 tors. eta vs tors. theta energy: -230.488 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: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2395.308379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.308379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.308379 (E_RNA) where: Base-Base interactions energy: -1706.369 where: short stacking energy: -710.446 Base-Backbone interact. energy: -0.527 local terms energy: -688.412923 where: bonds (distance) C4'-P energy: -104.676 bonds (distance) P-C4' energy: -126.649 flat angles C4'-P-C4' energy: -142.451 flat angles P-C4'-P energy: -94.858 tors. eta vs tors. theta energy: -219.779 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: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2366.686325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.686325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.686325 (E_RNA) where: Base-Base interactions energy: -1682.562 where: short stacking energy: -710.112 Base-Backbone interact. energy: -1.628 local terms energy: -682.496841 where: bonds (distance) C4'-P energy: -109.771 bonds (distance) P-C4' energy: -108.625 flat angles C4'-P-C4' energy: -141.850 flat angles P-C4'-P energy: -94.223 tors. eta vs tors. theta energy: -228.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2210.117817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.117817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.117817 (E_RNA) where: Base-Base interactions energy: -1577.704 where: short stacking energy: -627.360 Base-Backbone interact. energy: -2.436 local terms energy: -629.977231 where: bonds (distance) C4'-P energy: -115.395 bonds (distance) P-C4' energy: -103.467 flat angles C4'-P-C4' energy: -125.705 flat angles P-C4'-P energy: -87.900 tors. eta vs tors. theta energy: -197.510 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: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1743.218051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.218051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.218051 (E_RNA) where: Base-Base interactions energy: -1189.821 where: short stacking energy: -517.830 Base-Backbone interact. energy: -3.260 local terms energy: -550.136338 where: bonds (distance) C4'-P energy: -105.357 bonds (distance) P-C4' energy: -97.909 flat angles C4'-P-C4' energy: -144.613 flat angles P-C4'-P energy: -73.056 tors. eta vs tors. theta energy: -129.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1475.244484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.244484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.244484 (E_RNA) where: Base-Base interactions energy: -1012.765 where: short stacking energy: -438.762 Base-Backbone interact. energy: 0.711 local terms energy: -463.189910 where: bonds (distance) C4'-P energy: -90.231 bonds (distance) P-C4' energy: -89.866 flat angles C4'-P-C4' energy: -107.429 flat angles P-C4'-P energy: -79.788 tors. eta vs tors. theta energy: -95.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1301.638372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.638372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.638372 (E_RNA) where: Base-Base interactions energy: -853.791 where: short stacking energy: -359.989 Base-Backbone interact. energy: -0.576 local terms energy: -447.271482 where: bonds (distance) C4'-P energy: -93.908 bonds (distance) P-C4' energy: -102.197 flat angles C4'-P-C4' energy: -113.594 flat angles P-C4'-P energy: -67.204 tors. eta vs tors. theta energy: -70.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2713.925603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.925603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.925603 (E_RNA) where: Base-Base interactions energy: -1943.156 where: short stacking energy: -777.411 Base-Backbone interact. energy: 1.063 local terms energy: -771.832245 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -132.052 flat angles C4'-P-C4' energy: -157.184 flat angles P-C4'-P energy: -104.046 tors. eta vs tors. theta energy: -240.323 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: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2621.163668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.163668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.163668 (E_RNA) where: Base-Base interactions energy: -1860.867 where: short stacking energy: -729.985 Base-Backbone interact. energy: -2.403 local terms energy: -757.893829 where: bonds (distance) C4'-P energy: -135.372 bonds (distance) P-C4' energy: -148.071 flat angles C4'-P-C4' energy: -150.114 flat angles P-C4'-P energy: -111.268 tors. eta vs tors. theta energy: -213.068 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: 1 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2512.480440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.480440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.480440 (E_RNA) where: Base-Base interactions energy: -1784.208 where: short stacking energy: -731.537 Base-Backbone interact. energy: 0.433 local terms energy: -728.705344 where: bonds (distance) C4'-P energy: -136.422 bonds (distance) P-C4' energy: -125.713 flat angles C4'-P-C4' energy: -147.527 flat angles P-C4'-P energy: -95.461 tors. eta vs tors. theta energy: -223.583 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: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2439.752703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.752703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.752703 (E_RNA) where: Base-Base interactions energy: -1695.208 where: short stacking energy: -695.681 Base-Backbone interact. energy: -2.888 local terms energy: -741.657136 where: bonds (distance) C4'-P energy: -129.387 bonds (distance) P-C4' energy: -120.135 flat angles C4'-P-C4' energy: -156.642 flat angles P-C4'-P energy: -111.344 tors. eta vs tors. theta energy: -224.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2395.260663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.260663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.260663 (E_RNA) where: Base-Base interactions energy: -1688.628 where: short stacking energy: -686.918 Base-Backbone interact. energy: -2.314 local terms energy: -704.318478 where: bonds (distance) C4'-P energy: -108.404 bonds (distance) P-C4' energy: -127.836 flat angles C4'-P-C4' energy: -154.658 flat angles P-C4'-P energy: -97.985 tors. eta vs tors. theta energy: -215.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2318.265956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.265956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.265956 (E_RNA) where: Base-Base interactions energy: -1641.302 where: short stacking energy: -687.396 Base-Backbone interact. energy: -1.020 local terms energy: -675.944417 where: bonds (distance) C4'-P energy: -115.261 bonds (distance) P-C4' energy: -115.457 flat angles C4'-P-C4' energy: -137.718 flat angles P-C4'-P energy: -94.492 tors. eta vs tors. theta energy: -213.016 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: 7, replica: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2240.254832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.254832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.254832 (E_RNA) where: Base-Base interactions energy: -1614.902 where: short stacking energy: -652.024 Base-Backbone interact. energy: 0.937 local terms energy: -626.289340 where: bonds (distance) C4'-P energy: -100.021 bonds (distance) P-C4' energy: -112.988 flat angles C4'-P-C4' energy: -139.338 flat angles P-C4'-P energy: -71.520 tors. eta vs tors. theta energy: -202.423 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: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1723.805590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.805590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.805590 (E_RNA) where: Base-Base interactions energy: -1175.834 where: short stacking energy: -509.880 Base-Backbone interact. energy: -1.570 local terms energy: -546.402142 where: bonds (distance) C4'-P energy: -129.638 bonds (distance) P-C4' energy: -104.890 flat angles C4'-P-C4' energy: -102.515 flat angles P-C4'-P energy: -71.935 tors. eta vs tors. theta energy: -137.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1436.336077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.336077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.336077 (E_RNA) where: Base-Base interactions energy: -936.868 where: short stacking energy: -385.782 Base-Backbone interact. energy: 2.019 local terms energy: -501.487288 where: bonds (distance) C4'-P energy: -110.682 bonds (distance) P-C4' energy: -127.132 flat angles C4'-P-C4' energy: -116.719 flat angles P-C4'-P energy: -60.719 tors. eta vs tors. theta energy: -86.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1389.243343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.243343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.243343 (E_RNA) where: Base-Base interactions energy: -953.905 where: short stacking energy: -398.293 Base-Backbone interact. energy: -1.013 local terms energy: -434.325079 where: bonds (distance) C4'-P energy: -88.223 bonds (distance) P-C4' energy: -85.083 flat angles C4'-P-C4' energy: -107.825 flat angles P-C4'-P energy: -72.082 tors. eta vs tors. theta energy: -81.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2703.052136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.052136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.052136 (E_RNA) where: Base-Base interactions energy: -1905.175 where: short stacking energy: -778.309 Base-Backbone interact. energy: 1.499 local terms energy: -799.375965 where: bonds (distance) C4'-P energy: -133.463 bonds (distance) P-C4' energy: -137.915 flat angles C4'-P-C4' energy: -164.199 flat angles P-C4'-P energy: -123.023 tors. eta vs tors. theta energy: -240.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2626.994802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.994802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.994802 (E_RNA) where: Base-Base interactions energy: -1885.462 where: short stacking energy: -742.480 Base-Backbone interact. energy: -2.205 local terms energy: -739.327971 where: bonds (distance) C4'-P energy: -131.439 bonds (distance) P-C4' energy: -133.745 flat angles C4'-P-C4' energy: -146.765 flat angles P-C4'-P energy: -104.094 tors. eta vs tors. theta energy: -223.285 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: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2501.391348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.391348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.391348 (E_RNA) where: Base-Base interactions energy: -1790.719 where: short stacking energy: -727.474 Base-Backbone interact. energy: -1.318 local terms energy: -709.354342 where: bonds (distance) C4'-P energy: -119.714 bonds (distance) P-C4' energy: -126.001 flat angles C4'-P-C4' energy: -144.742 flat angles P-C4'-P energy: -101.947 tors. eta vs tors. theta energy: -216.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2533.529588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.529588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.529588 (E_RNA) where: Base-Base interactions energy: -1801.651 where: short stacking energy: -740.393 Base-Backbone interact. energy: 2.005 local terms energy: -733.883543 where: bonds (distance) C4'-P energy: -122.500 bonds (distance) P-C4' energy: -133.935 flat angles C4'-P-C4' energy: -154.265 flat angles P-C4'-P energy: -95.946 tors. eta vs tors. theta energy: -227.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2401.273827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.273827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.273827 (E_RNA) where: Base-Base interactions energy: -1695.550 where: short stacking energy: -683.128 Base-Backbone interact. energy: -2.888 local terms energy: -702.835635 where: bonds (distance) C4'-P energy: -106.047 bonds (distance) P-C4' energy: -129.191 flat angles C4'-P-C4' energy: -145.307 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -222.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2299.688822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.688822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.688822 (E_RNA) where: Base-Base interactions energy: -1630.646 where: short stacking energy: -698.410 Base-Backbone interact. energy: 1.330 local terms energy: -670.372704 where: bonds (distance) C4'-P energy: -103.761 bonds (distance) P-C4' energy: -114.483 flat angles C4'-P-C4' energy: -143.217 flat angles P-C4'-P energy: -93.858 tors. eta vs tors. theta energy: -215.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2247.087849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.087849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.087849 (E_RNA) where: Base-Base interactions energy: -1583.478 where: short stacking energy: -660.079 Base-Backbone interact. energy: -1.063 local terms energy: -662.546728 where: bonds (distance) C4'-P energy: -123.039 bonds (distance) P-C4' energy: -119.488 flat angles C4'-P-C4' energy: -124.480 flat angles P-C4'-P energy: -83.474 tors. eta vs tors. theta energy: -212.065 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: 318 Temperature: 1.250000 Total energy: -1732.237895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.237895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.237895 (E_RNA) where: Base-Base interactions energy: -1188.781 where: short stacking energy: -521.696 Base-Backbone interact. energy: 1.350 local terms energy: -544.806188 where: bonds (distance) C4'-P energy: -111.683 bonds (distance) P-C4' energy: -121.077 flat angles C4'-P-C4' energy: -116.504 flat angles P-C4'-P energy: -70.602 tors. eta vs tors. theta energy: -124.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1485.577197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.577197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.577197 (E_RNA) where: Base-Base interactions energy: -977.935 where: short stacking energy: -433.793 Base-Backbone interact. energy: -1.561 local terms energy: -506.081608 where: bonds (distance) C4'-P energy: -112.918 bonds (distance) P-C4' energy: -110.968 flat angles C4'-P-C4' energy: -115.347 flat angles P-C4'-P energy: -72.351 tors. eta vs tors. theta energy: -94.497 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: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1397.647825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.647825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.647825 (E_RNA) where: Base-Base interactions energy: -979.035 where: short stacking energy: -410.141 Base-Backbone interact. energy: 0.155 local terms energy: -418.768391 where: bonds (distance) C4'-P energy: -75.799 bonds (distance) P-C4' energy: -104.220 flat angles C4'-P-C4' energy: -118.377 flat angles P-C4'-P energy: -41.115 tors. eta vs tors. theta energy: -79.258 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: 319 Temperature: 0.900000 Total energy: -2673.975903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.975903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.975903 (E_RNA) where: Base-Base interactions energy: -1915.295 where: short stacking energy: -794.475 Base-Backbone interact. energy: -1.379 local terms energy: -757.301896 where: bonds (distance) C4'-P energy: -128.137 bonds (distance) P-C4' energy: -114.421 flat angles C4'-P-C4' energy: -156.636 flat angles P-C4'-P energy: -108.172 tors. eta vs tors. theta energy: -249.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2625.156844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.156844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.156844 (E_RNA) where: Base-Base interactions energy: -1878.606 where: short stacking energy: -741.169 Base-Backbone interact. energy: -3.103 local terms energy: -743.447148 where: bonds (distance) C4'-P energy: -125.713 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -166.500 flat angles P-C4'-P energy: -104.104 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: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2524.888904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.888904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.888904 (E_RNA) where: Base-Base interactions energy: -1802.670 where: short stacking energy: -742.866 Base-Backbone interact. energy: -2.390 local terms energy: -719.828469 where: bonds (distance) C4'-P energy: -122.175 bonds (distance) P-C4' energy: -118.997 flat angles C4'-P-C4' energy: -162.385 flat angles P-C4'-P energy: -105.450 tors. eta vs tors. theta energy: -210.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2542.434559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.434559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.434559 (E_RNA) where: Base-Base interactions energy: -1800.153 where: short stacking energy: -744.929 Base-Backbone interact. energy: -4.050 local terms energy: -738.231378 where: bonds (distance) C4'-P energy: -121.038 bonds (distance) P-C4' energy: -130.448 flat angles C4'-P-C4' energy: -149.894 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -232.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2419.608583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.608583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.608583 (E_RNA) where: Base-Base interactions energy: -1689.895 where: short stacking energy: -727.979 Base-Backbone interact. energy: -2.004 local terms energy: -727.709360 where: bonds (distance) C4'-P energy: -128.020 bonds (distance) P-C4' energy: -137.018 flat angles C4'-P-C4' energy: -147.704 flat angles P-C4'-P energy: -97.859 tors. eta vs tors. theta energy: -217.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2287.332811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.332811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.332811 (E_RNA) where: Base-Base interactions energy: -1627.875 where: short stacking energy: -665.953 Base-Backbone interact. energy: -1.229 local terms energy: -658.228366 where: bonds (distance) C4'-P energy: -98.827 bonds (distance) P-C4' energy: -116.402 flat angles C4'-P-C4' energy: -142.241 flat angles P-C4'-P energy: -93.767 tors. eta vs tors. theta energy: -206.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2269.997737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.997737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.997737 (E_RNA) where: Base-Base interactions energy: -1601.089 where: short stacking energy: -654.351 Base-Backbone interact. energy: -1.806 local terms energy: -667.103611 where: bonds (distance) C4'-P energy: -112.171 bonds (distance) P-C4' energy: -113.242 flat angles C4'-P-C4' energy: -141.143 flat angles P-C4'-P energy: -90.349 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: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1718.381968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.381968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.381968 (E_RNA) where: Base-Base interactions energy: -1190.389 where: short stacking energy: -502.915 Base-Backbone interact. energy: -2.129 local terms energy: -525.864359 where: bonds (distance) C4'-P energy: -79.094 bonds (distance) P-C4' energy: -122.128 flat angles C4'-P-C4' energy: -130.047 flat angles P-C4'-P energy: -77.988 tors. eta vs tors. theta energy: -116.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1423.975566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.975566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.975566 (E_RNA) where: Base-Base interactions energy: -941.014 where: short stacking energy: -391.101 Base-Backbone interact. energy: -1.539 local terms energy: -481.422364 where: bonds (distance) C4'-P energy: -101.394 bonds (distance) P-C4' energy: -123.070 flat angles C4'-P-C4' energy: -103.798 flat angles P-C4'-P energy: -70.388 tors. eta vs tors. theta energy: -82.772 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: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1375.038547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.038547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.038547 (E_RNA) where: Base-Base interactions energy: -921.236 where: short stacking energy: -381.021 Base-Backbone interact. energy: 1.339 local terms energy: -455.141562 where: bonds (distance) C4'-P energy: -98.220 bonds (distance) P-C4' energy: -117.752 flat angles C4'-P-C4' energy: -92.140 flat angles P-C4'-P energy: -66.284 tors. eta vs tors. theta energy: -80.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2678.140288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.140288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.140288 (E_RNA) where: Base-Base interactions energy: -1905.121 where: short stacking energy: -780.146 Base-Backbone interact. energy: 0.066 local terms energy: -773.085181 where: bonds (distance) C4'-P energy: -144.668 bonds (distance) P-C4' energy: -123.653 flat angles C4'-P-C4' energy: -156.149 flat angles P-C4'-P energy: -111.332 tors. eta vs tors. theta energy: -237.283 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: 320 Temperature: 0.950000 Total energy: -2620.995863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.995863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.995863 (E_RNA) where: Base-Base interactions energy: -1883.119 where: short stacking energy: -724.124 Base-Backbone interact. energy: 0.158 local terms energy: -738.035074 where: bonds (distance) C4'-P energy: -115.220 bonds (distance) P-C4' energy: -125.616 flat angles C4'-P-C4' energy: -156.394 flat angles P-C4'-P energy: -121.440 tors. eta vs tors. theta energy: -219.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2570.378920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.378920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.378920 (E_RNA) where: Base-Base interactions energy: -1818.201 where: short stacking energy: -760.011 Base-Backbone interact. energy: -1.397 local terms energy: -750.780831 where: bonds (distance) C4'-P energy: -133.630 bonds (distance) P-C4' energy: -121.726 flat angles C4'-P-C4' energy: -151.979 flat angles P-C4'-P energy: -112.641 tors. eta vs tors. theta energy: -230.805 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: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2450.220364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.220364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.220364 (E_RNA) where: Base-Base interactions energy: -1755.322 where: short stacking energy: -713.643 Base-Backbone interact. energy: -2.704 local terms energy: -692.194274 where: bonds (distance) C4'-P energy: -122.434 bonds (distance) P-C4' energy: -112.489 flat angles C4'-P-C4' energy: -140.172 flat angles P-C4'-P energy: -103.811 tors. eta vs tors. theta energy: -213.287 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: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2438.925343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.925343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.925343 (E_RNA) where: Base-Base interactions energy: -1722.906 where: short stacking energy: -707.017 Base-Backbone interact. energy: -1.182 local terms energy: -714.837253 where: bonds (distance) C4'-P energy: -116.492 bonds (distance) P-C4' energy: -115.022 flat angles C4'-P-C4' energy: -144.141 flat angles P-C4'-P energy: -115.208 tors. eta vs tors. theta energy: -223.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2310.999491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.999491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.999491 (E_RNA) where: Base-Base interactions energy: -1616.172 where: short stacking energy: -682.343 Base-Backbone interact. energy: -1.358 local terms energy: -693.468704 where: bonds (distance) C4'-P energy: -119.218 bonds (distance) P-C4' energy: -119.345 flat angles C4'-P-C4' energy: -146.452 flat angles P-C4'-P energy: -90.854 tors. eta vs tors. theta energy: -217.600 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: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2270.215449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.215449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.215449 (E_RNA) where: Base-Base interactions energy: -1605.693 where: short stacking energy: -633.746 Base-Backbone interact. energy: -1.396 local terms energy: -663.126587 where: bonds (distance) C4'-P energy: -89.808 bonds (distance) P-C4' energy: -133.460 flat angles C4'-P-C4' energy: -128.992 flat angles P-C4'-P energy: -98.997 tors. eta vs tors. theta energy: -211.870 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: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1732.780438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.780438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.780438 (E_RNA) where: Base-Base interactions energy: -1185.056 where: short stacking energy: -492.051 Base-Backbone interact. energy: -1.054 local terms energy: -546.670543 where: bonds (distance) C4'-P energy: -129.920 bonds (distance) P-C4' energy: -114.863 flat angles C4'-P-C4' energy: -117.586 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -113.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1496.765127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.765127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.765127 (E_RNA) where: Base-Base interactions energy: -1028.861 where: short stacking energy: -434.158 Base-Backbone interact. energy: 0.056 local terms energy: -467.961026 where: bonds (distance) C4'-P energy: -100.916 bonds (distance) P-C4' energy: -97.202 flat angles C4'-P-C4' energy: -107.213 flat angles P-C4'-P energy: -70.764 tors. eta vs tors. theta energy: -91.866 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: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1389.408571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.408571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.408571 (E_RNA) where: Base-Base interactions energy: -934.144 where: short stacking energy: -404.474 Base-Backbone interact. energy: 0.588 local terms energy: -455.852546 where: bonds (distance) C4'-P energy: -103.744 bonds (distance) P-C4' energy: -102.417 flat angles C4'-P-C4' energy: -110.707 flat angles P-C4'-P energy: -69.615 tors. eta vs tors. theta energy: -69.369 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: 321 Temperature: 0.900000 Total energy: -2692.136624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.136624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.136624 (E_RNA) where: Base-Base interactions energy: -1899.495 where: short stacking energy: -774.069 Base-Backbone interact. energy: -0.867 local terms energy: -791.774186 where: bonds (distance) C4'-P energy: -136.640 bonds (distance) P-C4' energy: -138.561 flat angles C4'-P-C4' energy: -168.134 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -246.663 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: 321 Temperature: 0.950000 Total energy: -2641.232381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.232381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.232381 (E_RNA) where: Base-Base interactions energy: -1877.939 where: short stacking energy: -729.903 Base-Backbone interact. energy: -4.074 local terms energy: -759.219831 where: bonds (distance) C4'-P energy: -131.226 bonds (distance) P-C4' energy: -137.381 flat angles C4'-P-C4' energy: -168.857 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -218.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2537.021555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.021555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.021555 (E_RNA) where: Base-Base interactions energy: -1800.774 where: short stacking energy: -748.884 Base-Backbone interact. energy: -3.577 local terms energy: -732.670900 where: bonds (distance) C4'-P energy: -118.490 bonds (distance) P-C4' energy: -129.166 flat angles C4'-P-C4' energy: -148.423 flat angles P-C4'-P energy: -98.634 tors. eta vs tors. theta energy: -237.957 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: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2490.403976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.403976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.403976 (E_RNA) where: Base-Base interactions energy: -1763.163 where: short stacking energy: -700.456 Base-Backbone interact. energy: -3.924 local terms energy: -723.317060 where: bonds (distance) C4'-P energy: -135.555 bonds (distance) P-C4' energy: -132.014 flat angles C4'-P-C4' energy: -141.554 flat angles P-C4'-P energy: -100.348 tors. eta vs tors. theta energy: -213.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2392.240360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.240360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.240360 (E_RNA) where: Base-Base interactions energy: -1689.377 where: short stacking energy: -687.806 Base-Backbone interact. energy: -1.445 local terms energy: -701.418459 where: bonds (distance) C4'-P energy: -114.399 bonds (distance) P-C4' energy: -129.047 flat angles C4'-P-C4' energy: -144.666 flat angles P-C4'-P energy: -100.361 tors. eta vs tors. theta energy: -212.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2315.058088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.058088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.058088 (E_RNA) where: Base-Base interactions energy: -1612.021 where: short stacking energy: -699.674 Base-Backbone interact. energy: -1.097 local terms energy: -701.939980 where: bonds (distance) C4'-P energy: -105.711 bonds (distance) P-C4' energy: -119.454 flat angles C4'-P-C4' energy: -146.719 flat angles P-C4'-P energy: -110.930 tors. eta vs tors. theta energy: -219.126 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: 321 Temperature: 1.200000 Total energy: -2258.931170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.931170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.931170 (E_RNA) where: Base-Base interactions energy: -1618.564 where: short stacking energy: -664.943 Base-Backbone interact. energy: -0.962 local terms energy: -639.405871 where: bonds (distance) C4'-P energy: -103.061 bonds (distance) P-C4' energy: -107.054 flat angles C4'-P-C4' energy: -133.911 flat angles P-C4'-P energy: -85.374 tors. eta vs tors. theta energy: -210.006 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: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1721.712725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.712725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.712725 (E_RNA) where: Base-Base interactions energy: -1190.174 where: short stacking energy: -490.144 Base-Backbone interact. energy: -1.047 local terms energy: -530.491676 where: bonds (distance) C4'-P energy: -98.556 bonds (distance) P-C4' energy: -108.250 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -70.762 tors. eta vs tors. theta energy: -134.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1535.381582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.381582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.381582 (E_RNA) where: Base-Base interactions energy: -1062.241 where: short stacking energy: -462.280 Base-Backbone interact. energy: -1.495 local terms energy: -471.645988 where: bonds (distance) C4'-P energy: -115.362 bonds (distance) P-C4' energy: -84.108 flat angles C4'-P-C4' energy: -106.773 flat angles P-C4'-P energy: -75.258 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: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1416.298882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.298882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.298882 (E_RNA) where: Base-Base interactions energy: -943.390 where: short stacking energy: -410.731 Base-Backbone interact. energy: -2.706 local terms energy: -470.202433 where: bonds (distance) C4'-P energy: -82.911 bonds (distance) P-C4' energy: -110.507 flat angles C4'-P-C4' energy: -133.211 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -65.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2664.768527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.768527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.768527 (E_RNA) where: Base-Base interactions energy: -1906.297 where: short stacking energy: -743.965 Base-Backbone interact. energy: -0.577 local terms energy: -757.894972 where: bonds (distance) C4'-P energy: -130.165 bonds (distance) P-C4' energy: -136.848 flat angles C4'-P-C4' energy: -166.428 flat angles P-C4'-P energy: -98.184 tors. eta vs tors. theta energy: -226.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2634.776587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.776587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.776587 (E_RNA) where: Base-Base interactions energy: -1866.962 where: short stacking energy: -776.109 Base-Backbone interact. energy: -2.453 local terms energy: -765.362112 where: bonds (distance) C4'-P energy: -129.867 bonds (distance) P-C4' energy: -129.537 flat angles C4'-P-C4' energy: -155.522 flat angles P-C4'-P energy: -104.168 tors. eta vs tors. theta energy: -246.268 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: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2557.884844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.884844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.884844 (E_RNA) where: Base-Base interactions energy: -1808.835 where: short stacking energy: -755.378 Base-Backbone interact. energy: -1.636 local terms energy: -747.413412 where: bonds (distance) C4'-P energy: -132.323 bonds (distance) P-C4' energy: -125.629 flat angles C4'-P-C4' energy: -153.905 flat angles P-C4'-P energy: -99.701 tors. eta vs tors. theta energy: -235.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2471.119589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.119589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.119589 (E_RNA) where: Base-Base interactions energy: -1741.439 where: short stacking energy: -707.394 Base-Backbone interact. energy: -2.616 local terms energy: -727.064348 where: bonds (distance) C4'-P energy: -125.892 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -153.809 flat angles P-C4'-P energy: -104.376 tors. eta vs tors. theta energy: -212.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2387.455560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.455560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.455560 (E_RNA) where: Base-Base interactions energy: -1648.557 where: short stacking energy: -677.604 Base-Backbone interact. energy: -1.941 local terms energy: -736.957200 where: bonds (distance) C4'-P energy: -122.836 bonds (distance) P-C4' energy: -134.608 flat angles C4'-P-C4' energy: -143.701 flat angles P-C4'-P energy: -110.772 tors. eta vs tors. theta energy: -225.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2286.346801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.346801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.346801 (E_RNA) where: Base-Base interactions energy: -1612.593 where: short stacking energy: -655.478 Base-Backbone interact. energy: -1.058 local terms energy: -672.695648 where: bonds (distance) C4'-P energy: -113.147 bonds (distance) P-C4' energy: -108.850 flat angles C4'-P-C4' energy: -138.947 flat angles P-C4'-P energy: -96.657 tors. eta vs tors. theta energy: -215.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2215.858796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.858796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.858796 (E_RNA) where: Base-Base interactions energy: -1578.665 where: short stacking energy: -651.590 Base-Backbone interact. energy: -1.769 local terms energy: -635.424615 where: bonds (distance) C4'-P energy: -114.286 bonds (distance) P-C4' energy: -111.481 flat angles C4'-P-C4' energy: -133.307 flat angles P-C4'-P energy: -80.649 tors. eta vs tors. theta energy: -195.701 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: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1724.757554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.757554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.757554 (E_RNA) where: Base-Base interactions energy: -1156.020 where: short stacking energy: -501.520 Base-Backbone interact. energy: -0.087 local terms energy: -568.651206 where: bonds (distance) C4'-P energy: -106.744 bonds (distance) P-C4' energy: -106.492 flat angles C4'-P-C4' energy: -132.230 flat angles P-C4'-P energy: -84.700 tors. eta vs tors. theta energy: -138.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1532.162318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.162318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.162318 (E_RNA) where: Base-Base interactions energy: -1042.881 where: short stacking energy: -430.887 Base-Backbone interact. energy: -3.829 local terms energy: -485.452020 where: bonds (distance) C4'-P energy: -105.724 bonds (distance) P-C4' energy: -121.107 flat angles C4'-P-C4' energy: -108.762 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: -86.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1315.824939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.824939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.824939 (E_RNA) where: Base-Base interactions energy: -909.964 where: short stacking energy: -393.873 Base-Backbone interact. energy: -0.246 local terms energy: -405.615546 where: bonds (distance) C4'-P energy: -92.317 bonds (distance) P-C4' energy: -90.945 flat angles C4'-P-C4' energy: -85.821 flat angles P-C4'-P energy: -68.541 tors. eta vs tors. theta energy: -67.992 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: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2675.373947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.373947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.373947 (E_RNA) where: Base-Base interactions energy: -1942.530 where: short stacking energy: -768.273 Base-Backbone interact. energy: 2.650 local terms energy: -735.494339 where: bonds (distance) C4'-P energy: -106.192 bonds (distance) P-C4' energy: -129.978 flat angles C4'-P-C4' energy: -158.721 flat angles P-C4'-P energy: -115.955 tors. eta vs tors. theta energy: -224.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2656.504755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.504755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.504755 (E_RNA) where: Base-Base interactions energy: -1907.447 where: short stacking energy: -763.206 Base-Backbone interact. energy: -0.790 local terms energy: -748.267412 where: bonds (distance) C4'-P energy: -131.534 bonds (distance) P-C4' energy: -125.535 flat angles C4'-P-C4' energy: -151.328 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -236.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2566.474335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.474335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.474335 (E_RNA) where: Base-Base interactions energy: -1820.011 where: short stacking energy: -753.404 Base-Backbone interact. energy: -2.492 local terms energy: -743.971907 where: bonds (distance) C4'-P energy: -122.439 bonds (distance) P-C4' energy: -134.993 flat angles C4'-P-C4' energy: -152.723 flat angles P-C4'-P energy: -104.015 tors. eta vs tors. theta energy: -229.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2479.513495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.513495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.513495 (E_RNA) where: Base-Base interactions energy: -1755.694 where: short stacking energy: -710.540 Base-Backbone interact. energy: -1.170 local terms energy: -722.649630 where: bonds (distance) C4'-P energy: -130.771 bonds (distance) P-C4' energy: -120.002 flat angles C4'-P-C4' energy: -150.506 flat angles P-C4'-P energy: -101.677 tors. eta vs tors. theta energy: -219.695 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: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2401.196876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.196876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.196876 (E_RNA) where: Base-Base interactions energy: -1671.119 where: short stacking energy: -700.527 Base-Backbone interact. energy: -2.370 local terms energy: -727.707552 where: bonds (distance) C4'-P energy: -127.937 bonds (distance) P-C4' energy: -129.372 flat angles C4'-P-C4' energy: -146.667 flat angles P-C4'-P energy: -97.973 tors. eta vs tors. theta energy: -225.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2340.643871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.643871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.643871 (E_RNA) where: Base-Base interactions energy: -1667.107 where: short stacking energy: -696.294 Base-Backbone interact. energy: -0.575 local terms energy: -672.961780 where: bonds (distance) C4'-P energy: -126.003 bonds (distance) P-C4' energy: -99.643 flat angles C4'-P-C4' energy: -143.500 flat angles P-C4'-P energy: -89.187 tors. eta vs tors. theta energy: -214.629 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: 7, replica: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2239.101778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.101778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.101778 (E_RNA) where: Base-Base interactions energy: -1589.074 where: short stacking energy: -636.293 Base-Backbone interact. energy: 0.617 local terms energy: -650.644764 where: bonds (distance) C4'-P energy: -109.732 bonds (distance) P-C4' energy: -105.549 flat angles C4'-P-C4' energy: -129.040 flat angles P-C4'-P energy: -106.223 tors. eta vs tors. theta energy: -200.101 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: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1762.471682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.471682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.471682 (E_RNA) where: Base-Base interactions energy: -1199.990 where: short stacking energy: -506.763 Base-Backbone interact. energy: 1.659 local terms energy: -564.140658 where: bonds (distance) C4'-P energy: -98.098 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -126.744 flat angles P-C4'-P energy: -76.602 tors. eta vs tors. theta energy: -141.579 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: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1525.882655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.882655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.882655 (E_RNA) where: Base-Base interactions energy: -1052.563 where: short stacking energy: -458.150 Base-Backbone interact. energy: 8.735 local terms energy: -482.054519 where: bonds (distance) C4'-P energy: -98.168 bonds (distance) P-C4' energy: -92.225 flat angles C4'-P-C4' energy: -126.729 flat angles P-C4'-P energy: -57.499 tors. eta vs tors. theta energy: -107.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1384.615438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.615438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.615438 (E_RNA) where: Base-Base interactions energy: -930.711 where: short stacking energy: -385.666 Base-Backbone interact. energy: 1.361 local terms energy: -455.265607 where: bonds (distance) C4'-P energy: -93.464 bonds (distance) P-C4' energy: -117.113 flat angles C4'-P-C4' energy: -123.353 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -77.661 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: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2696.481248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.481248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.481248 (E_RNA) where: Base-Base interactions energy: -1919.951 where: short stacking energy: -736.884 Base-Backbone interact. energy: -1.846 local terms energy: -774.683728 where: bonds (distance) C4'-P energy: -141.449 bonds (distance) P-C4' energy: -124.189 flat angles C4'-P-C4' energy: -168.856 flat angles P-C4'-P energy: -118.677 tors. eta vs tors. theta energy: -221.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2680.492552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.492552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.492552 (E_RNA) where: Base-Base interactions energy: -1897.539 where: short stacking energy: -788.093 Base-Backbone interact. energy: -1.984 local terms energy: -780.970227 where: bonds (distance) C4'-P energy: -122.775 bonds (distance) P-C4' energy: -140.135 flat angles C4'-P-C4' energy: -155.981 flat angles P-C4'-P energy: -118.931 tors. eta vs tors. theta energy: -243.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2550.681829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.681829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.681829 (E_RNA) where: Base-Base interactions energy: -1808.211 where: short stacking energy: -724.177 Base-Backbone interact. energy: -1.477 local terms energy: -740.993256 where: bonds (distance) C4'-P energy: -130.363 bonds (distance) P-C4' energy: -120.447 flat angles C4'-P-C4' energy: -160.039 flat angles P-C4'-P energy: -100.226 tors. eta vs tors. theta energy: -229.919 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: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2469.597047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.597047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.597047 (E_RNA) where: Base-Base interactions energy: -1754.787 where: short stacking energy: -712.160 Base-Backbone interact. energy: -2.335 local terms energy: -712.474992 where: bonds (distance) C4'-P energy: -119.192 bonds (distance) P-C4' energy: -144.432 flat angles C4'-P-C4' energy: -144.706 flat angles P-C4'-P energy: -97.929 tors. eta vs tors. theta energy: -206.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2398.758560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.758560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.758560 (E_RNA) where: Base-Base interactions energy: -1689.257 where: short stacking energy: -705.592 Base-Backbone interact. energy: -1.522 local terms energy: -707.980001 where: bonds (distance) C4'-P energy: -113.151 bonds (distance) P-C4' energy: -123.906 flat angles C4'-P-C4' energy: -151.467 flat angles P-C4'-P energy: -95.313 tors. eta vs tors. theta energy: -224.142 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: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2305.879556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.879556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.879556 (E_RNA) where: Base-Base interactions energy: -1652.850 where: short stacking energy: -690.553 Base-Backbone interact. energy: 1.413 local terms energy: -654.443370 where: bonds (distance) C4'-P energy: -97.318 bonds (distance) P-C4' energy: -104.813 flat angles C4'-P-C4' energy: -153.558 flat angles P-C4'-P energy: -83.390 tors. eta vs tors. theta energy: -215.365 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: 324 Temperature: 1.200000 Total energy: -2260.083775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.083775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.083775 (E_RNA) where: Base-Base interactions energy: -1597.846 where: short stacking energy: -686.990 Base-Backbone interact. energy: -0.529 local terms energy: -661.708036 where: bonds (distance) C4'-P energy: -114.238 bonds (distance) P-C4' energy: -119.990 flat angles C4'-P-C4' energy: -136.449 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: -215.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1859.341897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.341897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.341897 (E_RNA) where: Base-Base interactions energy: -1262.766 where: short stacking energy: -556.398 Base-Backbone interact. energy: -0.783 local terms energy: -595.792403 where: bonds (distance) C4'-P energy: -104.543 bonds (distance) P-C4' energy: -116.146 flat angles C4'-P-C4' energy: -123.827 flat angles P-C4'-P energy: -93.266 tors. eta vs tors. theta energy: -158.011 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: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1448.050823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.050823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.050823 (E_RNA) where: Base-Base interactions energy: -942.135 where: short stacking energy: -406.506 Base-Backbone interact. energy: -0.851 local terms energy: -505.064253 where: bonds (distance) C4'-P energy: -112.045 bonds (distance) P-C4' energy: -122.611 flat angles C4'-P-C4' energy: -115.913 flat angles P-C4'-P energy: -70.652 tors. eta vs tors. theta energy: -83.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1370.979204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.979204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.979204 (E_RNA) where: Base-Base interactions energy: -903.155 where: short stacking energy: -359.305 Base-Backbone interact. energy: 1.511 local terms energy: -469.335336 where: bonds (distance) C4'-P energy: -106.393 bonds (distance) P-C4' energy: -118.596 flat angles C4'-P-C4' energy: -110.917 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -69.412 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: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2697.381814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.381814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.381814 (E_RNA) where: Base-Base interactions energy: -1928.707 where: short stacking energy: -752.863 Base-Backbone interact. energy: -2.074 local terms energy: -766.600779 where: bonds (distance) C4'-P energy: -135.047 bonds (distance) P-C4' energy: -139.383 flat angles C4'-P-C4' energy: -164.313 flat angles P-C4'-P energy: -102.503 tors. eta vs tors. theta energy: -225.354 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: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2653.149185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.149185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.149185 (E_RNA) where: Base-Base interactions energy: -1881.779 where: short stacking energy: -787.332 Base-Backbone interact. energy: -2.377 local terms energy: -768.993284 where: bonds (distance) C4'-P energy: -136.337 bonds (distance) P-C4' energy: -116.382 flat angles C4'-P-C4' energy: -153.816 flat angles P-C4'-P energy: -119.829 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: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2566.095810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.095810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.095810 (E_RNA) where: Base-Base interactions energy: -1835.891 where: short stacking energy: -751.763 Base-Backbone interact. energy: -2.549 local terms energy: -727.655788 where: bonds (distance) C4'-P energy: -130.151 bonds (distance) P-C4' energy: -121.092 flat angles C4'-P-C4' energy: -146.360 flat angles P-C4'-P energy: -97.265 tors. eta vs tors. theta energy: -232.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2492.992466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.992466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.992466 (E_RNA) where: Base-Base interactions energy: -1758.488 where: short stacking energy: -719.540 Base-Backbone interact. energy: -2.735 local terms energy: -731.769650 where: bonds (distance) C4'-P energy: -125.891 bonds (distance) P-C4' energy: -129.236 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -109.157 tors. eta vs tors. theta energy: -227.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2414.822809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.822809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.822809 (E_RNA) where: Base-Base interactions energy: -1699.778 where: short stacking energy: -719.993 Base-Backbone interact. energy: -1.362 local terms energy: -713.682497 where: bonds (distance) C4'-P energy: -123.114 bonds (distance) P-C4' energy: -113.987 flat angles C4'-P-C4' energy: -154.083 flat angles P-C4'-P energy: -95.784 tors. eta vs tors. theta energy: -226.714 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: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2326.860268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.860268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.860268 (E_RNA) where: Base-Base interactions energy: -1641.501 where: short stacking energy: -692.288 Base-Backbone interact. energy: 0.691 local terms energy: -686.050638 where: bonds (distance) C4'-P energy: -129.961 bonds (distance) P-C4' energy: -116.849 flat angles C4'-P-C4' energy: -137.400 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -214.174 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: 2 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2235.512734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.512734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.512734 (E_RNA) where: Base-Base interactions energy: -1587.195 where: short stacking energy: -646.077 Base-Backbone interact. energy: -1.271 local terms energy: -647.046826 where: bonds (distance) C4'-P energy: -112.724 bonds (distance) P-C4' energy: -107.044 flat angles C4'-P-C4' energy: -135.135 flat angles P-C4'-P energy: -91.567 tors. eta vs tors. theta energy: -200.577 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: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1759.232733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.232733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.232733 (E_RNA) where: Base-Base interactions energy: -1217.454 where: short stacking energy: -507.529 Base-Backbone interact. energy: -0.784 local terms energy: -540.994580 where: bonds (distance) C4'-P energy: -91.040 bonds (distance) P-C4' energy: -109.732 flat angles C4'-P-C4' energy: -126.393 flat angles P-C4'-P energy: -86.755 tors. eta vs tors. theta energy: -127.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1440.731056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.731056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.731056 (E_RNA) where: Base-Base interactions energy: -976.713 where: short stacking energy: -423.450 Base-Backbone interact. energy: -1.749 local terms energy: -462.269098 where: bonds (distance) C4'-P energy: -101.193 bonds (distance) P-C4' energy: -114.532 flat angles C4'-P-C4' energy: -103.982 flat angles P-C4'-P energy: -58.512 tors. eta vs tors. theta energy: -84.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1311.656169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.656169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.656169 (E_RNA) where: Base-Base interactions energy: -873.994 where: short stacking energy: -351.937 Base-Backbone interact. energy: -3.650 local terms energy: -434.012457 where: bonds (distance) C4'-P energy: -82.651 bonds (distance) P-C4' energy: -113.563 flat angles C4'-P-C4' energy: -96.152 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: -78.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2673.743239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.743239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.743239 (E_RNA) where: Base-Base interactions energy: -1917.567 where: short stacking energy: -750.240 Base-Backbone interact. energy: 2.804 local terms energy: -758.980171 where: bonds (distance) C4'-P energy: -131.401 bonds (distance) P-C4' energy: -143.911 flat angles C4'-P-C4' energy: -159.639 flat angles P-C4'-P energy: -99.748 tors. eta vs tors. theta energy: -224.281 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: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2641.285218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.285218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.285218 (E_RNA) where: Base-Base interactions energy: -1891.006 where: short stacking energy: -788.216 Base-Backbone interact. energy: -1.719 local terms energy: -748.559857 where: bonds (distance) C4'-P energy: -129.503 bonds (distance) P-C4' energy: -115.513 flat angles C4'-P-C4' energy: -157.063 flat angles P-C4'-P energy: -111.428 tors. eta vs tors. theta energy: -235.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2573.419235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.419235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.419235 (E_RNA) where: Base-Base interactions energy: -1821.190 where: short stacking energy: -725.431 Base-Backbone interact. energy: -1.361 local terms energy: -750.868524 where: bonds (distance) C4'-P energy: -132.650 bonds (distance) P-C4' energy: -128.876 flat angles C4'-P-C4' energy: -150.582 flat angles P-C4'-P energy: -107.863 tors. eta vs tors. theta energy: -230.899 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: 326 Temperature: 1.050000 Total energy: -2458.149769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.149769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.149769 (E_RNA) where: Base-Base interactions energy: -1758.156 where: short stacking energy: -712.783 Base-Backbone interact. energy: -1.992 local terms energy: -698.001251 where: bonds (distance) C4'-P energy: -109.574 bonds (distance) P-C4' energy: -118.398 flat angles C4'-P-C4' energy: -149.098 flat angles P-C4'-P energy: -96.929 tors. eta vs tors. theta energy: -224.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2426.008358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.008358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.008358 (E_RNA) where: Base-Base interactions energy: -1738.584 where: short stacking energy: -718.171 Base-Backbone interact. energy: -0.766 local terms energy: -686.658303 where: bonds (distance) C4'-P energy: -108.225 bonds (distance) P-C4' energy: -113.614 flat angles C4'-P-C4' energy: -143.595 flat angles P-C4'-P energy: -100.457 tors. eta vs tors. theta energy: -220.767 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: 326 Temperature: 1.150000 Total energy: -2288.356210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.356210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.356210 (E_RNA) where: Base-Base interactions energy: -1628.286 where: short stacking energy: -674.409 Base-Backbone interact. energy: -2.765 local terms energy: -657.305819 where: bonds (distance) C4'-P energy: -109.226 bonds (distance) P-C4' energy: -109.757 flat angles C4'-P-C4' energy: -135.286 flat angles P-C4'-P energy: -93.734 tors. eta vs tors. theta energy: -209.303 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: 326 Temperature: 1.200000 Total energy: -2274.723971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.723971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.723971 (E_RNA) where: Base-Base interactions energy: -1599.705 where: short stacking energy: -657.490 Base-Backbone interact. energy: -0.305 local terms energy: -674.713944 where: bonds (distance) C4'-P energy: -115.398 bonds (distance) P-C4' energy: -108.337 flat angles C4'-P-C4' energy: -140.184 flat angles P-C4'-P energy: -105.082 tors. eta vs tors. theta energy: -205.713 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: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1761.906422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.906422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.906422 (E_RNA) where: Base-Base interactions energy: -1203.952 where: short stacking energy: -478.343 Base-Backbone interact. energy: -2.132 local terms energy: -555.822466 where: bonds (distance) C4'-P energy: -111.135 bonds (distance) P-C4' energy: -108.439 flat angles C4'-P-C4' energy: -123.829 flat angles P-C4'-P energy: -93.024 tors. eta vs tors. theta energy: -119.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1465.193149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.193149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.193149 (E_RNA) where: Base-Base interactions energy: -988.164 where: short stacking energy: -421.032 Base-Backbone interact. energy: -2.149 local terms energy: -474.879606 where: bonds (distance) C4'-P energy: -95.388 bonds (distance) P-C4' energy: -94.443 flat angles C4'-P-C4' energy: -102.254 flat angles P-C4'-P energy: -82.525 tors. eta vs tors. theta energy: -100.270 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: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1357.301528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.301528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.301528 (E_RNA) where: Base-Base interactions energy: -911.375 where: short stacking energy: -377.770 Base-Backbone interact. energy: -1.951 local terms energy: -443.975705 where: bonds (distance) C4'-P energy: -103.537 bonds (distance) P-C4' energy: -100.197 flat angles C4'-P-C4' energy: -108.783 flat angles P-C4'-P energy: -64.223 tors. eta vs tors. theta energy: -67.235 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: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2692.074019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.074019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.074019 (E_RNA) where: Base-Base interactions energy: -1938.707 where: short stacking energy: -763.117 Base-Backbone interact. energy: 0.808 local terms energy: -754.174962 where: bonds (distance) C4'-P energy: -140.325 bonds (distance) P-C4' energy: -115.325 flat angles C4'-P-C4' energy: -157.780 flat angles P-C4'-P energy: -113.106 tors. eta vs tors. theta energy: -227.639 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: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2647.031908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.031908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.031908 (E_RNA) where: Base-Base interactions energy: -1889.474 where: short stacking energy: -773.699 Base-Backbone interact. energy: 2.150 local terms energy: -759.707938 where: bonds (distance) C4'-P energy: -128.992 bonds (distance) P-C4' energy: -113.642 flat angles C4'-P-C4' energy: -161.930 flat angles P-C4'-P energy: -115.552 tors. eta vs tors. theta energy: -239.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2592.626272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.626272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.626272 (E_RNA) where: Base-Base interactions energy: -1840.965 where: short stacking energy: -772.758 Base-Backbone interact. energy: 1.329 local terms energy: -752.990652 where: bonds (distance) C4'-P energy: -139.846 bonds (distance) P-C4' energy: -117.605 flat angles C4'-P-C4' energy: -160.501 flat angles P-C4'-P energy: -100.888 tors. eta vs tors. theta energy: -234.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2440.374459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.374459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.374459 (E_RNA) where: Base-Base interactions energy: -1741.453 where: short stacking energy: -692.308 Base-Backbone interact. energy: -2.203 local terms energy: -696.719171 where: bonds (distance) C4'-P energy: -117.742 bonds (distance) P-C4' energy: -116.821 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -106.358 tors. eta vs tors. theta energy: -212.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2434.093954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.093954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.093954 (E_RNA) where: Base-Base interactions energy: -1739.109 where: short stacking energy: -725.846 Base-Backbone interact. energy: -0.818 local terms energy: -694.167250 where: bonds (distance) C4'-P energy: -102.304 bonds (distance) P-C4' energy: -111.403 flat angles C4'-P-C4' energy: -144.237 flat angles P-C4'-P energy: -109.411 tors. eta vs tors. theta energy: -226.812 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: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2281.015454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.015454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.015454 (E_RNA) where: Base-Base interactions energy: -1640.650 where: short stacking energy: -656.564 Base-Backbone interact. energy: -1.553 local terms energy: -638.811537 where: bonds (distance) C4'-P energy: -100.129 bonds (distance) P-C4' energy: -114.535 flat angles C4'-P-C4' energy: -131.141 flat angles P-C4'-P energy: -82.582 tors. eta vs tors. theta energy: -210.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2197.948537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.948537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.948537 (E_RNA) where: Base-Base interactions energy: -1573.681 where: short stacking energy: -618.005 Base-Backbone interact. energy: 2.260 local terms energy: -626.527481 where: bonds (distance) C4'-P energy: -108.562 bonds (distance) P-C4' energy: -106.502 flat angles C4'-P-C4' energy: -143.361 flat angles P-C4'-P energy: -72.878 tors. eta vs tors. theta energy: -195.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1758.622051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.622051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.622051 (E_RNA) where: Base-Base interactions energy: -1215.265 where: short stacking energy: -500.761 Base-Backbone interact. energy: -0.689 local terms energy: -542.668241 where: bonds (distance) C4'-P energy: -109.603 bonds (distance) P-C4' energy: -109.776 flat angles C4'-P-C4' energy: -110.363 flat angles P-C4'-P energy: -73.424 tors. eta vs tors. theta energy: -139.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1390.913338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.913338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.913338 (E_RNA) where: Base-Base interactions energy: -909.365 where: short stacking energy: -384.095 Base-Backbone interact. energy: -2.340 local terms energy: -479.207710 where: bonds (distance) C4'-P energy: -116.308 bonds (distance) P-C4' energy: -83.695 flat angles C4'-P-C4' energy: -116.565 flat angles P-C4'-P energy: -64.520 tors. eta vs tors. theta energy: -98.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1295.080707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.080707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.080707 (E_RNA) where: Base-Base interactions energy: -867.199 where: short stacking energy: -358.340 Base-Backbone interact. energy: -0.678 local terms energy: -427.203654 where: bonds (distance) C4'-P energy: -103.789 bonds (distance) P-C4' energy: -107.858 flat angles C4'-P-C4' energy: -94.399 flat angles P-C4'-P energy: -65.826 tors. eta vs tors. theta energy: -55.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2689.904350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.904350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.904350 (E_RNA) where: Base-Base interactions energy: -1939.256 where: short stacking energy: -757.971 Base-Backbone interact. energy: -3.058 local terms energy: -747.590423 where: bonds (distance) C4'-P energy: -123.786 bonds (distance) P-C4' energy: -127.841 flat angles C4'-P-C4' energy: -166.069 flat angles P-C4'-P energy: -103.627 tors. eta vs tors. theta energy: -226.267 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: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2644.382687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.382687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.382687 (E_RNA) where: Base-Base interactions energy: -1874.547 where: short stacking energy: -758.755 Base-Backbone interact. energy: -1.671 local terms energy: -768.164473 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -160.317 flat angles P-C4'-P energy: -107.900 tors. eta vs tors. theta energy: -236.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2576.708990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.708990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.708990 (E_RNA) where: Base-Base interactions energy: -1810.881 where: short stacking energy: -736.577 Base-Backbone interact. energy: -2.134 local terms energy: -763.694245 where: bonds (distance) C4'-P energy: -137.812 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -152.522 flat angles P-C4'-P energy: -109.366 tors. eta vs tors. theta energy: -225.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2445.757559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.757559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.757559 (E_RNA) where: Base-Base interactions energy: -1765.456 where: short stacking energy: -713.928 Base-Backbone interact. energy: -2.894 local terms energy: -677.407625 where: bonds (distance) C4'-P energy: -122.037 bonds (distance) P-C4' energy: -104.298 flat angles C4'-P-C4' energy: -145.230 flat angles P-C4'-P energy: -95.117 tors. eta vs tors. theta energy: -210.725 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: 5, replica: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2445.088733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.088733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.088733 (E_RNA) where: Base-Base interactions energy: -1734.538 where: short stacking energy: -723.901 Base-Backbone interact. energy: -1.989 local terms energy: -708.562018 where: bonds (distance) C4'-P energy: -124.354 bonds (distance) P-C4' energy: -125.809 flat angles C4'-P-C4' energy: -143.540 flat angles P-C4'-P energy: -103.300 tors. eta vs tors. theta energy: -211.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2333.466360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.466360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.466360 (E_RNA) where: Base-Base interactions energy: -1665.106 where: short stacking energy: -687.215 Base-Backbone interact. energy: -1.098 local terms energy: -667.261971 where: bonds (distance) C4'-P energy: -127.083 bonds (distance) P-C4' energy: -97.719 flat angles C4'-P-C4' energy: -123.619 flat angles P-C4'-P energy: -98.580 tors. eta vs tors. theta energy: -220.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2270.637254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.637254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.637254 (E_RNA) where: Base-Base interactions energy: -1621.096 where: short stacking energy: -661.020 Base-Backbone interact. energy: -2.174 local terms energy: -647.366704 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -123.602 flat angles C4'-P-C4' energy: -123.870 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -208.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1772.248681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.248681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.248681 (E_RNA) where: Base-Base interactions energy: -1203.242 where: short stacking energy: -491.013 Base-Backbone interact. energy: 0.065 local terms energy: -569.072214 where: bonds (distance) C4'-P energy: -115.162 bonds (distance) P-C4' energy: -116.572 flat angles C4'-P-C4' energy: -127.285 flat angles P-C4'-P energy: -80.746 tors. eta vs tors. theta energy: -129.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1503.267968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.267968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.267968 (E_RNA) where: Base-Base interactions energy: -991.066 where: short stacking energy: -437.657 Base-Backbone interact. energy: 0.941 local terms energy: -513.142778 where: bonds (distance) C4'-P energy: -99.374 bonds (distance) P-C4' energy: -108.689 flat angles C4'-P-C4' energy: -120.986 flat angles P-C4'-P energy: -73.210 tors. eta vs tors. theta energy: -110.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1319.224598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.224598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.224598 (E_RNA) where: Base-Base interactions energy: -887.148 where: short stacking energy: -385.589 Base-Backbone interact. energy: -0.885 local terms energy: -431.191173 where: bonds (distance) C4'-P energy: -87.255 bonds (distance) P-C4' energy: -104.445 flat angles C4'-P-C4' energy: -120.705 flat angles P-C4'-P energy: -52.786 tors. eta vs tors. theta energy: -66.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2699.620431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.620431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.620431 (E_RNA) where: Base-Base interactions energy: -1942.105 where: short stacking energy: -736.655 Base-Backbone interact. energy: -0.879 local terms energy: -756.636741 where: bonds (distance) C4'-P energy: -123.131 bonds (distance) P-C4' energy: -135.692 flat angles C4'-P-C4' energy: -171.684 flat angles P-C4'-P energy: -109.861 tors. eta vs tors. theta energy: -216.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2641.702231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.702231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.702231 (E_RNA) where: Base-Base interactions energy: -1893.517 where: short stacking energy: -775.311 Base-Backbone interact. energy: 1.141 local terms energy: -749.326481 where: bonds (distance) C4'-P energy: -118.316 bonds (distance) P-C4' energy: -129.553 flat angles C4'-P-C4' energy: -164.104 flat angles P-C4'-P energy: -93.715 tors. eta vs tors. theta energy: -243.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2548.101138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.101138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.101138 (E_RNA) where: Base-Base interactions energy: -1804.836 where: short stacking energy: -726.621 Base-Backbone interact. energy: 2.242 local terms energy: -745.506591 where: bonds (distance) C4'-P energy: -129.070 bonds (distance) P-C4' energy: -121.667 flat angles C4'-P-C4' energy: -167.604 flat angles P-C4'-P energy: -109.448 tors. eta vs tors. theta energy: -217.718 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: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2470.180543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.180543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.180543 (E_RNA) where: Base-Base interactions energy: -1757.266 where: short stacking energy: -722.231 Base-Backbone interact. energy: -0.766 local terms energy: -712.148745 where: bonds (distance) C4'-P energy: -126.211 bonds (distance) P-C4' energy: -132.364 flat angles C4'-P-C4' energy: -144.875 flat angles P-C4'-P energy: -85.004 tors. eta vs tors. theta energy: -223.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2397.934384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.934384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.934384 (E_RNA) where: Base-Base interactions energy: -1736.491 where: short stacking energy: -729.965 Base-Backbone interact. energy: -0.730 local terms energy: -660.712822 where: bonds (distance) C4'-P energy: -109.454 bonds (distance) P-C4' energy: -105.630 flat angles C4'-P-C4' energy: -138.624 flat angles P-C4'-P energy: -91.141 tors. eta vs tors. theta energy: -215.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2314.061187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.061187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.061187 (E_RNA) where: Base-Base interactions energy: -1660.068 where: short stacking energy: -671.667 Base-Backbone interact. energy: -1.836 local terms energy: -652.157478 where: bonds (distance) C4'-P energy: -102.441 bonds (distance) P-C4' energy: -115.833 flat angles C4'-P-C4' energy: -127.325 flat angles P-C4'-P energy: -84.273 tors. eta vs tors. theta energy: -222.285 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: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2290.965820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.965820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.965820 (E_RNA) where: Base-Base interactions energy: -1646.881 where: short stacking energy: -663.970 Base-Backbone interact. energy: 0.144 local terms energy: -644.228659 where: bonds (distance) C4'-P energy: -102.518 bonds (distance) P-C4' energy: -108.277 flat angles C4'-P-C4' energy: -133.155 flat angles P-C4'-P energy: -78.213 tors. eta vs tors. theta energy: -222.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1799.407470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.407470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.407470 (E_RNA) where: Base-Base interactions energy: -1231.782 where: short stacking energy: -511.422 Base-Backbone interact. energy: 0.481 local terms energy: -568.106191 where: bonds (distance) C4'-P energy: -104.912 bonds (distance) P-C4' energy: -115.237 flat angles C4'-P-C4' energy: -131.471 flat angles P-C4'-P energy: -76.657 tors. eta vs tors. theta energy: -139.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1473.812440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.812440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.812440 (E_RNA) where: Base-Base interactions energy: -954.571 where: short stacking energy: -415.498 Base-Backbone interact. energy: -0.977 local terms energy: -518.264283 where: bonds (distance) C4'-P energy: -110.309 bonds (distance) P-C4' energy: -107.033 flat angles C4'-P-C4' energy: -129.351 flat angles P-C4'-P energy: -74.413 tors. eta vs tors. theta energy: -97.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1342.914193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.914193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.914193 (E_RNA) where: Base-Base interactions energy: -922.192 where: short stacking energy: -378.799 Base-Backbone interact. energy: 1.634 local terms energy: -422.355986 where: bonds (distance) C4'-P energy: -91.079 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -103.762 flat angles P-C4'-P energy: -67.561 tors. eta vs tors. theta energy: -67.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2689.621811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.621811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.621811 (E_RNA) where: Base-Base interactions energy: -1937.139 where: short stacking energy: -762.708 Base-Backbone interact. energy: -0.649 local terms energy: -751.833525 where: bonds (distance) C4'-P energy: -129.746 bonds (distance) P-C4' energy: -136.844 flat angles C4'-P-C4' energy: -151.357 flat angles P-C4'-P energy: -110.566 tors. eta vs tors. theta energy: -223.321 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: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2647.019342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.019342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.019342 (E_RNA) where: Base-Base interactions energy: -1870.802 where: short stacking energy: -768.514 Base-Backbone interact. energy: -1.889 local terms energy: -774.327923 where: bonds (distance) C4'-P energy: -132.009 bonds (distance) P-C4' energy: -133.659 flat angles C4'-P-C4' energy: -160.655 flat angles P-C4'-P energy: -104.430 tors. eta vs tors. theta energy: -243.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2554.578010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.578010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.578010 (E_RNA) where: Base-Base interactions energy: -1807.821 where: short stacking energy: -746.523 Base-Backbone interact. energy: -2.843 local terms energy: -743.914294 where: bonds (distance) C4'-P energy: -126.929 bonds (distance) P-C4' energy: -145.592 flat angles C4'-P-C4' energy: -149.085 flat angles P-C4'-P energy: -99.563 tors. eta vs tors. theta energy: -222.745 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: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2467.253262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.253262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.253262 (E_RNA) where: Base-Base interactions energy: -1769.707 where: short stacking energy: -719.340 Base-Backbone interact. energy: -0.063 local terms energy: -697.483676 where: bonds (distance) C4'-P energy: -124.200 bonds (distance) P-C4' energy: -124.761 flat angles C4'-P-C4' energy: -142.857 flat angles P-C4'-P energy: -95.725 tors. eta vs tors. theta energy: -209.941 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: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2358.136251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.136251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.136251 (E_RNA) where: Base-Base interactions energy: -1670.677 where: short stacking energy: -684.422 Base-Backbone interact. energy: 0.967 local terms energy: -688.426091 where: bonds (distance) C4'-P energy: -126.903 bonds (distance) P-C4' energy: -122.268 flat angles C4'-P-C4' energy: -142.044 flat angles P-C4'-P energy: -89.973 tors. eta vs tors. theta energy: -207.238 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: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2338.568161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.568161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.568161 (E_RNA) where: Base-Base interactions energy: -1651.996 where: short stacking energy: -700.892 Base-Backbone interact. energy: -0.711 local terms energy: -685.861280 where: bonds (distance) C4'-P energy: -112.018 bonds (distance) P-C4' energy: -116.868 flat angles C4'-P-C4' energy: -144.849 flat angles P-C4'-P energy: -93.620 tors. eta vs tors. theta energy: -218.506 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: 330 Temperature: 1.200000 Total energy: -2216.876136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.876136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.876136 (E_RNA) where: Base-Base interactions energy: -1579.357 where: short stacking energy: -649.686 Base-Backbone interact. energy: 0.007 local terms energy: -637.526124 where: bonds (distance) C4'-P energy: -98.759 bonds (distance) P-C4' energy: -108.375 flat angles C4'-P-C4' energy: -146.871 flat angles P-C4'-P energy: -81.728 tors. eta vs tors. theta energy: -201.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1800.511249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.511249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.511249 (E_RNA) where: Base-Base interactions energy: -1230.684 where: short stacking energy: -540.194 Base-Backbone interact. energy: -0.626 local terms energy: -569.201354 where: bonds (distance) C4'-P energy: -106.271 bonds (distance) P-C4' energy: -115.091 flat angles C4'-P-C4' energy: -124.674 flat angles P-C4'-P energy: -84.560 tors. eta vs tors. theta energy: -138.606 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: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1439.778925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.778925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.778925 (E_RNA) where: Base-Base interactions energy: -961.514 where: short stacking energy: -393.989 Base-Backbone interact. energy: -0.981 local terms energy: -477.284049 where: bonds (distance) C4'-P energy: -95.763 bonds (distance) P-C4' energy: -113.882 flat angles C4'-P-C4' energy: -118.256 flat angles P-C4'-P energy: -69.206 tors. eta vs tors. theta energy: -80.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1320.903319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.903319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.903319 (E_RNA) where: Base-Base interactions energy: -895.349 where: short stacking energy: -365.318 Base-Backbone interact. energy: -2.526 local terms energy: -423.028656 where: bonds (distance) C4'-P energy: -100.980 bonds (distance) P-C4' energy: -95.998 flat angles C4'-P-C4' energy: -91.799 flat angles P-C4'-P energy: -69.447 tors. eta vs tors. theta energy: -64.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2696.853445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.853445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.853445 (E_RNA) where: Base-Base interactions energy: -1931.634 where: short stacking energy: -751.675 Base-Backbone interact. energy: -1.146 local terms energy: -764.072876 where: bonds (distance) C4'-P energy: -130.007 bonds (distance) P-C4' energy: -133.310 flat angles C4'-P-C4' energy: -164.202 flat angles P-C4'-P energy: -102.988 tors. eta vs tors. theta energy: -233.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2643.959321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.959321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.959321 (E_RNA) where: Base-Base interactions energy: -1888.871 where: short stacking energy: -772.321 Base-Backbone interact. energy: -2.478 local terms energy: -752.611053 where: bonds (distance) C4'-P energy: -131.786 bonds (distance) P-C4' energy: -122.737 flat angles C4'-P-C4' energy: -153.197 flat angles P-C4'-P energy: -101.286 tors. eta vs tors. theta energy: -243.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2558.281554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.281554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.281554 (E_RNA) where: Base-Base interactions energy: -1857.166 where: short stacking energy: -748.292 Base-Backbone interact. energy: -0.765 local terms energy: -700.350346 where: bonds (distance) C4'-P energy: -112.870 bonds (distance) P-C4' energy: -119.268 flat angles C4'-P-C4' energy: -148.720 flat angles P-C4'-P energy: -98.185 tors. eta vs tors. theta energy: -221.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2431.814164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.814164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.814164 (E_RNA) where: Base-Base interactions energy: -1762.352 where: short stacking energy: -699.531 Base-Backbone interact. energy: -5.287 local terms energy: -664.174689 where: bonds (distance) C4'-P energy: -107.765 bonds (distance) P-C4' energy: -107.790 flat angles C4'-P-C4' energy: -141.404 flat angles P-C4'-P energy: -101.065 tors. eta vs tors. theta energy: -206.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2357.927061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.927061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.927061 (E_RNA) where: Base-Base interactions energy: -1650.011 where: short stacking energy: -702.532 Base-Backbone interact. energy: -1.428 local terms energy: -706.488346 where: bonds (distance) C4'-P energy: -121.911 bonds (distance) P-C4' energy: -114.573 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -110.923 tors. eta vs tors. theta energy: -215.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2278.084117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.084117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.084117 (E_RNA) where: Base-Base interactions energy: -1620.818 where: short stacking energy: -668.355 Base-Backbone interact. energy: -1.007 local terms energy: -656.259026 where: bonds (distance) C4'-P energy: -120.843 bonds (distance) P-C4' energy: -117.942 flat angles C4'-P-C4' energy: -147.357 flat angles P-C4'-P energy: -84.116 tors. eta vs tors. theta energy: -186.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2226.298042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.298042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.298042 (E_RNA) where: Base-Base interactions energy: -1573.813 where: short stacking energy: -672.391 Base-Backbone interact. energy: 1.622 local terms energy: -654.107401 where: bonds (distance) C4'-P energy: -106.486 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -129.248 flat angles P-C4'-P energy: -94.870 tors. eta vs tors. theta energy: -213.596 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: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1751.182585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.182585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.182585 (E_RNA) where: Base-Base interactions energy: -1176.616 where: short stacking energy: -488.761 Base-Backbone interact. energy: -0.339 local terms energy: -574.228242 where: bonds (distance) C4'-P energy: -108.890 bonds (distance) P-C4' energy: -107.113 flat angles C4'-P-C4' energy: -126.681 flat angles P-C4'-P energy: -92.975 tors. eta vs tors. theta energy: -138.570 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: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1476.553366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.553366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.553366 (E_RNA) where: Base-Base interactions energy: -1030.631 where: short stacking energy: -411.852 Base-Backbone interact. energy: 0.837 local terms energy: -446.758992 where: bonds (distance) C4'-P energy: -85.593 bonds (distance) P-C4' energy: -116.473 flat angles C4'-P-C4' energy: -95.209 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -79.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1381.394978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.394978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.394978 (E_RNA) where: Base-Base interactions energy: -955.671 where: short stacking energy: -404.056 Base-Backbone interact. energy: -2.397 local terms energy: -423.326918 where: bonds (distance) C4'-P energy: -93.583 bonds (distance) P-C4' energy: -87.499 flat angles C4'-P-C4' energy: -106.382 flat angles P-C4'-P energy: -55.650 tors. eta vs tors. theta energy: -80.213 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: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2691.512286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.512286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.512286 (E_RNA) where: Base-Base interactions energy: -1937.944 where: short stacking energy: -767.118 Base-Backbone interact. energy: -1.429 local terms energy: -752.138510 where: bonds (distance) C4'-P energy: -127.992 bonds (distance) P-C4' energy: -130.421 flat angles C4'-P-C4' energy: -158.483 flat angles P-C4'-P energy: -109.363 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: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2624.912032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.912032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.912032 (E_RNA) where: Base-Base interactions energy: -1872.596 where: short stacking energy: -758.866 Base-Backbone interact. energy: -3.252 local terms energy: -749.063685 where: bonds (distance) C4'-P energy: -132.313 bonds (distance) P-C4' energy: -119.193 flat angles C4'-P-C4' energy: -161.953 flat angles P-C4'-P energy: -93.977 tors. eta vs tors. theta energy: -241.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2560.902557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.902557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.902557 (E_RNA) where: Base-Base interactions energy: -1821.145 where: short stacking energy: -735.988 Base-Backbone interact. energy: -4.390 local terms energy: -735.367536 where: bonds (distance) C4'-P energy: -129.896 bonds (distance) P-C4' energy: -133.163 flat angles C4'-P-C4' energy: -150.183 flat angles P-C4'-P energy: -96.575 tors. eta vs tors. theta energy: -225.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2403.947135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.947135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.947135 (E_RNA) where: Base-Base interactions energy: -1711.366 where: short stacking energy: -694.624 Base-Backbone interact. energy: -1.538 local terms energy: -691.042494 where: bonds (distance) C4'-P energy: -119.740 bonds (distance) P-C4' energy: -123.921 flat angles C4'-P-C4' energy: -156.164 flat angles P-C4'-P energy: -84.413 tors. eta vs tors. theta energy: -206.804 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: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2404.507753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.507753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.507753 (E_RNA) where: Base-Base interactions energy: -1670.937 where: short stacking energy: -691.598 Base-Backbone interact. energy: -0.931 local terms energy: -732.640101 where: bonds (distance) C4'-P energy: -128.776 bonds (distance) P-C4' energy: -131.667 flat angles C4'-P-C4' energy: -148.027 flat angles P-C4'-P energy: -98.974 tors. eta vs tors. theta energy: -225.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2323.261840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.261840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.261840 (E_RNA) where: Base-Base interactions energy: -1643.446 where: short stacking energy: -667.266 Base-Backbone interact. energy: 4.972 local terms energy: -684.788043 where: bonds (distance) C4'-P energy: -117.438 bonds (distance) P-C4' energy: -109.720 flat angles C4'-P-C4' energy: -145.265 flat angles P-C4'-P energy: -99.075 tors. eta vs tors. theta energy: -213.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2236.853973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.853973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.853973 (E_RNA) where: Base-Base interactions energy: -1566.519 where: short stacking energy: -659.424 Base-Backbone interact. energy: -1.292 local terms energy: -669.042421 where: bonds (distance) C4'-P energy: -107.162 bonds (distance) P-C4' energy: -110.719 flat angles C4'-P-C4' energy: -150.631 flat angles P-C4'-P energy: -93.451 tors. eta vs tors. theta energy: -207.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1822.404653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.404653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.404653 (E_RNA) where: Base-Base interactions energy: -1239.339 where: short stacking energy: -528.372 Base-Backbone interact. energy: -1.473 local terms energy: -581.592927 where: bonds (distance) C4'-P energy: -112.908 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -124.665 flat angles P-C4'-P energy: -86.285 tors. eta vs tors. theta energy: -152.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1450.654789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.654789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.654789 (E_RNA) where: Base-Base interactions energy: -983.520 where: short stacking energy: -382.293 Base-Backbone interact. energy: -4.845 local terms energy: -462.289689 where: bonds (distance) C4'-P energy: -114.282 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -101.037 flat angles P-C4'-P energy: -70.470 tors. eta vs tors. theta energy: -85.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1432.333937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.333937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.333937 (E_RNA) where: Base-Base interactions energy: -949.347 where: short stacking energy: -419.999 Base-Backbone interact. energy: -0.691 local terms energy: -482.295766 where: bonds (distance) C4'-P energy: -101.945 bonds (distance) P-C4' energy: -116.530 flat angles C4'-P-C4' energy: -109.973 flat angles P-C4'-P energy: -65.477 tors. eta vs tors. theta energy: -88.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2721.360491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.360491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.360491 (E_RNA) where: Base-Base interactions energy: -1965.506 where: short stacking energy: -768.154 Base-Backbone interact. energy: 1.333 local terms energy: -757.187846 where: bonds (distance) C4'-P energy: -132.692 bonds (distance) P-C4' energy: -137.441 flat angles C4'-P-C4' energy: -157.441 flat angles P-C4'-P energy: -102.415 tors. eta vs tors. theta energy: -227.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2631.340894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.340894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.340894 (E_RNA) where: Base-Base interactions energy: -1872.376 where: short stacking energy: -786.135 Base-Backbone interact. energy: -0.716 local terms energy: -758.249091 where: bonds (distance) C4'-P energy: -125.297 bonds (distance) P-C4' energy: -132.869 flat angles C4'-P-C4' energy: -149.943 flat angles P-C4'-P energy: -108.150 tors. eta vs tors. theta energy: -241.990 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: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2548.744677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.744677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.744677 (E_RNA) where: Base-Base interactions energy: -1819.864 where: short stacking energy: -733.276 Base-Backbone interact. energy: -1.324 local terms energy: -727.556665 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -125.826 flat angles C4'-P-C4' energy: -159.934 flat angles P-C4'-P energy: -90.427 tors. eta vs tors. theta energy: -222.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2427.089494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.089494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.089494 (E_RNA) where: Base-Base interactions energy: -1714.377 where: short stacking energy: -695.484 Base-Backbone interact. energy: -2.882 local terms energy: -709.830288 where: bonds (distance) C4'-P energy: -115.818 bonds (distance) P-C4' energy: -127.457 flat angles C4'-P-C4' energy: -157.082 flat angles P-C4'-P energy: -100.131 tors. eta vs tors. theta energy: -209.343 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: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2375.369098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.369098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.369098 (E_RNA) where: Base-Base interactions energy: -1671.866 where: short stacking energy: -691.319 Base-Backbone interact. energy: -0.485 local terms energy: -703.018868 where: bonds (distance) C4'-P energy: -113.863 bonds (distance) P-C4' energy: -113.334 flat angles C4'-P-C4' energy: -153.815 flat angles P-C4'-P energy: -99.079 tors. eta vs tors. theta energy: -222.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2306.585047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.585047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.585047 (E_RNA) where: Base-Base interactions energy: -1642.854 where: short stacking energy: -687.817 Base-Backbone interact. energy: -0.513 local terms energy: -663.217510 where: bonds (distance) C4'-P energy: -108.575 bonds (distance) P-C4' energy: -98.157 flat angles C4'-P-C4' energy: -139.327 flat angles P-C4'-P energy: -96.099 tors. eta vs tors. theta energy: -221.059 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: 333 Temperature: 1.200000 Total energy: -2284.152674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.152674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.152674 (E_RNA) where: Base-Base interactions energy: -1609.065 where: short stacking energy: -657.822 Base-Backbone interact. energy: -1.998 local terms energy: -673.089541 where: bonds (distance) C4'-P energy: -100.194 bonds (distance) P-C4' energy: -107.575 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -99.767 tors. eta vs tors. theta energy: -218.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1828.626649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.626649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.626649 (E_RNA) where: Base-Base interactions energy: -1264.218 where: short stacking energy: -532.980 Base-Backbone interact. energy: -0.789 local terms energy: -563.619519 where: bonds (distance) C4'-P energy: -116.650 bonds (distance) P-C4' energy: -108.193 flat angles C4'-P-C4' energy: -120.885 flat angles P-C4'-P energy: -80.966 tors. eta vs tors. theta energy: -136.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1523.375763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.375763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.375763 (E_RNA) where: Base-Base interactions energy: -987.847 where: short stacking energy: -426.555 Base-Backbone interact. energy: 0.009 local terms energy: -535.537863 where: bonds (distance) C4'-P energy: -99.677 bonds (distance) P-C4' energy: -122.828 flat angles C4'-P-C4' energy: -109.482 flat angles P-C4'-P energy: -83.069 tors. eta vs tors. theta energy: -120.482 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: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1371.158430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.158430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.158430 (E_RNA) where: Base-Base interactions energy: -891.905 where: short stacking energy: -369.387 Base-Backbone interact. energy: -1.412 local terms energy: -477.841574 where: bonds (distance) C4'-P energy: -107.315 bonds (distance) P-C4' energy: -128.773 flat angles C4'-P-C4' energy: -98.891 flat angles P-C4'-P energy: -64.635 tors. eta vs tors. theta energy: -78.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2695.058436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.058436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.058436 (E_RNA) where: Base-Base interactions energy: -1937.334 where: short stacking energy: -752.846 Base-Backbone interact. energy: 1.258 local terms energy: -758.982077 where: bonds (distance) C4'-P energy: -128.356 bonds (distance) P-C4' energy: -134.043 flat angles C4'-P-C4' energy: -155.501 flat angles P-C4'-P energy: -118.321 tors. eta vs tors. theta energy: -222.760 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: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2635.213502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.213502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.213502 (E_RNA) where: Base-Base interactions energy: -1883.025 where: short stacking energy: -753.618 Base-Backbone interact. energy: -1.702 local terms energy: -750.485908 where: bonds (distance) C4'-P energy: -125.518 bonds (distance) P-C4' energy: -128.295 flat angles C4'-P-C4' energy: -150.274 flat angles P-C4'-P energy: -108.595 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: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2530.131171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.131171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.131171 (E_RNA) where: Base-Base interactions energy: -1814.171 where: short stacking energy: -746.495 Base-Backbone interact. energy: -1.846 local terms energy: -714.114710 where: bonds (distance) C4'-P energy: -125.115 bonds (distance) P-C4' energy: -126.239 flat angles C4'-P-C4' energy: -145.088 flat angles P-C4'-P energy: -94.560 tors. eta vs tors. theta energy: -223.112 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: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2413.899762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.899762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.899762 (E_RNA) where: Base-Base interactions energy: -1697.745 where: short stacking energy: -703.369 Base-Backbone interact. energy: -1.599 local terms energy: -714.555301 where: bonds (distance) C4'-P energy: -128.447 bonds (distance) P-C4' energy: -133.665 flat angles C4'-P-C4' energy: -142.414 flat angles P-C4'-P energy: -103.782 tors. eta vs tors. theta energy: -206.247 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: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2352.428467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.428467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.428467 (E_RNA) where: Base-Base interactions energy: -1663.194 where: short stacking energy: -700.952 Base-Backbone interact. energy: 1.465 local terms energy: -690.700073 where: bonds (distance) C4'-P energy: -120.492 bonds (distance) P-C4' energy: -118.924 flat angles C4'-P-C4' energy: -143.182 flat angles P-C4'-P energy: -89.180 tors. eta vs tors. theta energy: -218.922 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: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2295.773635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.773635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.773635 (E_RNA) where: Base-Base interactions energy: -1604.637 where: short stacking energy: -679.920 Base-Backbone interact. energy: 0.393 local terms energy: -691.530414 where: bonds (distance) C4'-P energy: -119.563 bonds (distance) P-C4' energy: -113.974 flat angles C4'-P-C4' energy: -143.015 flat angles P-C4'-P energy: -95.208 tors. eta vs tors. theta energy: -219.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2291.692283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.692283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.692283 (E_RNA) where: Base-Base interactions energy: -1617.471 where: short stacking energy: -693.573 Base-Backbone interact. energy: -2.997 local terms energy: -671.224335 where: bonds (distance) C4'-P energy: -112.937 bonds (distance) P-C4' energy: -108.323 flat angles C4'-P-C4' energy: -135.656 flat angles P-C4'-P energy: -96.391 tors. eta vs tors. theta energy: -217.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1785.627212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.627212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.627212 (E_RNA) where: Base-Base interactions energy: -1237.703 where: short stacking energy: -510.097 Base-Backbone interact. energy: -1.340 local terms energy: -546.584512 where: bonds (distance) C4'-P energy: -98.272 bonds (distance) P-C4' energy: -119.481 flat angles C4'-P-C4' energy: -116.980 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -134.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1498.327868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.327868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.327868 (E_RNA) where: Base-Base interactions energy: -1006.040 where: short stacking energy: -389.099 Base-Backbone interact. energy: -3.002 local terms energy: -489.285980 where: bonds (distance) C4'-P energy: -107.225 bonds (distance) P-C4' energy: -113.234 flat angles C4'-P-C4' energy: -110.057 flat angles P-C4'-P energy: -78.737 tors. eta vs tors. theta energy: -80.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1354.570352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.570352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.570352 (E_RNA) where: Base-Base interactions energy: -889.345 where: short stacking energy: -387.151 Base-Backbone interact. energy: 2.705 local terms energy: -467.930784 where: bonds (distance) C4'-P energy: -112.622 bonds (distance) P-C4' energy: -105.374 flat angles C4'-P-C4' energy: -102.242 flat angles P-C4'-P energy: -65.129 tors. eta vs tors. theta energy: -82.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2703.025989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.025989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.025989 (E_RNA) where: Base-Base interactions energy: -1953.459 where: short stacking energy: -759.924 Base-Backbone interact. energy: 5.922 local terms energy: -755.488492 where: bonds (distance) C4'-P energy: -124.255 bonds (distance) P-C4' energy: -131.722 flat angles C4'-P-C4' energy: -166.038 flat angles P-C4'-P energy: -111.421 tors. eta vs tors. theta energy: -222.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2639.692459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.692459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.692459 (E_RNA) where: Base-Base interactions energy: -1876.320 where: short stacking energy: -761.551 Base-Backbone interact. energy: -2.510 local terms energy: -760.862513 where: bonds (distance) C4'-P energy: -137.751 bonds (distance) P-C4' energy: -122.807 flat angles C4'-P-C4' energy: -154.247 flat angles P-C4'-P energy: -110.016 tors. eta vs tors. theta energy: -236.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2546.798722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.798722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.798722 (E_RNA) where: Base-Base interactions energy: -1800.708 where: short stacking energy: -730.744 Base-Backbone interact. energy: -2.578 local terms energy: -743.512067 where: bonds (distance) C4'-P energy: -110.038 bonds (distance) P-C4' energy: -134.224 flat angles C4'-P-C4' energy: -160.303 flat angles P-C4'-P energy: -109.351 tors. eta vs tors. theta energy: -229.595 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: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2425.581105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.581105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.581105 (E_RNA) where: Base-Base interactions energy: -1747.692 where: short stacking energy: -725.950 Base-Backbone interact. energy: 0.913 local terms energy: -678.801969 where: bonds (distance) C4'-P energy: -110.357 bonds (distance) P-C4' energy: -108.282 flat angles C4'-P-C4' energy: -137.676 flat angles P-C4'-P energy: -116.467 tors. eta vs tors. theta energy: -206.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2379.248934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.248934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.248934 (E_RNA) where: Base-Base interactions energy: -1688.900 where: short stacking energy: -715.112 Base-Backbone interact. energy: -1.152 local terms energy: -689.196409 where: bonds (distance) C4'-P energy: -107.929 bonds (distance) P-C4' energy: -105.124 flat angles C4'-P-C4' energy: -158.581 flat angles P-C4'-P energy: -100.758 tors. eta vs tors. theta energy: -216.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2299.863873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.863873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.863873 (E_RNA) where: Base-Base interactions energy: -1600.964 where: short stacking energy: -659.007 Base-Backbone interact. energy: -1.793 local terms energy: -697.106759 where: bonds (distance) C4'-P energy: -114.678 bonds (distance) P-C4' energy: -120.456 flat angles C4'-P-C4' energy: -145.948 flat angles P-C4'-P energy: -96.358 tors. eta vs tors. theta energy: -219.666 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: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2230.536981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.536981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.536981 (E_RNA) where: Base-Base interactions energy: -1583.314 where: short stacking energy: -657.170 Base-Backbone interact. energy: -1.443 local terms energy: -645.780218 where: bonds (distance) C4'-P energy: -107.253 bonds (distance) P-C4' energy: -113.702 flat angles C4'-P-C4' energy: -136.253 flat angles P-C4'-P energy: -82.293 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: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1845.984317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.984317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.984317 (E_RNA) where: Base-Base interactions energy: -1284.084 where: short stacking energy: -535.489 Base-Backbone interact. energy: -0.372 local terms energy: -561.528381 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -103.850 flat angles C4'-P-C4' energy: -123.542 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -137.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1465.892738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.892738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.892738 (E_RNA) where: Base-Base interactions energy: -981.936 where: short stacking energy: -414.907 Base-Backbone interact. energy: 0.141 local terms energy: -484.097993 where: bonds (distance) C4'-P energy: -110.400 bonds (distance) P-C4' energy: -123.895 flat angles C4'-P-C4' energy: -105.492 flat angles P-C4'-P energy: -64.411 tors. eta vs tors. theta energy: -79.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1322.738419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.738419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.738419 (E_RNA) where: Base-Base interactions energy: -886.071 where: short stacking energy: -376.784 Base-Backbone interact. energy: 4.175 local terms energy: -440.842686 where: bonds (distance) C4'-P energy: -99.310 bonds (distance) P-C4' energy: -97.564 flat angles C4'-P-C4' energy: -99.925 flat angles P-C4'-P energy: -71.049 tors. eta vs tors. theta energy: -72.995 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: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2681.809523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.809523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.809523 (E_RNA) where: Base-Base interactions energy: -1926.592 where: short stacking energy: -757.618 Base-Backbone interact. energy: -1.880 local terms energy: -753.337007 where: bonds (distance) C4'-P energy: -124.309 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -167.393 flat angles P-C4'-P energy: -99.601 tors. eta vs tors. theta energy: -228.605 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: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2652.567568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.567568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.567568 (E_RNA) where: Base-Base interactions energy: -1895.890 where: short stacking energy: -757.321 Base-Backbone interact. energy: -3.476 local terms energy: -753.200668 where: bonds (distance) C4'-P energy: -120.131 bonds (distance) P-C4' energy: -127.921 flat angles C4'-P-C4' energy: -162.262 flat angles P-C4'-P energy: -104.938 tors. eta vs tors. theta energy: -237.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2562.564576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.564576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.564576 (E_RNA) where: Base-Base interactions energy: -1842.831 where: short stacking energy: -751.871 Base-Backbone interact. energy: -2.896 local terms energy: -716.838088 where: bonds (distance) C4'-P energy: -101.124 bonds (distance) P-C4' energy: -122.679 flat angles C4'-P-C4' energy: -150.342 flat angles P-C4'-P energy: -105.415 tors. eta vs tors. theta energy: -237.278 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: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2420.642950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.642950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.642950 (E_RNA) where: Base-Base interactions energy: -1731.402 where: short stacking energy: -713.131 Base-Backbone interact. energy: -1.478 local terms energy: -687.762566 where: bonds (distance) C4'-P energy: -130.318 bonds (distance) P-C4' energy: -120.742 flat angles C4'-P-C4' energy: -150.089 flat angles P-C4'-P energy: -77.730 tors. eta vs tors. theta energy: -208.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2405.018410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.018410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.018410 (E_RNA) where: Base-Base interactions energy: -1679.985 where: short stacking energy: -693.643 Base-Backbone interact. energy: 1.297 local terms energy: -726.330458 where: bonds (distance) C4'-P energy: -117.225 bonds (distance) P-C4' energy: -140.022 flat angles C4'-P-C4' energy: -140.799 flat angles P-C4'-P energy: -104.916 tors. eta vs tors. theta energy: -223.368 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: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2326.656471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.656471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.656471 (E_RNA) where: Base-Base interactions energy: -1642.123 where: short stacking energy: -694.868 Base-Backbone interact. energy: -1.276 local terms energy: -683.257652 where: bonds (distance) C4'-P energy: -112.478 bonds (distance) P-C4' energy: -111.523 flat angles C4'-P-C4' energy: -137.729 flat angles P-C4'-P energy: -94.073 tors. eta vs tors. theta energy: -227.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2214.381963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.381963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.381963 (E_RNA) where: Base-Base interactions energy: -1574.955 where: short stacking energy: -664.285 Base-Backbone interact. energy: -1.150 local terms energy: -638.276737 where: bonds (distance) C4'-P energy: -111.624 bonds (distance) P-C4' energy: -109.533 flat angles C4'-P-C4' energy: -129.376 flat angles P-C4'-P energy: -84.417 tors. eta vs tors. theta energy: -203.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1833.168809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.168809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.168809 (E_RNA) where: Base-Base interactions energy: -1242.933 where: short stacking energy: -513.275 Base-Backbone interact. energy: 1.108 local terms energy: -591.344313 where: bonds (distance) C4'-P energy: -112.918 bonds (distance) P-C4' energy: -119.643 flat angles C4'-P-C4' energy: -131.260 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: -142.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1500.591643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.591643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.591643 (E_RNA) where: Base-Base interactions energy: -1008.930 where: short stacking energy: -396.987 Base-Backbone interact. energy: 1.132 local terms energy: -492.792889 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -115.230 flat angles C4'-P-C4' energy: -111.306 flat angles P-C4'-P energy: -83.065 tors. eta vs tors. theta energy: -83.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1310.181522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.181522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.181522 (E_RNA) where: Base-Base interactions energy: -873.341 where: short stacking energy: -387.451 Base-Backbone interact. energy: -0.398 local terms energy: -436.443299 where: bonds (distance) C4'-P energy: -102.199 bonds (distance) P-C4' energy: -98.570 flat angles C4'-P-C4' energy: -108.550 flat angles P-C4'-P energy: -60.481 tors. eta vs tors. theta energy: -66.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2705.676497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.676497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.676497 (E_RNA) where: Base-Base interactions energy: -1947.314 where: short stacking energy: -746.353 Base-Backbone interact. energy: 0.471 local terms energy: -758.833559 where: bonds (distance) C4'-P energy: -128.171 bonds (distance) P-C4' energy: -134.414 flat angles C4'-P-C4' energy: -157.766 flat angles P-C4'-P energy: -114.949 tors. eta vs tors. theta energy: -223.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2669.609792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.609792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.609792 (E_RNA) where: Base-Base interactions energy: -1911.608 where: short stacking energy: -766.954 Base-Backbone interact. energy: 1.852 local terms energy: -759.853864 where: bonds (distance) C4'-P energy: -132.029 bonds (distance) P-C4' energy: -131.074 flat angles C4'-P-C4' energy: -155.625 flat angles P-C4'-P energy: -101.272 tors. eta vs tors. theta energy: -239.855 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: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2558.789996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.789996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.789996 (E_RNA) where: Base-Base interactions energy: -1828.387 where: short stacking energy: -748.697 Base-Backbone interact. energy: -2.128 local terms energy: -728.275205 where: bonds (distance) C4'-P energy: -117.820 bonds (distance) P-C4' energy: -127.259 flat angles C4'-P-C4' energy: -155.282 flat angles P-C4'-P energy: -97.372 tors. eta vs tors. theta energy: -230.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2482.945202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.945202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.945202 (E_RNA) where: Base-Base interactions energy: -1767.940 where: short stacking energy: -711.006 Base-Backbone interact. energy: -2.895 local terms energy: -712.110517 where: bonds (distance) C4'-P energy: -127.840 bonds (distance) P-C4' energy: -138.862 flat angles C4'-P-C4' energy: -139.007 flat angles P-C4'-P energy: -101.376 tors. eta vs tors. theta energy: -205.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2357.288599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.288599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.288599 (E_RNA) where: Base-Base interactions energy: -1718.624 where: short stacking energy: -726.777 Base-Backbone interact. energy: -0.590 local terms energy: -638.074432 where: bonds (distance) C4'-P energy: -100.195 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -140.846 flat angles P-C4'-P energy: -86.242 tors. eta vs tors. theta energy: -218.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2310.980379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.980379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.980379 (E_RNA) where: Base-Base interactions energy: -1616.327 where: short stacking energy: -679.612 Base-Backbone interact. energy: -2.559 local terms energy: -692.093957 where: bonds (distance) C4'-P energy: -118.353 bonds (distance) P-C4' energy: -113.936 flat angles C4'-P-C4' energy: -140.654 flat angles P-C4'-P energy: -96.438 tors. eta vs tors. theta energy: -222.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2264.842902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.842902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.842902 (E_RNA) where: Base-Base interactions energy: -1611.416 where: short stacking energy: -670.793 Base-Backbone interact. energy: 0.159 local terms energy: -653.585718 where: bonds (distance) C4'-P energy: -111.972 bonds (distance) P-C4' energy: -103.231 flat angles C4'-P-C4' energy: -135.711 flat angles P-C4'-P energy: -94.930 tors. eta vs tors. theta energy: -207.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1776.026928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.026928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.026928 (E_RNA) where: Base-Base interactions energy: -1224.712 where: short stacking energy: -519.836 Base-Backbone interact. energy: 3.122 local terms energy: -554.436332 where: bonds (distance) C4'-P energy: -89.787 bonds (distance) P-C4' energy: -97.107 flat angles C4'-P-C4' energy: -138.841 flat angles P-C4'-P energy: -88.178 tors. eta vs tors. theta energy: -140.523 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: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1641.870328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.870328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.870328 (E_RNA) where: Base-Base interactions energy: -1142.845 where: short stacking energy: -465.960 Base-Backbone interact. energy: 8.840 local terms energy: -507.865447 where: bonds (distance) C4'-P energy: -109.567 bonds (distance) P-C4' energy: -111.077 flat angles C4'-P-C4' energy: -117.315 flat angles P-C4'-P energy: -61.044 tors. eta vs tors. theta energy: -108.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1297.692837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.692837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.692837 (E_RNA) where: Base-Base interactions energy: -800.462 where: short stacking energy: -358.944 Base-Backbone interact. energy: 1.538 local terms energy: -498.769013 where: bonds (distance) C4'-P energy: -109.488 bonds (distance) P-C4' energy: -108.793 flat angles C4'-P-C4' energy: -120.090 flat angles P-C4'-P energy: -80.915 tors. eta vs tors. theta energy: -79.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2693.991785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.991785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.991785 (E_RNA) where: Base-Base interactions energy: -1945.181 where: short stacking energy: -752.448 Base-Backbone interact. energy: 1.105 local terms energy: -749.915182 where: bonds (distance) C4'-P energy: -133.824 bonds (distance) P-C4' energy: -130.035 flat angles C4'-P-C4' energy: -160.310 flat angles P-C4'-P energy: -98.048 tors. eta vs tors. theta energy: -227.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2650.655094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.655094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.655094 (E_RNA) where: Base-Base interactions energy: -1883.505 where: short stacking energy: -768.824 Base-Backbone interact. energy: -3.797 local terms energy: -763.353069 where: bonds (distance) C4'-P energy: -134.921 bonds (distance) P-C4' energy: -126.659 flat angles C4'-P-C4' energy: -160.143 flat angles P-C4'-P energy: -98.685 tors. eta vs tors. theta energy: -242.947 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: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2575.394289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.394289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.394289 (E_RNA) where: Base-Base interactions energy: -1841.376 where: short stacking energy: -751.055 Base-Backbone interact. energy: -1.326 local terms energy: -732.692109 where: bonds (distance) C4'-P energy: -122.360 bonds (distance) P-C4' energy: -116.614 flat angles C4'-P-C4' energy: -156.946 flat angles P-C4'-P energy: -108.490 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: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2454.372264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.372264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.372264 (E_RNA) where: Base-Base interactions energy: -1761.370 where: short stacking energy: -712.750 Base-Backbone interact. energy: -2.459 local terms energy: -690.543242 where: bonds (distance) C4'-P energy: -127.319 bonds (distance) P-C4' energy: -115.996 flat angles C4'-P-C4' energy: -142.579 flat angles P-C4'-P energy: -96.589 tors. eta vs tors. theta energy: -208.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2369.656662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.656662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.656662 (E_RNA) where: Base-Base interactions energy: -1667.314 where: short stacking energy: -697.270 Base-Backbone interact. energy: -1.590 local terms energy: -700.753081 where: bonds (distance) C4'-P energy: -126.608 bonds (distance) P-C4' energy: -125.158 flat angles C4'-P-C4' energy: -148.059 flat angles P-C4'-P energy: -94.897 tors. eta vs tors. theta energy: -206.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2316.431810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.431810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.431810 (E_RNA) where: Base-Base interactions energy: -1634.856 where: short stacking energy: -670.832 Base-Backbone interact. energy: -1.277 local terms energy: -680.299270 where: bonds (distance) C4'-P energy: -119.865 bonds (distance) P-C4' energy: -110.392 flat angles C4'-P-C4' energy: -133.240 flat angles P-C4'-P energy: -98.806 tors. eta vs tors. theta energy: -217.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2245.936517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.936517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.936517 (E_RNA) where: Base-Base interactions energy: -1580.639 where: short stacking energy: -642.007 Base-Backbone interact. energy: 0.589 local terms energy: -665.886174 where: bonds (distance) C4'-P energy: -113.808 bonds (distance) P-C4' energy: -106.373 flat angles C4'-P-C4' energy: -145.562 flat angles P-C4'-P energy: -86.848 tors. eta vs tors. theta energy: -213.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1782.538092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.538092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.538092 (E_RNA) where: Base-Base interactions energy: -1226.130 where: short stacking energy: -510.710 Base-Backbone interact. energy: -4.232 local terms energy: -552.176125 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -105.890 flat angles C4'-P-C4' energy: -132.852 flat angles P-C4'-P energy: -81.460 tors. eta vs tors. theta energy: -134.585 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: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1571.277138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.277138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.277138 (E_RNA) where: Base-Base interactions energy: -1096.303 where: short stacking energy: -434.756 Base-Backbone interact. energy: -1.322 local terms energy: -473.652326 where: bonds (distance) C4'-P energy: -88.212 bonds (distance) P-C4' energy: -93.675 flat angles C4'-P-C4' energy: -128.111 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -95.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1215.814057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.814057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.814057 (E_RNA) where: Base-Base interactions energy: -761.755 where: short stacking energy: -329.772 Base-Backbone interact. energy: -0.934 local terms energy: -453.124878 where: bonds (distance) C4'-P energy: -112.730 bonds (distance) P-C4' energy: -113.231 flat angles C4'-P-C4' energy: -117.812 flat angles P-C4'-P energy: -56.678 tors. eta vs tors. theta energy: -52.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2698.578223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.578223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.578223 (E_RNA) where: Base-Base interactions energy: -1920.574 where: short stacking energy: -753.717 Base-Backbone interact. energy: -2.211 local terms energy: -775.793615 where: bonds (distance) C4'-P energy: -138.780 bonds (distance) P-C4' energy: -138.503 flat angles C4'-P-C4' energy: -163.159 flat angles P-C4'-P energy: -112.754 tors. eta vs tors. theta energy: -222.597 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: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2643.726379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.726379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.726379 (E_RNA) where: Base-Base interactions energy: -1896.027 where: short stacking energy: -776.917 Base-Backbone interact. energy: -1.715 local terms energy: -745.984130 where: bonds (distance) C4'-P energy: -116.200 bonds (distance) P-C4' energy: -124.528 flat angles C4'-P-C4' energy: -151.588 flat angles P-C4'-P energy: -116.265 tors. eta vs tors. theta energy: -237.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2553.303032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.303032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.303032 (E_RNA) where: Base-Base interactions energy: -1807.565 where: short stacking energy: -738.037 Base-Backbone interact. energy: -0.351 local terms energy: -745.386924 where: bonds (distance) C4'-P energy: -136.971 bonds (distance) P-C4' energy: -112.933 flat angles C4'-P-C4' energy: -149.817 flat angles P-C4'-P energy: -113.782 tors. eta vs tors. theta energy: -231.884 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: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2469.784852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.784852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.784852 (E_RNA) where: Base-Base interactions energy: -1744.297 where: short stacking energy: -688.351 Base-Backbone interact. energy: 0.321 local terms energy: -725.808349 where: bonds (distance) C4'-P energy: -115.133 bonds (distance) P-C4' energy: -134.945 flat angles C4'-P-C4' energy: -146.586 flat angles P-C4'-P energy: -115.718 tors. eta vs tors. theta energy: -213.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2389.246058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.246058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.246058 (E_RNA) where: Base-Base interactions energy: -1706.799 where: short stacking energy: -703.924 Base-Backbone interact. energy: -1.438 local terms energy: -681.009210 where: bonds (distance) C4'-P energy: -119.108 bonds (distance) P-C4' energy: -105.910 flat angles C4'-P-C4' energy: -135.365 flat angles P-C4'-P energy: -96.737 tors. eta vs tors. theta energy: -223.889 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: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2317.065585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.065585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.065585 (E_RNA) where: Base-Base interactions energy: -1668.053 where: short stacking energy: -703.377 Base-Backbone interact. energy: -1.330 local terms energy: -647.682435 where: bonds (distance) C4'-P energy: -112.327 bonds (distance) P-C4' energy: -93.266 flat angles C4'-P-C4' energy: -142.028 flat angles P-C4'-P energy: -86.549 tors. eta vs tors. theta energy: -213.512 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: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2269.872372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.872372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.872372 (E_RNA) where: Base-Base interactions energy: -1626.163 where: short stacking energy: -661.293 Base-Backbone interact. energy: -2.635 local terms energy: -641.074317 where: bonds (distance) C4'-P energy: -109.712 bonds (distance) P-C4' energy: -102.190 flat angles C4'-P-C4' energy: -118.081 flat angles P-C4'-P energy: -93.588 tors. eta vs tors. theta energy: -217.504 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: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1630.876974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.876974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.876974 (E_RNA) where: Base-Base interactions energy: -1121.145 where: short stacking energy: -439.448 Base-Backbone interact. energy: -1.341 local terms energy: -508.390127 where: bonds (distance) C4'-P energy: -108.874 bonds (distance) P-C4' energy: -113.186 flat angles C4'-P-C4' energy: -117.634 flat angles P-C4'-P energy: -71.770 tors. eta vs tors. theta energy: -96.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1674.362864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.362864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.362864 (E_RNA) where: Base-Base interactions energy: -1152.337 where: short stacking energy: -487.380 Base-Backbone interact. energy: 1.150 local terms energy: -523.176420 where: bonds (distance) C4'-P energy: -101.657 bonds (distance) P-C4' energy: -119.108 flat angles C4'-P-C4' energy: -112.275 flat angles P-C4'-P energy: -67.343 tors. eta vs tors. theta energy: -122.795 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: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1202.052339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.052339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.052339 (E_RNA) where: Base-Base interactions energy: -738.113 where: short stacking energy: -348.909 Base-Backbone interact. energy: -0.488 local terms energy: -463.451232 where: bonds (distance) C4'-P energy: -104.805 bonds (distance) P-C4' energy: -118.144 flat angles C4'-P-C4' energy: -107.287 flat angles P-C4'-P energy: -71.374 tors. eta vs tors. theta energy: -61.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2686.151229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.151229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.151229 (E_RNA) where: Base-Base interactions energy: -1913.283 where: short stacking energy: -790.321 Base-Backbone interact. energy: -0.140 local terms energy: -772.729024 where: bonds (distance) C4'-P energy: -129.026 bonds (distance) P-C4' energy: -144.430 flat angles C4'-P-C4' energy: -153.783 flat angles P-C4'-P energy: -103.813 tors. eta vs tors. theta energy: -241.677 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: 2, replica: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2627.549041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.549041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.549041 (E_RNA) where: Base-Base interactions energy: -1899.918 where: short stacking energy: -761.451 Base-Backbone interact. energy: 0.093 local terms energy: -727.724354 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -129.955 flat angles C4'-P-C4' energy: -161.843 flat angles P-C4'-P energy: -103.044 tors. eta vs tors. theta energy: -223.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2537.323983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.323983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.323983 (E_RNA) where: Base-Base interactions energy: -1834.556 where: short stacking energy: -736.427 Base-Backbone interact. energy: -0.372 local terms energy: -702.396140 where: bonds (distance) C4'-P energy: -112.000 bonds (distance) P-C4' energy: -130.548 flat angles C4'-P-C4' energy: -146.338 flat angles P-C4'-P energy: -98.059 tors. eta vs tors. theta energy: -215.451 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: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2486.689399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.689399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.689399 (E_RNA) where: Base-Base interactions energy: -1789.029 where: short stacking energy: -712.213 Base-Backbone interact. energy: -0.934 local terms energy: -696.726214 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -116.065 flat angles C4'-P-C4' energy: -146.677 flat angles P-C4'-P energy: -96.723 tors. eta vs tors. theta energy: -219.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2337.838814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.838814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.838814 (E_RNA) where: Base-Base interactions energy: -1655.354 where: short stacking energy: -677.911 Base-Backbone interact. energy: -0.586 local terms energy: -681.899243 where: bonds (distance) C4'-P energy: -132.872 bonds (distance) P-C4' energy: -107.551 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -90.713 tors. eta vs tors. theta energy: -210.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2314.091451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.091451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.091451 (E_RNA) where: Base-Base interactions energy: -1649.522 where: short stacking energy: -671.415 Base-Backbone interact. energy: -1.441 local terms energy: -663.128343 where: bonds (distance) C4'-P energy: -103.209 bonds (distance) P-C4' energy: -115.473 flat angles C4'-P-C4' energy: -139.232 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -217.559 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: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2230.295593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.295593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.295593 (E_RNA) where: Base-Base interactions energy: -1596.114 where: short stacking energy: -667.742 Base-Backbone interact. energy: -0.374 local terms energy: -633.806947 where: bonds (distance) C4'-P energy: -90.526 bonds (distance) P-C4' energy: -122.137 flat angles C4'-P-C4' energy: -139.698 flat angles P-C4'-P energy: -73.710 tors. eta vs tors. theta energy: -207.736 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: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1707.800732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.800732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.800732 (E_RNA) where: Base-Base interactions energy: -1187.842 where: short stacking energy: -478.878 Base-Backbone interact. energy: -1.545 local terms energy: -518.413416 where: bonds (distance) C4'-P energy: -119.248 bonds (distance) P-C4' energy: -99.412 flat angles C4'-P-C4' energy: -103.139 flat angles P-C4'-P energy: -79.684 tors. eta vs tors. theta energy: -116.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1619.015729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.015729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.015729 (E_RNA) where: Base-Base interactions energy: -1107.643 where: short stacking energy: -458.578 Base-Backbone interact. energy: -0.786 local terms energy: -510.586579 where: bonds (distance) C4'-P energy: -113.796 bonds (distance) P-C4' energy: -94.614 flat angles C4'-P-C4' energy: -106.454 flat angles P-C4'-P energy: -77.704 tors. eta vs tors. theta energy: -118.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1193.368730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.368730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.368730 (E_RNA) where: Base-Base interactions energy: -739.931 where: short stacking energy: -339.371 Base-Backbone interact. energy: -2.677 local terms energy: -450.761506 where: bonds (distance) C4'-P energy: -91.568 bonds (distance) P-C4' energy: -96.778 flat angles C4'-P-C4' energy: -107.626 flat angles P-C4'-P energy: -72.438 tors. eta vs tors. theta energy: -82.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2679.359455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.359455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.359455 (E_RNA) where: Base-Base interactions energy: -1894.454 where: short stacking energy: -772.773 Base-Backbone interact. energy: -4.230 local terms energy: -780.675405 where: bonds (distance) C4'-P energy: -128.885 bonds (distance) P-C4' energy: -135.222 flat angles C4'-P-C4' energy: -166.260 flat angles P-C4'-P energy: -109.092 tors. eta vs tors. theta energy: -241.216 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: 341 Temperature: 0.950000 Total energy: -2616.455077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.455077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.455077 (E_RNA) where: Base-Base interactions energy: -1877.825 where: short stacking energy: -717.640 Base-Backbone interact. energy: -3.398 local terms energy: -735.232117 where: bonds (distance) C4'-P energy: -126.067 bonds (distance) P-C4' energy: -125.668 flat angles C4'-P-C4' energy: -152.207 flat angles P-C4'-P energy: -114.181 tors. eta vs tors. theta energy: -217.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2531.180343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.180343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.180343 (E_RNA) where: Base-Base interactions energy: -1837.841 where: short stacking energy: -738.860 Base-Backbone interact. energy: -3.453 local terms energy: -689.887094 where: bonds (distance) C4'-P energy: -115.306 bonds (distance) P-C4' energy: -108.789 flat angles C4'-P-C4' energy: -148.676 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -219.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2504.997132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.997132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.997132 (E_RNA) where: Base-Base interactions energy: -1778.998 where: short stacking energy: -708.830 Base-Backbone interact. energy: 1.763 local terms energy: -727.761944 where: bonds (distance) C4'-P energy: -118.780 bonds (distance) P-C4' energy: -126.769 flat angles C4'-P-C4' energy: -151.375 flat angles P-C4'-P energy: -100.504 tors. eta vs tors. theta energy: -230.334 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: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2359.939268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.939268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.939268 (E_RNA) where: Base-Base interactions energy: -1629.649 where: short stacking energy: -675.409 Base-Backbone interact. energy: -2.956 local terms energy: -727.333777 where: bonds (distance) C4'-P energy: -148.356 bonds (distance) P-C4' energy: -127.263 flat angles C4'-P-C4' energy: -137.020 flat angles P-C4'-P energy: -100.576 tors. eta vs tors. theta energy: -214.118 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: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2339.289080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.289080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.289080 (E_RNA) where: Base-Base interactions energy: -1648.392 where: short stacking energy: -659.577 Base-Backbone interact. energy: -1.424 local terms energy: -689.472621 where: bonds (distance) C4'-P energy: -111.285 bonds (distance) P-C4' energy: -125.339 flat angles C4'-P-C4' energy: -143.042 flat angles P-C4'-P energy: -94.749 tors. eta vs tors. theta energy: -215.057 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: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2267.714549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.714549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.714549 (E_RNA) where: Base-Base interactions energy: -1567.784 where: short stacking energy: -645.831 Base-Backbone interact. energy: 0.663 local terms energy: -700.593777 where: bonds (distance) C4'-P energy: -133.674 bonds (distance) P-C4' energy: -110.029 flat angles C4'-P-C4' energy: -135.068 flat angles P-C4'-P energy: -109.315 tors. eta vs tors. theta energy: -212.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1701.589770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.589770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.589770 (E_RNA) where: Base-Base interactions energy: -1165.756 where: short stacking energy: -491.255 Base-Backbone interact. energy: 11.008 local terms energy: -546.841149 where: bonds (distance) C4'-P energy: -109.068 bonds (distance) P-C4' energy: -116.584 flat angles C4'-P-C4' energy: -119.652 flat angles P-C4'-P energy: -82.902 tors. eta vs tors. theta energy: -118.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1649.558232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.558232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.558232 (E_RNA) where: Base-Base interactions energy: -1122.439 where: short stacking energy: -464.944 Base-Backbone interact. energy: 5.158 local terms energy: -532.276531 where: bonds (distance) C4'-P energy: -121.473 bonds (distance) P-C4' energy: -115.542 flat angles C4'-P-C4' energy: -123.332 flat angles P-C4'-P energy: -61.390 tors. eta vs tors. theta energy: -110.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1207.912445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.912445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.912445 (E_RNA) where: Base-Base interactions energy: -746.101 where: short stacking energy: -356.619 Base-Backbone interact. energy: -0.960 local terms energy: -460.851397 where: bonds (distance) C4'-P energy: -88.937 bonds (distance) P-C4' energy: -100.027 flat angles C4'-P-C4' energy: -110.774 flat angles P-C4'-P energy: -84.947 tors. eta vs tors. theta energy: -76.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2696.565190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.565190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.565190 (E_RNA) where: Base-Base interactions energy: -1924.376 where: short stacking energy: -783.949 Base-Backbone interact. energy: -1.679 local terms energy: -770.510693 where: bonds (distance) C4'-P energy: -127.311 bonds (distance) P-C4' energy: -138.322 flat angles C4'-P-C4' energy: -155.215 flat angles P-C4'-P energy: -107.080 tors. eta vs tors. theta energy: -242.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2629.251168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.251168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.251168 (E_RNA) where: Base-Base interactions energy: -1904.627 where: short stacking energy: -746.796 Base-Backbone interact. energy: -1.160 local terms energy: -723.464371 where: bonds (distance) C4'-P energy: -117.550 bonds (distance) P-C4' energy: -128.963 flat angles C4'-P-C4' energy: -152.035 flat angles P-C4'-P energy: -108.566 tors. eta vs tors. theta energy: -216.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2537.709660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.709660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.709660 (E_RNA) where: Base-Base interactions energy: -1818.267 where: short stacking energy: -740.817 Base-Backbone interact. energy: -1.181 local terms energy: -718.262008 where: bonds (distance) C4'-P energy: -121.312 bonds (distance) P-C4' energy: -139.740 flat angles C4'-P-C4' energy: -146.380 flat angles P-C4'-P energy: -95.603 tors. eta vs tors. theta energy: -215.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2502.217731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.217731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.217731 (E_RNA) where: Base-Base interactions energy: -1757.522 where: short stacking energy: -717.300 Base-Backbone interact. energy: -3.341 local terms energy: -741.355138 where: bonds (distance) C4'-P energy: -131.400 bonds (distance) P-C4' energy: -125.727 flat angles C4'-P-C4' energy: -152.689 flat angles P-C4'-P energy: -116.828 tors. eta vs tors. theta energy: -214.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2386.439369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.439369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.439369 (E_RNA) where: Base-Base interactions energy: -1682.524 where: short stacking energy: -686.289 Base-Backbone interact. energy: 0.794 local terms energy: -704.709863 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -116.673 flat angles C4'-P-C4' energy: -144.591 flat angles P-C4'-P energy: -96.840 tors. eta vs tors. theta energy: -228.026 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: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2340.504247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.504247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.504247 (E_RNA) where: Base-Base interactions energy: -1637.888 where: short stacking energy: -681.485 Base-Backbone interact. energy: -2.039 local terms energy: -700.576706 where: bonds (distance) C4'-P energy: -119.235 bonds (distance) P-C4' energy: -127.916 flat angles C4'-P-C4' energy: -151.353 flat angles P-C4'-P energy: -83.334 tors. eta vs tors. theta energy: -218.739 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: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2190.192427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.192427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.192427 (E_RNA) where: Base-Base interactions energy: -1592.008 where: short stacking energy: -633.894 Base-Backbone interact. energy: -0.859 local terms energy: -597.325424 where: bonds (distance) C4'-P energy: -90.558 bonds (distance) P-C4' energy: -104.128 flat angles C4'-P-C4' energy: -126.706 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -200.744 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: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1759.462221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.462221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.462221 (E_RNA) where: Base-Base interactions energy: -1228.697 where: short stacking energy: -498.421 Base-Backbone interact. energy: 1.368 local terms energy: -532.133154 where: bonds (distance) C4'-P energy: -111.844 bonds (distance) P-C4' energy: -106.475 flat angles C4'-P-C4' energy: -119.658 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -119.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1607.000580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.000580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.000580 (E_RNA) where: Base-Base interactions energy: -1113.745 where: short stacking energy: -449.467 Base-Backbone interact. energy: 4.803 local terms energy: -498.058371 where: bonds (distance) C4'-P energy: -106.106 bonds (distance) P-C4' energy: -107.900 flat angles C4'-P-C4' energy: -109.748 flat angles P-C4'-P energy: -64.498 tors. eta vs tors. theta energy: -109.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1198.387943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.387943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.387943 (E_RNA) where: Base-Base interactions energy: -770.764 where: short stacking energy: -356.543 Base-Backbone interact. energy: 2.918 local terms energy: -430.541974 where: bonds (distance) C4'-P energy: -94.387 bonds (distance) P-C4' energy: -124.166 flat angles C4'-P-C4' energy: -107.591 flat angles P-C4'-P energy: -61.164 tors. eta vs tors. theta energy: -43.234 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: 343 Temperature: 0.900000 Total energy: -2709.432120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.432120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.432120 (E_RNA) where: Base-Base interactions energy: -1932.657 where: short stacking energy: -795.604 Base-Backbone interact. energy: -2.757 local terms energy: -774.018025 where: bonds (distance) C4'-P energy: -124.860 bonds (distance) P-C4' energy: -120.663 flat angles C4'-P-C4' energy: -159.593 flat angles P-C4'-P energy: -117.644 tors. eta vs tors. theta energy: -251.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2641.421820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.421820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.421820 (E_RNA) where: Base-Base interactions energy: -1920.616 where: short stacking energy: -752.439 Base-Backbone interact. energy: -2.133 local terms energy: -718.672692 where: bonds (distance) C4'-P energy: -121.389 bonds (distance) P-C4' energy: -126.983 flat angles C4'-P-C4' energy: -148.788 flat angles P-C4'-P energy: -95.973 tors. eta vs tors. theta energy: -225.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2537.445055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.445055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.445055 (E_RNA) where: Base-Base interactions energy: -1794.193 where: short stacking energy: -720.686 Base-Backbone interact. energy: -1.479 local terms energy: -741.772434 where: bonds (distance) C4'-P energy: -140.699 bonds (distance) P-C4' energy: -127.515 flat angles C4'-P-C4' energy: -154.474 flat angles P-C4'-P energy: -99.793 tors. eta vs tors. theta energy: -219.292 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: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2494.800814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.800814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.800814 (E_RNA) where: Base-Base interactions energy: -1772.431 where: short stacking energy: -707.745 Base-Backbone interact. energy: -1.736 local terms energy: -720.634100 where: bonds (distance) C4'-P energy: -119.836 bonds (distance) P-C4' energy: -132.823 flat angles C4'-P-C4' energy: -148.689 flat angles P-C4'-P energy: -99.479 tors. eta vs tors. theta energy: -219.807 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: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2369.777114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.777114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.777114 (E_RNA) where: Base-Base interactions energy: -1681.677 where: short stacking energy: -678.969 Base-Backbone interact. energy: 0.285 local terms energy: -688.384813 where: bonds (distance) C4'-P energy: -112.892 bonds (distance) P-C4' energy: -128.099 flat angles C4'-P-C4' energy: -144.375 flat angles P-C4'-P energy: -81.847 tors. eta vs tors. theta energy: -221.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2301.944896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.944896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.944896 (E_RNA) where: Base-Base interactions energy: -1636.496 where: short stacking energy: -692.366 Base-Backbone interact. energy: -0.935 local terms energy: -664.514484 where: bonds (distance) C4'-P energy: -108.364 bonds (distance) P-C4' energy: -115.271 flat angles C4'-P-C4' energy: -132.254 flat angles P-C4'-P energy: -90.119 tors. eta vs tors. theta energy: -218.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2204.053626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.053626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.053626 (E_RNA) where: Base-Base interactions energy: -1569.088 where: short stacking energy: -646.601 Base-Backbone interact. energy: -0.209 local terms energy: -634.756932 where: bonds (distance) C4'-P energy: -109.004 bonds (distance) P-C4' energy: -118.727 flat angles C4'-P-C4' energy: -128.132 flat angles P-C4'-P energy: -81.983 tors. eta vs tors. theta energy: -196.910 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: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1737.571496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.571496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.571496 (E_RNA) where: Base-Base interactions energy: -1238.689 where: short stacking energy: -510.096 Base-Backbone interact. energy: -1.818 local terms energy: -497.064648 where: bonds (distance) C4'-P energy: -92.704 bonds (distance) P-C4' energy: -105.738 flat angles C4'-P-C4' energy: -109.195 flat angles P-C4'-P energy: -70.953 tors. eta vs tors. theta energy: -118.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1594.816162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.816162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.816162 (E_RNA) where: Base-Base interactions energy: -1088.279 where: short stacking energy: -440.074 Base-Backbone interact. energy: -2.716 local terms energy: -503.821049 where: bonds (distance) C4'-P energy: -87.756 bonds (distance) P-C4' energy: -120.177 flat angles C4'-P-C4' energy: -111.615 flat angles P-C4'-P energy: -76.088 tors. eta vs tors. theta energy: -108.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1211.821239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.821239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.821239 (E_RNA) where: Base-Base interactions energy: -775.203 where: short stacking energy: -354.552 Base-Backbone interact. energy: 0.928 local terms energy: -437.547106 where: bonds (distance) C4'-P energy: -89.668 bonds (distance) P-C4' energy: -118.557 flat angles C4'-P-C4' energy: -124.690 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -49.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2698.911318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.911318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.911318 (E_RNA) where: Base-Base interactions energy: -1924.522 where: short stacking energy: -787.487 Base-Backbone interact. energy: -0.894 local terms energy: -773.495765 where: bonds (distance) C4'-P energy: -128.364 bonds (distance) P-C4' energy: -125.261 flat angles C4'-P-C4' energy: -166.426 flat angles P-C4'-P energy: -104.427 tors. eta vs tors. theta energy: -249.018 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: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2613.411057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.411057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.411057 (E_RNA) where: Base-Base interactions energy: -1890.738 where: short stacking energy: -727.227 Base-Backbone interact. energy: -1.162 local terms energy: -721.511377 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -148.395 flat angles P-C4'-P energy: -104.872 tors. eta vs tors. theta energy: -211.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2562.774652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.774652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.774652 (E_RNA) where: Base-Base interactions energy: -1808.803 where: short stacking energy: -728.475 Base-Backbone interact. energy: -0.863 local terms energy: -753.108779 where: bonds (distance) C4'-P energy: -127.147 bonds (distance) P-C4' energy: -137.102 flat angles C4'-P-C4' energy: -154.764 flat angles P-C4'-P energy: -97.374 tors. eta vs tors. theta energy: -236.723 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: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2467.891146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.891146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.891146 (E_RNA) where: Base-Base interactions energy: -1769.463 where: short stacking energy: -713.872 Base-Backbone interact. energy: -2.042 local terms energy: -696.386065 where: bonds (distance) C4'-P energy: -117.946 bonds (distance) P-C4' energy: -123.333 flat angles C4'-P-C4' energy: -150.908 flat angles P-C4'-P energy: -91.876 tors. eta vs tors. theta energy: -212.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2404.348204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.348204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.348204 (E_RNA) where: Base-Base interactions energy: -1718.377 where: short stacking energy: -704.433 Base-Backbone interact. energy: -0.424 local terms energy: -685.547617 where: bonds (distance) C4'-P energy: -113.602 bonds (distance) P-C4' energy: -117.731 flat angles C4'-P-C4' energy: -138.856 flat angles P-C4'-P energy: -104.319 tors. eta vs tors. theta energy: -211.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2263.609441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.609441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.609441 (E_RNA) where: Base-Base interactions energy: -1602.212 where: short stacking energy: -651.863 Base-Backbone interact. energy: -2.185 local terms energy: -659.212833 where: bonds (distance) C4'-P energy: -110.798 bonds (distance) P-C4' energy: -104.382 flat angles C4'-P-C4' energy: -139.141 flat angles P-C4'-P energy: -100.213 tors. eta vs tors. theta energy: -204.679 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: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2199.095135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.095135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.095135 (E_RNA) where: Base-Base interactions energy: -1576.038 where: short stacking energy: -635.291 Base-Backbone interact. energy: -0.663 local terms energy: -622.394096 where: bonds (distance) C4'-P energy: -111.119 bonds (distance) P-C4' energy: -97.606 flat angles C4'-P-C4' energy: -119.408 flat angles P-C4'-P energy: -86.912 tors. eta vs tors. theta energy: -207.350 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: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1828.649858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.649858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.649858 (E_RNA) where: Base-Base interactions energy: -1270.103 where: short stacking energy: -513.722 Base-Backbone interact. energy: -2.222 local terms energy: -556.324112 where: bonds (distance) C4'-P energy: -110.617 bonds (distance) P-C4' energy: -109.266 flat angles C4'-P-C4' energy: -125.494 flat angles P-C4'-P energy: -79.490 tors. eta vs tors. theta energy: -131.458 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: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1595.226413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.226413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.226413 (E_RNA) where: Base-Base interactions energy: -1049.237 where: short stacking energy: -437.702 Base-Backbone interact. energy: -2.215 local terms energy: -543.774227 where: bonds (distance) C4'-P energy: -108.090 bonds (distance) P-C4' energy: -117.005 flat angles C4'-P-C4' energy: -144.278 flat angles P-C4'-P energy: -74.975 tors. eta vs tors. theta energy: -99.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1197.241622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.241622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.241622 (E_RNA) where: Base-Base interactions energy: -733.597 where: short stacking energy: -331.426 Base-Backbone interact. energy: 0.438 local terms energy: -464.082815 where: bonds (distance) C4'-P energy: -100.343 bonds (distance) P-C4' energy: -132.613 flat angles C4'-P-C4' energy: -99.968 flat angles P-C4'-P energy: -72.504 tors. eta vs tors. theta energy: -58.656 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: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2698.265735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.265735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.265735 (E_RNA) where: Base-Base interactions energy: -1895.155 where: short stacking energy: -794.667 Base-Backbone interact. energy: -0.942 local terms energy: -802.169174 where: bonds (distance) C4'-P energy: -143.221 bonds (distance) P-C4' energy: -140.655 flat angles C4'-P-C4' energy: -157.922 flat angles P-C4'-P energy: -116.585 tors. eta vs tors. theta energy: -243.786 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: 9 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2606.582786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.582786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.582786 (E_RNA) where: Base-Base interactions energy: -1881.876 where: short stacking energy: -748.269 Base-Backbone interact. energy: 1.157 local terms energy: -725.863741 where: bonds (distance) C4'-P energy: -120.076 bonds (distance) P-C4' energy: -125.527 flat angles C4'-P-C4' energy: -147.495 flat angles P-C4'-P energy: -106.308 tors. eta vs tors. theta energy: -226.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2557.260801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.260801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.260801 (E_RNA) where: Base-Base interactions energy: -1803.820 where: short stacking energy: -725.443 Base-Backbone interact. energy: -3.543 local terms energy: -749.897154 where: bonds (distance) C4'-P energy: -126.753 bonds (distance) P-C4' energy: -137.078 flat angles C4'-P-C4' energy: -152.532 flat angles P-C4'-P energy: -102.991 tors. eta vs tors. theta energy: -230.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2496.918347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.918347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.918347 (E_RNA) where: Base-Base interactions energy: -1781.315 where: short stacking energy: -714.341 Base-Backbone interact. energy: 3.668 local terms energy: -719.271983 where: bonds (distance) C4'-P energy: -113.411 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -161.515 flat angles P-C4'-P energy: -103.825 tors. eta vs tors. theta energy: -214.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2428.186529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.186529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.186529 (E_RNA) where: Base-Base interactions energy: -1723.546 where: short stacking energy: -716.924 Base-Backbone interact. energy: -2.969 local terms energy: -701.671341 where: bonds (distance) C4'-P energy: -113.552 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -149.396 flat angles P-C4'-P energy: -92.962 tors. eta vs tors. theta energy: -231.706 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: 6, replica: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2323.618153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.618153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.618153 (E_RNA) where: Base-Base interactions energy: -1638.577 where: short stacking energy: -685.422 Base-Backbone interact. energy: -2.513 local terms energy: -682.527802 where: bonds (distance) C4'-P energy: -98.122 bonds (distance) P-C4' energy: -129.787 flat angles C4'-P-C4' energy: -136.148 flat angles P-C4'-P energy: -98.353 tors. eta vs tors. theta energy: -220.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2155.490047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.490047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.490047 (E_RNA) where: Base-Base interactions energy: -1535.873 where: short stacking energy: -639.706 Base-Backbone interact. energy: 4.702 local terms energy: -624.319068 where: bonds (distance) C4'-P energy: -101.042 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -142.571 flat angles P-C4'-P energy: -87.749 tors. eta vs tors. theta energy: -191.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1807.771749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.771749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.771749 (E_RNA) where: Base-Base interactions energy: -1270.835 where: short stacking energy: -520.074 Base-Backbone interact. energy: -2.037 local terms energy: -534.900096 where: bonds (distance) C4'-P energy: -114.594 bonds (distance) P-C4' energy: -89.702 flat angles C4'-P-C4' energy: -115.082 flat angles P-C4'-P energy: -96.174 tors. eta vs tors. theta energy: -119.348 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: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1609.395434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.395434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.395434 (E_RNA) where: Base-Base interactions energy: -1087.053 where: short stacking energy: -441.917 Base-Backbone interact. energy: 1.655 local terms energy: -523.997744 where: bonds (distance) C4'-P energy: -113.895 bonds (distance) P-C4' energy: -107.950 flat angles C4'-P-C4' energy: -108.441 flat angles P-C4'-P energy: -77.258 tors. eta vs tors. theta energy: -116.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1119.631756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.631756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.631756 (E_RNA) where: Base-Base interactions energy: -698.373 where: short stacking energy: -305.319 Base-Backbone interact. energy: -1.306 local terms energy: -419.952624 where: bonds (distance) C4'-P energy: -93.287 bonds (distance) P-C4' energy: -112.533 flat angles C4'-P-C4' energy: -96.036 flat angles P-C4'-P energy: -62.462 tors. eta vs tors. theta energy: -55.635 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: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2692.980294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.980294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.980294 (E_RNA) where: Base-Base interactions energy: -1897.403 where: short stacking energy: -788.842 Base-Backbone interact. energy: 0.100 local terms energy: -795.678128 where: bonds (distance) C4'-P energy: -127.645 bonds (distance) P-C4' energy: -135.060 flat angles C4'-P-C4' energy: -162.980 flat angles P-C4'-P energy: -120.975 tors. eta vs tors. theta energy: -249.018 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: 9 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2598.092227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.092227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.092227 (E_RNA) where: Base-Base interactions energy: -1881.565 where: short stacking energy: -747.543 Base-Backbone interact. energy: -2.510 local terms energy: -714.017671 where: bonds (distance) C4'-P energy: -125.506 bonds (distance) P-C4' energy: -128.860 flat angles C4'-P-C4' energy: -147.163 flat angles P-C4'-P energy: -97.260 tors. eta vs tors. theta energy: -215.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2566.939620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.939620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.939620 (E_RNA) where: Base-Base interactions energy: -1834.516 where: short stacking energy: -761.573 Base-Backbone interact. energy: -2.621 local terms energy: -729.803119 where: bonds (distance) C4'-P energy: -120.014 bonds (distance) P-C4' energy: -129.560 flat angles C4'-P-C4' energy: -147.493 flat angles P-C4'-P energy: -99.028 tors. eta vs tors. theta energy: -233.709 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: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2511.911167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.911167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.911167 (E_RNA) where: Base-Base interactions energy: -1808.870 where: short stacking energy: -734.943 Base-Backbone interact. energy: -1.987 local terms energy: -701.054594 where: bonds (distance) C4'-P energy: -127.667 bonds (distance) P-C4' energy: -118.883 flat angles C4'-P-C4' energy: -152.798 flat angles P-C4'-P energy: -90.929 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: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2410.058152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.058152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.058152 (E_RNA) where: Base-Base interactions energy: -1709.328 where: short stacking energy: -704.271 Base-Backbone interact. energy: -0.532 local terms energy: -700.197989 where: bonds (distance) C4'-P energy: -113.659 bonds (distance) P-C4' energy: -105.406 flat angles C4'-P-C4' energy: -148.966 flat angles P-C4'-P energy: -106.293 tors. eta vs tors. theta energy: -225.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2302.158111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.158111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.158111 (E_RNA) where: Base-Base interactions energy: -1642.126 where: short stacking energy: -668.890 Base-Backbone interact. energy: 5.124 local terms energy: -665.155652 where: bonds (distance) C4'-P energy: -110.840 bonds (distance) P-C4' energy: -115.509 flat angles C4'-P-C4' energy: -129.922 flat angles P-C4'-P energy: -88.150 tors. eta vs tors. theta energy: -220.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2142.534351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.534351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.534351 (E_RNA) where: Base-Base interactions energy: -1512.943 where: short stacking energy: -628.553 Base-Backbone interact. energy: 7.156 local terms energy: -636.746769 where: bonds (distance) C4'-P energy: -97.036 bonds (distance) P-C4' energy: -120.211 flat angles C4'-P-C4' energy: -129.361 flat angles P-C4'-P energy: -93.725 tors. eta vs tors. theta energy: -196.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1777.061267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.061267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.061267 (E_RNA) where: Base-Base interactions energy: -1210.689 where: short stacking energy: -525.667 Base-Backbone interact. energy: 1.580 local terms energy: -567.952091 where: bonds (distance) C4'-P energy: -106.429 bonds (distance) P-C4' energy: -122.953 flat angles C4'-P-C4' energy: -130.452 flat angles P-C4'-P energy: -83.281 tors. eta vs tors. theta energy: -124.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1568.304776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.304776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.304776 (E_RNA) where: Base-Base interactions energy: -1050.080 where: short stacking energy: -428.474 Base-Backbone interact. energy: -2.069 local terms energy: -516.155779 where: bonds (distance) C4'-P energy: -106.304 bonds (distance) P-C4' energy: -119.460 flat angles C4'-P-C4' energy: -128.579 flat angles P-C4'-P energy: -70.397 tors. eta vs tors. theta energy: -91.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1094.111482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.111482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.111482 (E_RNA) where: Base-Base interactions energy: -679.772 where: short stacking energy: -334.439 Base-Backbone interact. energy: -1.996 local terms energy: -412.343066 where: bonds (distance) C4'-P energy: -92.769 bonds (distance) P-C4' energy: -89.134 flat angles C4'-P-C4' energy: -100.242 flat angles P-C4'-P energy: -65.118 tors. eta vs tors. theta energy: -65.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2698.016883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.016883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.016883 (E_RNA) where: Base-Base interactions energy: -1890.659 where: short stacking energy: -772.859 Base-Backbone interact. energy: 1.506 local terms energy: -808.863767 where: bonds (distance) C4'-P energy: -140.044 bonds (distance) P-C4' energy: -138.761 flat angles C4'-P-C4' energy: -162.766 flat angles P-C4'-P energy: -121.714 tors. eta vs tors. theta energy: -245.578 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: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2639.247785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.247785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.247785 (E_RNA) where: Base-Base interactions energy: -1897.657 where: short stacking energy: -731.433 Base-Backbone interact. energy: -0.472 local terms energy: -741.118157 where: bonds (distance) C4'-P energy: -130.052 bonds (distance) P-C4' energy: -137.921 flat angles C4'-P-C4' energy: -144.267 flat angles P-C4'-P energy: -109.343 tors. eta vs tors. theta energy: -219.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2574.024670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.024670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.024670 (E_RNA) where: Base-Base interactions energy: -1838.355 where: short stacking energy: -740.629 Base-Backbone interact. energy: -1.150 local terms energy: -734.520253 where: bonds (distance) C4'-P energy: -137.021 bonds (distance) P-C4' energy: -125.550 flat angles C4'-P-C4' energy: -153.177 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -229.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2476.688700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.688700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.688700 (E_RNA) where: Base-Base interactions energy: -1800.491 where: short stacking energy: -724.499 Base-Backbone interact. energy: -3.713 local terms energy: -672.485303 where: bonds (distance) C4'-P energy: -109.754 bonds (distance) P-C4' energy: -123.980 flat angles C4'-P-C4' energy: -151.736 flat angles P-C4'-P energy: -76.620 tors. eta vs tors. theta energy: -210.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2447.690338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.690338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.690338 (E_RNA) where: Base-Base interactions energy: -1735.249 where: short stacking energy: -724.196 Base-Backbone interact. energy: -3.471 local terms energy: -708.971200 where: bonds (distance) C4'-P energy: -128.768 bonds (distance) P-C4' energy: -107.220 flat angles C4'-P-C4' energy: -146.754 flat angles P-C4'-P energy: -107.492 tors. eta vs tors. theta energy: -218.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2357.815661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.815661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.815661 (E_RNA) where: Base-Base interactions energy: -1641.288 where: short stacking energy: -696.325 Base-Backbone interact. energy: 2.684 local terms energy: -719.212080 where: bonds (distance) C4'-P energy: -117.126 bonds (distance) P-C4' energy: -133.050 flat angles C4'-P-C4' energy: -147.009 flat angles P-C4'-P energy: -100.634 tors. eta vs tors. theta energy: -221.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2187.050165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.050165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.050165 (E_RNA) where: Base-Base interactions energy: -1541.069 where: short stacking energy: -655.104 Base-Backbone interact. energy: -2.132 local terms energy: -643.848531 where: bonds (distance) C4'-P energy: -113.633 bonds (distance) P-C4' energy: -111.243 flat angles C4'-P-C4' energy: -118.849 flat angles P-C4'-P energy: -91.622 tors. eta vs tors. theta energy: -208.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1732.759763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.759763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.759763 (E_RNA) where: Base-Base interactions energy: -1199.174 where: short stacking energy: -505.771 Base-Backbone interact. energy: 4.684 local terms energy: -538.269474 where: bonds (distance) C4'-P energy: -99.643 bonds (distance) P-C4' energy: -110.412 flat angles C4'-P-C4' energy: -132.167 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -123.904 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: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1642.476431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.476431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.476431 (E_RNA) where: Base-Base interactions energy: -1089.062 where: short stacking energy: -438.862 Base-Backbone interact. energy: 0.783 local terms energy: -554.197621 where: bonds (distance) C4'-P energy: -109.274 bonds (distance) P-C4' energy: -116.688 flat angles C4'-P-C4' energy: -130.004 flat angles P-C4'-P energy: -88.301 tors. eta vs tors. theta energy: -109.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1170.941943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.941943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.941943 (E_RNA) where: Base-Base interactions energy: -731.218 where: short stacking energy: -323.946 Base-Backbone interact. energy: 3.515 local terms energy: -443.238040 where: bonds (distance) C4'-P energy: -102.877 bonds (distance) P-C4' energy: -100.726 flat angles C4'-P-C4' energy: -94.476 flat angles P-C4'-P energy: -68.698 tors. eta vs tors. theta energy: -76.460 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: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2709.706975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.706975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.706975 (E_RNA) where: Base-Base interactions energy: -1933.532 where: short stacking energy: -772.988 Base-Backbone interact. energy: -1.178 local terms energy: -774.996556 where: bonds (distance) C4'-P energy: -128.801 bonds (distance) P-C4' energy: -138.481 flat angles C4'-P-C4' energy: -159.967 flat angles P-C4'-P energy: -105.620 tors. eta vs tors. theta energy: -242.128 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: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2620.001372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.001372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.001372 (E_RNA) where: Base-Base interactions energy: -1859.884 where: short stacking energy: -752.041 Base-Backbone interact. energy: -3.282 local terms energy: -756.835061 where: bonds (distance) C4'-P energy: -133.073 bonds (distance) P-C4' energy: -142.592 flat angles C4'-P-C4' energy: -154.383 flat angles P-C4'-P energy: -98.974 tors. eta vs tors. theta energy: -227.813 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: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2571.968620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.968620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.968620 (E_RNA) where: Base-Base interactions energy: -1820.892 where: short stacking energy: -746.983 Base-Backbone interact. energy: -2.042 local terms energy: -749.035337 where: bonds (distance) C4'-P energy: -133.862 bonds (distance) P-C4' energy: -129.038 flat angles C4'-P-C4' energy: -148.415 flat angles P-C4'-P energy: -106.223 tors. eta vs tors. theta energy: -231.499 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: 4, replica: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2470.727509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.727509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.727509 (E_RNA) where: Base-Base interactions energy: -1748.503 where: short stacking energy: -710.255 Base-Backbone interact. energy: 0.026 local terms energy: -722.251345 where: bonds (distance) C4'-P energy: -127.092 bonds (distance) P-C4' energy: -135.240 flat angles C4'-P-C4' energy: -159.209 flat angles P-C4'-P energy: -90.206 tors. eta vs tors. theta energy: -210.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2391.367977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.367977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.367977 (E_RNA) where: Base-Base interactions energy: -1684.132 where: short stacking energy: -686.227 Base-Backbone interact. energy: -0.871 local terms energy: -706.365299 where: bonds (distance) C4'-P energy: -114.945 bonds (distance) P-C4' energy: -121.356 flat angles C4'-P-C4' energy: -137.905 flat angles P-C4'-P energy: -109.325 tors. eta vs tors. theta energy: -222.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2319.596202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.596202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.596202 (E_RNA) where: Base-Base interactions energy: -1639.139 where: short stacking energy: -684.267 Base-Backbone interact. energy: -1.971 local terms energy: -678.486261 where: bonds (distance) C4'-P energy: -128.435 bonds (distance) P-C4' energy: -112.166 flat angles C4'-P-C4' energy: -134.651 flat angles P-C4'-P energy: -89.735 tors. eta vs tors. theta energy: -213.499 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: 348 Temperature: 1.200000 Total energy: -2190.180087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.180087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.180087 (E_RNA) where: Base-Base interactions energy: -1570.508 where: short stacking energy: -645.536 Base-Backbone interact. energy: 1.503 local terms energy: -621.175852 where: bonds (distance) C4'-P energy: -97.897 bonds (distance) P-C4' energy: -108.744 flat angles C4'-P-C4' energy: -134.048 flat angles P-C4'-P energy: -82.067 tors. eta vs tors. theta energy: -198.420 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: 348 Temperature: 1.250000 Total energy: -1722.427286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.427286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.427286 (E_RNA) where: Base-Base interactions energy: -1194.045 where: short stacking energy: -489.965 Base-Backbone interact. energy: -4.352 local terms energy: -524.030712 where: bonds (distance) C4'-P energy: -109.804 bonds (distance) P-C4' energy: -104.885 flat angles C4'-P-C4' energy: -112.580 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -123.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1627.939878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.939878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.939878 (E_RNA) where: Base-Base interactions energy: -1103.946 where: short stacking energy: -473.366 Base-Backbone interact. energy: 0.398 local terms energy: -524.392657 where: bonds (distance) C4'-P energy: -108.644 bonds (distance) P-C4' energy: -97.981 flat angles C4'-P-C4' energy: -126.896 flat angles P-C4'-P energy: -70.339 tors. eta vs tors. theta energy: -120.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1174.921450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.921450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.921450 (E_RNA) where: Base-Base interactions energy: -743.259 where: short stacking energy: -349.513 Base-Backbone interact. energy: 2.616 local terms energy: -434.279353 where: bonds (distance) C4'-P energy: -88.922 bonds (distance) P-C4' energy: -102.425 flat angles C4'-P-C4' energy: -111.699 flat angles P-C4'-P energy: -63.352 tors. eta vs tors. theta energy: -67.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2693.206105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.206105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.206105 (E_RNA) where: Base-Base interactions energy: -1913.509 where: short stacking energy: -774.204 Base-Backbone interact. energy: -0.993 local terms energy: -778.703885 where: bonds (distance) C4'-P energy: -121.323 bonds (distance) P-C4' energy: -142.144 flat angles C4'-P-C4' energy: -163.929 flat angles P-C4'-P energy: -105.993 tors. eta vs tors. theta energy: -245.314 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: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2600.237482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.237482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.237482 (E_RNA) where: Base-Base interactions energy: -1838.296 where: short stacking energy: -746.375 Base-Backbone interact. energy: -2.594 local terms energy: -759.347085 where: bonds (distance) C4'-P energy: -138.980 bonds (distance) P-C4' energy: -127.163 flat angles C4'-P-C4' energy: -154.304 flat angles P-C4'-P energy: -106.946 tors. eta vs tors. theta energy: -231.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2573.589816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.589816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.589816 (E_RNA) where: Base-Base interactions energy: -1843.292 where: short stacking energy: -714.214 Base-Backbone interact. energy: -2.608 local terms energy: -727.689509 where: bonds (distance) C4'-P energy: -125.855 bonds (distance) P-C4' energy: -125.117 flat angles C4'-P-C4' energy: -153.938 flat angles P-C4'-P energy: -99.399 tors. eta vs tors. theta energy: -223.380 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: 349 Temperature: 1.050000 Total energy: -2498.085981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.085981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.085981 (E_RNA) where: Base-Base interactions energy: -1807.036 where: short stacking energy: -721.718 Base-Backbone interact. energy: 2.741 local terms energy: -693.790813 where: bonds (distance) C4'-P energy: -110.767 bonds (distance) P-C4' energy: -114.992 flat angles C4'-P-C4' energy: -144.966 flat angles P-C4'-P energy: -104.986 tors. eta vs tors. theta energy: -218.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2384.627925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.627925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.627925 (E_RNA) where: Base-Base interactions energy: -1696.452 where: short stacking energy: -691.938 Base-Backbone interact. energy: 1.326 local terms energy: -689.501288 where: bonds (distance) C4'-P energy: -112.807 bonds (distance) P-C4' energy: -118.510 flat angles C4'-P-C4' energy: -141.213 flat angles P-C4'-P energy: -92.468 tors. eta vs tors. theta energy: -224.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2311.152103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.152103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.152103 (E_RNA) where: Base-Base interactions energy: -1633.314 where: short stacking energy: -669.851 Base-Backbone interact. energy: 0.704 local terms energy: -678.541642 where: bonds (distance) C4'-P energy: -107.233 bonds (distance) P-C4' energy: -114.322 flat angles C4'-P-C4' energy: -148.583 flat angles P-C4'-P energy: -89.520 tors. eta vs tors. theta energy: -218.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2263.589727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.589727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.589727 (E_RNA) where: Base-Base interactions energy: -1605.953 where: short stacking energy: -668.302 Base-Backbone interact. energy: -1.453 local terms energy: -656.184089 where: bonds (distance) C4'-P energy: -108.463 bonds (distance) P-C4' energy: -104.621 flat angles C4'-P-C4' energy: -145.269 flat angles P-C4'-P energy: -86.850 tors. eta vs tors. theta energy: -210.982 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: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1736.745747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.745747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.745747 (E_RNA) where: Base-Base interactions energy: -1213.251 where: short stacking energy: -517.561 Base-Backbone interact. energy: -2.018 local terms energy: -521.476868 where: bonds (distance) C4'-P energy: -90.496 bonds (distance) P-C4' energy: -108.081 flat angles C4'-P-C4' energy: -123.142 flat angles P-C4'-P energy: -78.119 tors. eta vs tors. theta energy: -121.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1623.043424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.043424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.043424 (E_RNA) where: Base-Base interactions energy: -1146.086 where: short stacking energy: -471.093 Base-Backbone interact. energy: -1.065 local terms energy: -475.892637 where: bonds (distance) C4'-P energy: -102.945 bonds (distance) P-C4' energy: -110.808 flat angles C4'-P-C4' energy: -103.896 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -101.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1147.330082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.330082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.330082 (E_RNA) where: Base-Base interactions energy: -720.894 where: short stacking energy: -307.107 Base-Backbone interact. energy: -1.464 local terms energy: -424.971752 where: bonds (distance) C4'-P energy: -101.952 bonds (distance) P-C4' energy: -102.829 flat angles C4'-P-C4' energy: -114.298 flat angles P-C4'-P energy: -64.337 tors. eta vs tors. theta energy: -41.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2727.510674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.510674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.510674 (E_RNA) where: Base-Base interactions energy: -1920.007 where: short stacking energy: -797.500 Base-Backbone interact. energy: -2.350 local terms energy: -805.153738 where: bonds (distance) C4'-P energy: -142.785 bonds (distance) P-C4' energy: -141.178 flat angles C4'-P-C4' energy: -168.261 flat angles P-C4'-P energy: -107.077 tors. eta vs tors. theta energy: -245.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2611.463301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.463301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.463301 (E_RNA) where: Base-Base interactions energy: -1854.838 where: short stacking energy: -742.604 Base-Backbone interact. energy: -1.766 local terms energy: -754.859334 where: bonds (distance) C4'-P energy: -135.048 bonds (distance) P-C4' energy: -131.237 flat angles C4'-P-C4' energy: -148.824 flat angles P-C4'-P energy: -107.383 tors. eta vs tors. theta energy: -232.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2574.541460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.541460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.541460 (E_RNA) where: Base-Base interactions energy: -1852.514 where: short stacking energy: -727.733 Base-Backbone interact. energy: -3.811 local terms energy: -718.216788 where: bonds (distance) C4'-P energy: -120.793 bonds (distance) P-C4' energy: -118.705 flat angles C4'-P-C4' energy: -161.869 flat angles P-C4'-P energy: -90.772 tors. eta vs tors. theta energy: -226.078 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: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2484.261349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.261349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.261349 (E_RNA) where: Base-Base interactions energy: -1776.407 where: short stacking energy: -728.993 Base-Backbone interact. energy: 0.307 local terms energy: -708.161303 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -131.138 flat angles C4'-P-C4' energy: -148.752 flat angles P-C4'-P energy: -95.159 tors. eta vs tors. theta energy: -213.394 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: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2386.684935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.684935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.684935 (E_RNA) where: Base-Base interactions energy: -1701.946 where: short stacking energy: -707.318 Base-Backbone interact. energy: -0.614 local terms energy: -684.124397 where: bonds (distance) C4'-P energy: -112.179 bonds (distance) P-C4' energy: -118.142 flat angles C4'-P-C4' energy: -145.045 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -212.019 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: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2353.920956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.920956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.920956 (E_RNA) where: Base-Base interactions energy: -1695.103 where: short stacking energy: -667.731 Base-Backbone interact. energy: 0.326 local terms energy: -659.143990 where: bonds (distance) C4'-P energy: -115.418 bonds (distance) P-C4' energy: -114.789 flat angles C4'-P-C4' energy: -135.466 flat angles P-C4'-P energy: -82.266 tors. eta vs tors. theta energy: -211.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2233.114713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.114713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.114713 (E_RNA) where: Base-Base interactions energy: -1569.661 where: short stacking energy: -657.423 Base-Backbone interact. energy: -1.680 local terms energy: -661.773526 where: bonds (distance) C4'-P energy: -101.751 bonds (distance) P-C4' energy: -118.392 flat angles C4'-P-C4' energy: -139.226 flat angles P-C4'-P energy: -95.030 tors. eta vs tors. theta energy: -207.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1820.021187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.021187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.021187 (E_RNA) where: Base-Base interactions energy: -1268.354 where: short stacking energy: -509.987 Base-Backbone interact. energy: 3.517 local terms energy: -555.184410 where: bonds (distance) C4'-P energy: -105.395 bonds (distance) P-C4' energy: -112.324 flat angles C4'-P-C4' energy: -125.817 flat angles P-C4'-P energy: -75.729 tors. eta vs tors. theta energy: -135.920 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: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1615.413235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.413235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.413235 (E_RNA) where: Base-Base interactions energy: -1129.312 where: short stacking energy: -456.431 Base-Backbone interact. energy: 0.362 local terms energy: -486.462756 where: bonds (distance) C4'-P energy: -99.557 bonds (distance) P-C4' energy: -112.248 flat angles C4'-P-C4' energy: -100.911 flat angles P-C4'-P energy: -71.489 tors. eta vs tors. theta energy: -102.258 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: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1159.564128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.564128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.564128 (E_RNA) where: Base-Base interactions energy: -724.456 where: short stacking energy: -313.415 Base-Backbone interact. energy: 0.465 local terms energy: -435.573465 where: bonds (distance) C4'-P energy: -96.861 bonds (distance) P-C4' energy: -114.623 flat angles C4'-P-C4' energy: -114.141 flat angles P-C4'-P energy: -63.563 tors. eta vs tors. theta energy: -46.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2697.000355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.000355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.000355 (E_RNA) where: Base-Base interactions energy: -1921.685 where: short stacking energy: -784.847 Base-Backbone interact. energy: -2.996 local terms energy: -772.319649 where: bonds (distance) C4'-P energy: -130.920 bonds (distance) P-C4' energy: -117.827 flat angles C4'-P-C4' energy: -164.835 flat angles P-C4'-P energy: -111.045 tors. eta vs tors. theta energy: -247.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2621.886510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.886510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.886510 (E_RNA) where: Base-Base interactions energy: -1876.548 where: short stacking energy: -761.063 Base-Backbone interact. energy: -3.480 local terms energy: -741.858123 where: bonds (distance) C4'-P energy: -124.045 bonds (distance) P-C4' energy: -120.882 flat angles C4'-P-C4' energy: -155.000 flat angles P-C4'-P energy: -109.089 tors. eta vs tors. theta energy: -232.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2550.486915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.486915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.486915 (E_RNA) where: Base-Base interactions energy: -1818.375 where: short stacking energy: -710.573 Base-Backbone interact. energy: -0.391 local terms energy: -731.720956 where: bonds (distance) C4'-P energy: -127.865 bonds (distance) P-C4' energy: -127.079 flat angles C4'-P-C4' energy: -153.331 flat angles P-C4'-P energy: -104.758 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: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2508.786178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.786178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.786178 (E_RNA) where: Base-Base interactions energy: -1800.414 where: short stacking energy: -711.736 Base-Backbone interact. energy: -0.353 local terms energy: -708.019134 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -113.524 flat angles C4'-P-C4' energy: -164.330 flat angles P-C4'-P energy: -96.823 tors. eta vs tors. theta energy: -206.893 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: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2401.777485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.777485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.777485 (E_RNA) where: Base-Base interactions energy: -1714.815 where: short stacking energy: -691.556 Base-Backbone interact. energy: -1.696 local terms energy: -685.266246 where: bonds (distance) C4'-P energy: -110.034 bonds (distance) P-C4' energy: -109.365 flat angles C4'-P-C4' energy: -154.013 flat angles P-C4'-P energy: -86.577 tors. eta vs tors. theta energy: -225.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2344.386745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.386745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.386745 (E_RNA) where: Base-Base interactions energy: -1641.228 where: short stacking energy: -675.378 Base-Backbone interact. energy: -2.827 local terms energy: -700.331300 where: bonds (distance) C4'-P energy: -116.914 bonds (distance) P-C4' energy: -115.929 flat angles C4'-P-C4' energy: -150.946 flat angles P-C4'-P energy: -92.872 tors. eta vs tors. theta energy: -223.671 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: 351 Temperature: 1.200000 Total energy: -2189.058968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.058968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.058968 (E_RNA) where: Base-Base interactions energy: -1546.948 where: short stacking energy: -637.748 Base-Backbone interact. energy: -1.716 local terms energy: -640.395581 where: bonds (distance) C4'-P energy: -114.893 bonds (distance) P-C4' energy: -98.548 flat angles C4'-P-C4' energy: -135.929 flat angles P-C4'-P energy: -97.050 tors. eta vs tors. theta energy: -193.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1865.814735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.814735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.814735 (E_RNA) where: Base-Base interactions energy: -1272.097 where: short stacking energy: -545.606 Base-Backbone interact. energy: -1.292 local terms energy: -592.425505 where: bonds (distance) C4'-P energy: -110.387 bonds (distance) P-C4' energy: -107.066 flat angles C4'-P-C4' energy: -135.081 flat angles P-C4'-P energy: -85.118 tors. eta vs tors. theta energy: -154.774 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: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1663.733032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.733032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.733032 (E_RNA) where: Base-Base interactions energy: -1126.117 where: short stacking energy: -466.947 Base-Backbone interact. energy: -1.854 local terms energy: -535.761340 where: bonds (distance) C4'-P energy: -102.017 bonds (distance) P-C4' energy: -119.212 flat angles C4'-P-C4' energy: -126.306 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -115.111 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: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1156.627480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.627480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.627480 (E_RNA) where: Base-Base interactions energy: -711.499 where: short stacking energy: -334.229 Base-Backbone interact. energy: 5.755 local terms energy: -450.884340 where: bonds (distance) C4'-P energy: -109.289 bonds (distance) P-C4' energy: -105.017 flat angles C4'-P-C4' energy: -104.944 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -61.267 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: 352 Temperature: 0.900000 Total energy: -2711.136511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.136511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.136511 (E_RNA) where: Base-Base interactions energy: -1913.818 where: short stacking energy: -769.431 Base-Backbone interact. energy: 0.208 local terms energy: -797.525969 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -141.936 flat angles C4'-P-C4' energy: -161.480 flat angles P-C4'-P energy: -119.393 tors. eta vs tors. theta energy: -246.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2621.758420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.758420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.758420 (E_RNA) where: Base-Base interactions energy: -1870.946 where: short stacking energy: -751.965 Base-Backbone interact. energy: -1.946 local terms energy: -748.865898 where: bonds (distance) C4'-P energy: -119.949 bonds (distance) P-C4' energy: -131.014 flat angles C4'-P-C4' energy: -157.177 flat angles P-C4'-P energy: -111.014 tors. eta vs tors. theta energy: -229.712 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: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2578.731541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.731541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.731541 (E_RNA) where: Base-Base interactions energy: -1869.397 where: short stacking energy: -716.044 Base-Backbone interact. energy: 0.903 local terms energy: -710.238249 where: bonds (distance) C4'-P energy: -121.296 bonds (distance) P-C4' energy: -132.382 flat angles C4'-P-C4' energy: -147.906 flat angles P-C4'-P energy: -96.410 tors. eta vs tors. theta energy: -212.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2508.788042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.788042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.788042 (E_RNA) where: Base-Base interactions energy: -1798.733 where: short stacking energy: -734.295 Base-Backbone interact. energy: 3.529 local terms energy: -713.583285 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -115.793 flat angles C4'-P-C4' energy: -153.371 flat angles P-C4'-P energy: -108.856 tors. eta vs tors. theta energy: -217.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2415.307463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.307463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.307463 (E_RNA) where: Base-Base interactions energy: -1675.515 where: short stacking energy: -713.657 Base-Backbone interact. energy: -0.540 local terms energy: -739.251991 where: bonds (distance) C4'-P energy: -125.420 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -149.988 flat angles P-C4'-P energy: -109.665 tors. eta vs tors. theta energy: -226.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2312.831384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.831384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.831384 (E_RNA) where: Base-Base interactions energy: -1630.676 where: short stacking energy: -678.518 Base-Backbone interact. energy: -0.476 local terms energy: -681.678830 where: bonds (distance) C4'-P energy: -116.853 bonds (distance) P-C4' energy: -112.794 flat angles C4'-P-C4' energy: -142.153 flat angles P-C4'-P energy: -93.704 tors. eta vs tors. theta energy: -216.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2169.551033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.551033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.551033 (E_RNA) where: Base-Base interactions energy: -1544.602 where: short stacking energy: -653.551 Base-Backbone interact. energy: 2.994 local terms energy: -627.943240 where: bonds (distance) C4'-P energy: -95.394 bonds (distance) P-C4' energy: -116.042 flat angles C4'-P-C4' energy: -137.352 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -193.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1873.788472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.788472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.788472 (E_RNA) where: Base-Base interactions energy: -1299.415 where: short stacking energy: -538.483 Base-Backbone interact. energy: -3.809 local terms energy: -570.564763 where: bonds (distance) C4'-P energy: -115.207 bonds (distance) P-C4' energy: -99.166 flat angles C4'-P-C4' energy: -113.486 flat angles P-C4'-P energy: -92.788 tors. eta vs tors. theta energy: -149.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1641.267405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.267405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.267405 (E_RNA) where: Base-Base interactions energy: -1104.543 where: short stacking energy: -454.128 Base-Backbone interact. energy: -2.916 local terms energy: -533.807854 where: bonds (distance) C4'-P energy: -107.056 bonds (distance) P-C4' energy: -99.381 flat angles C4'-P-C4' energy: -130.753 flat angles P-C4'-P energy: -87.082 tors. eta vs tors. theta energy: -109.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1105.140902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.140902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.140902 (E_RNA) where: Base-Base interactions energy: -651.507 where: short stacking energy: -290.878 Base-Backbone interact. energy: -0.548 local terms energy: -453.085881 where: bonds (distance) C4'-P energy: -108.625 bonds (distance) P-C4' energy: -125.095 flat angles C4'-P-C4' energy: -119.204 flat angles P-C4'-P energy: -46.560 tors. eta vs tors. theta energy: -53.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2699.425468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.425468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.425468 (E_RNA) where: Base-Base interactions energy: -1911.721 where: short stacking energy: -776.907 Base-Backbone interact. energy: -1.701 local terms energy: -786.003398 where: bonds (distance) C4'-P energy: -141.417 bonds (distance) P-C4' energy: -131.635 flat angles C4'-P-C4' energy: -160.525 flat angles P-C4'-P energy: -110.480 tors. eta vs tors. theta energy: -241.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2621.543987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.543987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.543987 (E_RNA) where: Base-Base interactions energy: -1885.545 where: short stacking energy: -769.257 Base-Backbone interact. energy: -2.017 local terms energy: -733.981783 where: bonds (distance) C4'-P energy: -130.919 bonds (distance) P-C4' energy: -119.908 flat angles C4'-P-C4' energy: -155.831 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -233.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2571.020991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.020991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.020991 (E_RNA) where: Base-Base interactions energy: -1845.017 where: short stacking energy: -734.655 Base-Backbone interact. energy: -3.316 local terms energy: -722.688088 where: bonds (distance) C4'-P energy: -134.906 bonds (distance) P-C4' energy: -111.785 flat angles C4'-P-C4' energy: -154.345 flat angles P-C4'-P energy: -110.174 tors. eta vs tors. theta energy: -211.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2496.862367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.862367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.862367 (E_RNA) where: Base-Base interactions energy: -1803.271 where: short stacking energy: -726.160 Base-Backbone interact. energy: -1.849 local terms energy: -691.741430 where: bonds (distance) C4'-P energy: -113.305 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -145.562 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -219.117 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: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2400.424946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.424946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.424946 (E_RNA) where: Base-Base interactions energy: -1672.105 where: short stacking energy: -685.071 Base-Backbone interact. energy: -0.994 local terms energy: -727.325549 where: bonds (distance) C4'-P energy: -129.518 bonds (distance) P-C4' energy: -120.980 flat angles C4'-P-C4' energy: -159.817 flat angles P-C4'-P energy: -101.636 tors. eta vs tors. theta energy: -215.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2346.417435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.417435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.417435 (E_RNA) where: Base-Base interactions energy: -1693.509 where: short stacking energy: -691.152 Base-Backbone interact. energy: 0.718 local terms energy: -653.625964 where: bonds (distance) C4'-P energy: -112.488 bonds (distance) P-C4' energy: -106.959 flat angles C4'-P-C4' energy: -145.014 flat angles P-C4'-P energy: -77.361 tors. eta vs tors. theta energy: -211.803 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: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2196.908728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.908728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.908728 (E_RNA) where: Base-Base interactions energy: -1576.976 where: short stacking energy: -651.814 Base-Backbone interact. energy: -1.067 local terms energy: -618.866000 where: bonds (distance) C4'-P energy: -120.343 bonds (distance) P-C4' energy: -94.847 flat angles C4'-P-C4' energy: -128.851 flat angles P-C4'-P energy: -81.469 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1910.582002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.582002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.582002 (E_RNA) where: Base-Base interactions energy: -1313.918 where: short stacking energy: -536.064 Base-Backbone interact. energy: -1.464 local terms energy: -595.200328 where: bonds (distance) C4'-P energy: -128.986 bonds (distance) P-C4' energy: -116.639 flat angles C4'-P-C4' energy: -141.539 flat angles P-C4'-P energy: -74.273 tors. eta vs tors. theta energy: -133.763 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: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1605.886976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.886976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.886976 (E_RNA) where: Base-Base interactions energy: -1109.140 where: short stacking energy: -450.014 Base-Backbone interact. energy: 4.885 local terms energy: -501.631984 where: bonds (distance) C4'-P energy: -99.290 bonds (distance) P-C4' energy: -109.349 flat angles C4'-P-C4' energy: -117.153 flat angles P-C4'-P energy: -80.557 tors. eta vs tors. theta energy: -95.284 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: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1259.744721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.744721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.744721 (E_RNA) where: Base-Base interactions energy: -801.573 where: short stacking energy: -374.062 Base-Backbone interact. energy: -0.329 local terms energy: -457.842729 where: bonds (distance) C4'-P energy: -110.929 bonds (distance) P-C4' energy: -106.681 flat angles C4'-P-C4' energy: -89.507 flat angles P-C4'-P energy: -76.650 tors. eta vs tors. theta energy: -74.076 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: 354 Temperature: 0.900000 Total energy: -2719.547561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.547561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.547561 (E_RNA) where: Base-Base interactions energy: -1935.156 where: short stacking energy: -800.262 Base-Backbone interact. energy: 2.655 local terms energy: -787.047041 where: bonds (distance) C4'-P energy: -136.954 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -163.749 flat angles P-C4'-P energy: -108.854 tors. eta vs tors. theta energy: -244.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2609.747551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.747551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.747551 (E_RNA) where: Base-Base interactions energy: -1865.118 where: short stacking energy: -767.294 Base-Backbone interact. energy: -0.951 local terms energy: -743.678441 where: bonds (distance) C4'-P energy: -134.382 bonds (distance) P-C4' energy: -127.846 flat angles C4'-P-C4' energy: -156.313 flat angles P-C4'-P energy: -89.693 tors. eta vs tors. theta energy: -235.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2553.548779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.548779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.548779 (E_RNA) where: Base-Base interactions energy: -1852.611 where: short stacking energy: -735.292 Base-Backbone interact. energy: -0.673 local terms energy: -700.264608 where: bonds (distance) C4'-P energy: -109.917 bonds (distance) P-C4' energy: -130.443 flat angles C4'-P-C4' energy: -148.592 flat angles P-C4'-P energy: -100.670 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: 4, replica: 1 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2496.186938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.186938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.186938 (E_RNA) where: Base-Base interactions energy: -1781.900 where: short stacking energy: -719.495 Base-Backbone interact. energy: -1.790 local terms energy: -712.496328 where: bonds (distance) C4'-P energy: -124.208 bonds (distance) P-C4' energy: -127.525 flat angles C4'-P-C4' energy: -163.661 flat angles P-C4'-P energy: -92.672 tors. eta vs tors. theta energy: -204.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2393.408327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.408327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.408327 (E_RNA) where: Base-Base interactions energy: -1692.854 where: short stacking energy: -726.023 Base-Backbone interact. energy: 3.119 local terms energy: -703.672599 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -124.218 flat angles C4'-P-C4' energy: -132.623 flat angles P-C4'-P energy: -97.626 tors. eta vs tors. theta energy: -227.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2330.474333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.474333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.474333 (E_RNA) where: Base-Base interactions energy: -1665.592 where: short stacking energy: -689.850 Base-Backbone interact. energy: -2.282 local terms energy: -662.600368 where: bonds (distance) C4'-P energy: -112.990 bonds (distance) P-C4' energy: -116.011 flat angles C4'-P-C4' energy: -132.009 flat angles P-C4'-P energy: -84.870 tors. eta vs tors. theta energy: -216.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2202.128257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.128257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.128257 (E_RNA) where: Base-Base interactions energy: -1574.521 where: short stacking energy: -622.256 Base-Backbone interact. energy: 0.425 local terms energy: -628.032597 where: bonds (distance) C4'-P energy: -109.955 bonds (distance) P-C4' energy: -103.574 flat angles C4'-P-C4' energy: -143.476 flat angles P-C4'-P energy: -79.901 tors. eta vs tors. theta energy: -191.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1905.700928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.700928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.700928 (E_RNA) where: Base-Base interactions energy: -1342.190 where: short stacking energy: -546.575 Base-Backbone interact. energy: -1.808 local terms energy: -561.702204 where: bonds (distance) C4'-P energy: -99.151 bonds (distance) P-C4' energy: -105.303 flat angles C4'-P-C4' energy: -126.133 flat angles P-C4'-P energy: -81.427 tors. eta vs tors. theta energy: -149.688 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: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1635.203420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.203420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.203420 (E_RNA) where: Base-Base interactions energy: -1106.354 where: short stacking energy: -454.984 Base-Backbone interact. energy: -1.134 local terms energy: -527.715364 where: bonds (distance) C4'-P energy: -106.755 bonds (distance) P-C4' energy: -106.928 flat angles C4'-P-C4' energy: -105.457 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -115.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1218.239506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.239506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.239506 (E_RNA) where: Base-Base interactions energy: -789.108 where: short stacking energy: -345.257 Base-Backbone interact. energy: 1.973 local terms energy: -431.105268 where: bonds (distance) C4'-P energy: -94.075 bonds (distance) P-C4' energy: -99.091 flat angles C4'-P-C4' energy: -114.143 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -54.107 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: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2690.707466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.707466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.707466 (E_RNA) where: Base-Base interactions energy: -1920.622 where: short stacking energy: -783.077 Base-Backbone interact. energy: -2.045 local terms energy: -768.040351 where: bonds (distance) C4'-P energy: -125.430 bonds (distance) P-C4' energy: -136.524 flat angles C4'-P-C4' energy: -162.756 flat angles P-C4'-P energy: -101.223 tors. eta vs tors. theta energy: -242.108 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: 355 Temperature: 0.950000 Total energy: -2640.306196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.306196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.306196 (E_RNA) where: Base-Base interactions energy: -1889.821 where: short stacking energy: -752.762 Base-Backbone interact. energy: 0.556 local terms energy: -751.040773 where: bonds (distance) C4'-P energy: -136.479 bonds (distance) P-C4' energy: -132.351 flat angles C4'-P-C4' energy: -144.646 flat angles P-C4'-P energy: -110.463 tors. eta vs tors. theta energy: -227.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2550.398593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.398593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.398593 (E_RNA) where: Base-Base interactions energy: -1807.832 where: short stacking energy: -740.654 Base-Backbone interact. energy: -0.571 local terms energy: -741.996395 where: bonds (distance) C4'-P energy: -127.949 bonds (distance) P-C4' energy: -114.585 flat angles C4'-P-C4' energy: -160.131 flat angles P-C4'-P energy: -103.064 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: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2501.645248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.645248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.645248 (E_RNA) where: Base-Base interactions energy: -1792.118 where: short stacking energy: -717.893 Base-Backbone interact. energy: -2.286 local terms energy: -707.240418 where: bonds (distance) C4'-P energy: -121.281 bonds (distance) P-C4' energy: -114.190 flat angles C4'-P-C4' energy: -150.165 flat angles P-C4'-P energy: -106.469 tors. eta vs tors. theta energy: -215.136 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: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2398.892924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.892924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.892924 (E_RNA) where: Base-Base interactions energy: -1656.262 where: short stacking energy: -682.649 Base-Backbone interact. energy: -0.193 local terms energy: -742.438133 where: bonds (distance) C4'-P energy: -122.691 bonds (distance) P-C4' energy: -145.403 flat angles C4'-P-C4' energy: -144.977 flat angles P-C4'-P energy: -114.039 tors. eta vs tors. theta energy: -215.328 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: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2326.527773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.527773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.527773 (E_RNA) where: Base-Base interactions energy: -1646.523 where: short stacking energy: -673.621 Base-Backbone interact. energy: -0.764 local terms energy: -679.240685 where: bonds (distance) C4'-P energy: -106.809 bonds (distance) P-C4' energy: -126.994 flat angles C4'-P-C4' energy: -143.503 flat angles P-C4'-P energy: -86.598 tors. eta vs tors. theta energy: -215.336 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: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2171.715528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.715528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.715528 (E_RNA) where: Base-Base interactions energy: -1510.464 where: short stacking energy: -621.404 Base-Backbone interact. energy: -0.853 local terms energy: -660.398636 where: bonds (distance) C4'-P energy: -130.104 bonds (distance) P-C4' energy: -116.439 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -88.407 tors. eta vs tors. theta energy: -193.289 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: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1909.956939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.956939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.956939 (E_RNA) where: Base-Base interactions energy: -1337.080 where: short stacking energy: -529.112 Base-Backbone interact. energy: 1.014 local terms energy: -573.890666 where: bonds (distance) C4'-P energy: -109.779 bonds (distance) P-C4' energy: -101.463 flat angles C4'-P-C4' energy: -127.261 flat angles P-C4'-P energy: -76.136 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: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1627.629572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.629572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.629572 (E_RNA) where: Base-Base interactions energy: -1100.901 where: short stacking energy: -454.993 Base-Backbone interact. energy: -1.731 local terms energy: -524.997647 where: bonds (distance) C4'-P energy: -99.019 bonds (distance) P-C4' energy: -126.476 flat angles C4'-P-C4' energy: -106.291 flat angles P-C4'-P energy: -83.659 tors. eta vs tors. theta energy: -109.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1160.830387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.830387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.830387 (E_RNA) where: Base-Base interactions energy: -746.737 where: short stacking energy: -333.277 Base-Backbone interact. energy: -0.499 local terms energy: -413.594390 where: bonds (distance) C4'-P energy: -111.660 bonds (distance) P-C4' energy: -109.140 flat angles C4'-P-C4' energy: -97.488 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -42.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2722.632821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.632821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.632821 (E_RNA) where: Base-Base interactions energy: -1922.713 where: short stacking energy: -793.057 Base-Backbone interact. energy: -0.666 local terms energy: -799.253993 where: bonds (distance) C4'-P energy: -134.359 bonds (distance) P-C4' energy: -147.747 flat angles C4'-P-C4' energy: -162.502 flat angles P-C4'-P energy: -108.992 tors. eta vs tors. theta energy: -245.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2638.905088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.905088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.905088 (E_RNA) where: Base-Base interactions energy: -1897.169 where: short stacking energy: -750.400 Base-Backbone interact. energy: 0.977 local terms energy: -742.712559 where: bonds (distance) C4'-P energy: -117.480 bonds (distance) P-C4' energy: -135.078 flat angles C4'-P-C4' energy: -156.767 flat angles P-C4'-P energy: -106.147 tors. eta vs tors. theta energy: -227.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2541.171928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.171928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.171928 (E_RNA) where: Base-Base interactions energy: -1838.834 where: short stacking energy: -741.847 Base-Backbone interact. energy: -1.302 local terms energy: -701.036063 where: bonds (distance) C4'-P energy: -109.382 bonds (distance) P-C4' energy: -120.752 flat angles C4'-P-C4' energy: -152.057 flat angles P-C4'-P energy: -99.280 tors. eta vs tors. theta energy: -219.566 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: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2479.339630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.339630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.339630 (E_RNA) where: Base-Base interactions energy: -1748.422 where: short stacking energy: -728.597 Base-Backbone interact. energy: -1.002 local terms energy: -729.915085 where: bonds (distance) C4'-P energy: -114.795 bonds (distance) P-C4' energy: -132.726 flat angles C4'-P-C4' energy: -155.112 flat angles P-C4'-P energy: -97.092 tors. eta vs tors. theta energy: -230.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2349.325193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.325193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.325193 (E_RNA) where: Base-Base interactions energy: -1657.606 where: short stacking energy: -701.329 Base-Backbone interact. energy: -0.972 local terms energy: -690.747882 where: bonds (distance) C4'-P energy: -113.572 bonds (distance) P-C4' energy: -108.168 flat angles C4'-P-C4' energy: -149.036 flat angles P-C4'-P energy: -99.052 tors. eta vs tors. theta energy: -220.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2315.021957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.021957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.021957 (E_RNA) where: Base-Base interactions energy: -1637.414 where: short stacking energy: -668.989 Base-Backbone interact. energy: -2.112 local terms energy: -675.496073 where: bonds (distance) C4'-P energy: -101.831 bonds (distance) P-C4' energy: -122.916 flat angles C4'-P-C4' energy: -146.262 flat angles P-C4'-P energy: -99.607 tors. eta vs tors. theta energy: -204.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2203.066874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.066874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.066874 (E_RNA) where: Base-Base interactions energy: -1558.400 where: short stacking energy: -618.879 Base-Backbone interact. energy: 0.214 local terms energy: -644.880892 where: bonds (distance) C4'-P energy: -107.380 bonds (distance) P-C4' energy: -116.871 flat angles C4'-P-C4' energy: -133.819 flat angles P-C4'-P energy: -82.769 tors. eta vs tors. theta energy: -204.041 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: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1820.984857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.984857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.984857 (E_RNA) where: Base-Base interactions energy: -1247.249 where: short stacking energy: -538.138 Base-Backbone interact. energy: 0.643 local terms energy: -574.378540 where: bonds (distance) C4'-P energy: -116.550 bonds (distance) P-C4' energy: -119.439 flat angles C4'-P-C4' energy: -128.228 flat angles P-C4'-P energy: -56.024 tors. eta vs tors. theta energy: -154.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1551.283397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.283397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.283397 (E_RNA) where: Base-Base interactions energy: -1053.920 where: short stacking energy: -435.379 Base-Backbone interact. energy: 2.266 local terms energy: -499.629067 where: bonds (distance) C4'-P energy: -109.305 bonds (distance) P-C4' energy: -103.696 flat angles C4'-P-C4' energy: -128.024 flat angles P-C4'-P energy: -62.983 tors. eta vs tors. theta energy: -95.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1208.113098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.113098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.113098 (E_RNA) where: Base-Base interactions energy: -772.825 where: short stacking energy: -361.424 Base-Backbone interact. energy: -1.530 local terms energy: -433.758499 where: bonds (distance) C4'-P energy: -92.939 bonds (distance) P-C4' energy: -111.770 flat angles C4'-P-C4' energy: -109.493 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -46.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2716.510354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.510354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.510354 (E_RNA) where: Base-Base interactions energy: -1914.052 where: short stacking energy: -800.767 Base-Backbone interact. energy: -1.382 local terms energy: -801.076259 where: bonds (distance) C4'-P energy: -127.162 bonds (distance) P-C4' energy: -140.643 flat angles C4'-P-C4' energy: -164.325 flat angles P-C4'-P energy: -120.147 tors. eta vs tors. theta energy: -248.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2640.262291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.262291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.262291 (E_RNA) where: Base-Base interactions energy: -1874.092 where: short stacking energy: -735.521 Base-Backbone interact. energy: -2.087 local terms energy: -764.083704 where: bonds (distance) C4'-P energy: -143.599 bonds (distance) P-C4' energy: -134.801 flat angles C4'-P-C4' energy: -158.311 flat angles P-C4'-P energy: -107.265 tors. eta vs tors. theta energy: -220.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2528.363903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.363903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.363903 (E_RNA) where: Base-Base interactions energy: -1827.657 where: short stacking energy: -729.018 Base-Backbone interact. energy: -0.132 local terms energy: -700.574949 where: bonds (distance) C4'-P energy: -118.520 bonds (distance) P-C4' energy: -114.634 flat angles C4'-P-C4' energy: -154.460 flat angles P-C4'-P energy: -100.427 tors. eta vs tors. theta energy: -212.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2521.237413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.237413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.237413 (E_RNA) where: Base-Base interactions energy: -1774.208 where: short stacking energy: -717.304 Base-Backbone interact. energy: -3.420 local terms energy: -743.609410 where: bonds (distance) C4'-P energy: -130.060 bonds (distance) P-C4' energy: -123.520 flat angles C4'-P-C4' energy: -157.644 flat angles P-C4'-P energy: -99.672 tors. eta vs tors. theta energy: -232.715 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: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2381.450481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.450481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.450481 (E_RNA) where: Base-Base interactions energy: -1666.588 where: short stacking energy: -683.501 Base-Backbone interact. energy: 3.749 local terms energy: -718.611886 where: bonds (distance) C4'-P energy: -123.858 bonds (distance) P-C4' energy: -123.118 flat angles C4'-P-C4' energy: -148.787 flat angles P-C4'-P energy: -102.835 tors. eta vs tors. theta energy: -220.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2294.065402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.065402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.065402 (E_RNA) where: Base-Base interactions energy: -1622.226 where: short stacking energy: -663.245 Base-Backbone interact. energy: -2.856 local terms energy: -668.983666 where: bonds (distance) C4'-P energy: -99.135 bonds (distance) P-C4' energy: -128.316 flat angles C4'-P-C4' energy: -136.472 flat angles P-C4'-P energy: -94.301 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: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2150.444032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.444032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.444032 (E_RNA) where: Base-Base interactions energy: -1499.097 where: short stacking energy: -640.255 Base-Backbone interact. energy: 0.388 local terms energy: -651.734863 where: bonds (distance) C4'-P energy: -124.793 bonds (distance) P-C4' energy: -114.573 flat angles C4'-P-C4' energy: -132.878 flat angles P-C4'-P energy: -84.696 tors. eta vs tors. theta energy: -194.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1858.656272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.656272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.656272 (E_RNA) where: Base-Base interactions energy: -1268.349 where: short stacking energy: -544.534 Base-Backbone interact. energy: -2.530 local terms energy: -587.777423 where: bonds (distance) C4'-P energy: -101.295 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -125.403 flat angles P-C4'-P energy: -86.665 tors. eta vs tors. theta energy: -153.480 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: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1653.116239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.116239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.116239 (E_RNA) where: Base-Base interactions energy: -1160.152 where: short stacking energy: -459.818 Base-Backbone interact. energy: 0.478 local terms energy: -493.442470 where: bonds (distance) C4'-P energy: -104.061 bonds (distance) P-C4' energy: -103.578 flat angles C4'-P-C4' energy: -109.008 flat angles P-C4'-P energy: -78.361 tors. eta vs tors. theta energy: -98.435 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: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1252.072322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.072322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.072322 (E_RNA) where: Base-Base interactions energy: -783.048 where: short stacking energy: -353.416 Base-Backbone interact. energy: -0.419 local terms energy: -468.605457 where: bonds (distance) C4'-P energy: -118.290 bonds (distance) P-C4' energy: -104.146 flat angles C4'-P-C4' energy: -98.273 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -78.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2715.777912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.777912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.777912 (E_RNA) where: Base-Base interactions energy: -1930.336 where: short stacking energy: -810.266 Base-Backbone interact. energy: -2.462 local terms energy: -782.980189 where: bonds (distance) C4'-P energy: -128.714 bonds (distance) P-C4' energy: -136.319 flat angles C4'-P-C4' energy: -155.501 flat angles P-C4'-P energy: -108.563 tors. eta vs tors. theta energy: -253.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2605.723821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.723821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.723821 (E_RNA) where: Base-Base interactions energy: -1869.622 where: short stacking energy: -735.279 Base-Backbone interact. energy: -2.866 local terms energy: -733.236099 where: bonds (distance) C4'-P energy: -126.620 bonds (distance) P-C4' energy: -125.663 flat angles C4'-P-C4' energy: -156.391 flat angles P-C4'-P energy: -99.752 tors. eta vs tors. theta energy: -224.810 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: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2558.418629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.418629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.418629 (E_RNA) where: Base-Base interactions energy: -1848.006 where: short stacking energy: -746.832 Base-Backbone interact. energy: 3.032 local terms energy: -713.444857 where: bonds (distance) C4'-P energy: -118.145 bonds (distance) P-C4' energy: -105.704 flat angles C4'-P-C4' energy: -161.596 flat angles P-C4'-P energy: -112.073 tors. eta vs tors. theta energy: -215.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2521.589375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.589375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.589375 (E_RNA) where: Base-Base interactions energy: -1781.399 where: short stacking energy: -738.147 Base-Backbone interact. energy: -1.326 local terms energy: -738.863960 where: bonds (distance) C4'-P energy: -118.551 bonds (distance) P-C4' energy: -136.248 flat angles C4'-P-C4' energy: -151.115 flat angles P-C4'-P energy: -100.873 tors. eta vs tors. theta energy: -232.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2348.906265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.906265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.906265 (E_RNA) where: Base-Base interactions energy: -1668.732 where: short stacking energy: -711.882 Base-Backbone interact. energy: -2.065 local terms energy: -678.108507 where: bonds (distance) C4'-P energy: -100.517 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -138.573 flat angles P-C4'-P energy: -104.813 tors. eta vs tors. theta energy: -220.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2342.650614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.650614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.650614 (E_RNA) where: Base-Base interactions energy: -1650.044 where: short stacking energy: -699.947 Base-Backbone interact. energy: -2.077 local terms energy: -690.529910 where: bonds (distance) C4'-P energy: -117.855 bonds (distance) P-C4' energy: -109.742 flat angles C4'-P-C4' energy: -148.182 flat angles P-C4'-P energy: -101.385 tors. eta vs tors. theta energy: -213.366 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: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2165.866071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.866071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.866071 (E_RNA) where: Base-Base interactions energy: -1536.506 where: short stacking energy: -638.316 Base-Backbone interact. energy: -3.227 local terms energy: -626.133114 where: bonds (distance) C4'-P energy: -115.328 bonds (distance) P-C4' energy: -113.366 flat angles C4'-P-C4' energy: -130.692 flat angles P-C4'-P energy: -81.731 tors. eta vs tors. theta energy: -185.017 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: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1813.061843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.061843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.061843 (E_RNA) where: Base-Base interactions energy: -1279.743 where: short stacking energy: -534.652 Base-Backbone interact. energy: 2.333 local terms energy: -535.651486 where: bonds (distance) C4'-P energy: -103.150 bonds (distance) P-C4' energy: -93.683 flat angles C4'-P-C4' energy: -121.274 flat angles P-C4'-P energy: -77.153 tors. eta vs tors. theta energy: -140.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1735.311767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.311767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.311767 (E_RNA) where: Base-Base interactions energy: -1227.822 where: short stacking energy: -504.222 Base-Backbone interact. energy: -0.619 local terms energy: -506.870914 where: bonds (distance) C4'-P energy: -105.999 bonds (distance) P-C4' energy: -104.416 flat angles C4'-P-C4' energy: -92.358 flat angles P-C4'-P energy: -74.885 tors. eta vs tors. theta energy: -129.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1181.624584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.624584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.624584 (E_RNA) where: Base-Base interactions energy: -754.889 where: short stacking energy: -347.624 Base-Backbone interact. energy: -2.529 local terms energy: -424.206713 where: bonds (distance) C4'-P energy: -104.172 bonds (distance) P-C4' energy: -100.105 flat angles C4'-P-C4' energy: -99.254 flat angles P-C4'-P energy: -64.322 tors. eta vs tors. theta energy: -56.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2728.819827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.819827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.819827 (E_RNA) where: Base-Base interactions energy: -1925.337 where: short stacking energy: -796.291 Base-Backbone interact. energy: -0.752 local terms energy: -802.730634 where: bonds (distance) C4'-P energy: -142.261 bonds (distance) P-C4' energy: -139.419 flat angles C4'-P-C4' energy: -162.085 flat angles P-C4'-P energy: -110.961 tors. eta vs tors. theta energy: -248.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2586.765187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.765187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.765187 (E_RNA) where: Base-Base interactions energy: -1837.188 where: short stacking energy: -740.162 Base-Backbone interact. energy: 0.174 local terms energy: -749.751742 where: bonds (distance) C4'-P energy: -120.148 bonds (distance) P-C4' energy: -141.204 flat angles C4'-P-C4' energy: -159.842 flat angles P-C4'-P energy: -103.719 tors. eta vs tors. theta energy: -224.838 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: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2550.637540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.637540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.637540 (E_RNA) where: Base-Base interactions energy: -1834.090 where: short stacking energy: -743.181 Base-Backbone interact. energy: 1.031 local terms energy: -717.578410 where: bonds (distance) C4'-P energy: -127.397 bonds (distance) P-C4' energy: -124.509 flat angles C4'-P-C4' energy: -150.611 flat angles P-C4'-P energy: -91.672 tors. eta vs tors. theta energy: -223.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2557.959300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.959300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.959300 (E_RNA) where: Base-Base interactions energy: -1813.003 where: short stacking energy: -724.843 Base-Backbone interact. energy: -0.756 local terms energy: -744.200615 where: bonds (distance) C4'-P energy: -132.222 bonds (distance) P-C4' energy: -127.459 flat angles C4'-P-C4' energy: -164.195 flat angles P-C4'-P energy: -96.926 tors. eta vs tors. theta energy: -223.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2347.523374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.523374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.523374 (E_RNA) where: Base-Base interactions energy: -1641.186 where: short stacking energy: -682.146 Base-Backbone interact. energy: 1.646 local terms energy: -707.983749 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -134.619 flat angles C4'-P-C4' energy: -141.543 flat angles P-C4'-P energy: -95.918 tors. eta vs tors. theta energy: -209.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2293.988591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.988591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.988591 (E_RNA) where: Base-Base interactions energy: -1629.844 where: short stacking energy: -672.698 Base-Backbone interact. energy: -0.642 local terms energy: -663.502176 where: bonds (distance) C4'-P energy: -109.527 bonds (distance) P-C4' energy: -110.665 flat angles C4'-P-C4' energy: -150.549 flat angles P-C4'-P energy: -95.306 tors. eta vs tors. theta energy: -197.454 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: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2114.649365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.649365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.649365 (E_RNA) where: Base-Base interactions energy: -1497.343 where: short stacking energy: -629.251 Base-Backbone interact. energy: -1.045 local terms energy: -616.261716 where: bonds (distance) C4'-P energy: -106.916 bonds (distance) P-C4' energy: -116.631 flat angles C4'-P-C4' energy: -126.436 flat angles P-C4'-P energy: -77.463 tors. eta vs tors. theta energy: -188.816 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: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1865.484322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.484322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.484322 (E_RNA) where: Base-Base interactions energy: -1286.298 where: short stacking energy: -523.363 Base-Backbone interact. energy: 0.812 local terms energy: -579.998267 where: bonds (distance) C4'-P energy: -118.131 bonds (distance) P-C4' energy: -112.600 flat angles C4'-P-C4' energy: -124.189 flat angles P-C4'-P energy: -80.538 tors. eta vs tors. theta energy: -144.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1694.349692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.349692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.349692 (E_RNA) where: Base-Base interactions energy: -1204.142 where: short stacking energy: -489.898 Base-Backbone interact. energy: 0.769 local terms energy: -490.976900 where: bonds (distance) C4'-P energy: -110.807 bonds (distance) P-C4' energy: -102.087 flat angles C4'-P-C4' energy: -106.476 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -108.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1205.736781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.736781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.736781 (E_RNA) where: Base-Base interactions energy: -760.435 where: short stacking energy: -343.204 Base-Backbone interact. energy: -0.057 local terms energy: -445.244362 where: bonds (distance) C4'-P energy: -118.062 bonds (distance) P-C4' energy: -118.874 flat angles C4'-P-C4' energy: -104.468 flat angles P-C4'-P energy: -43.381 tors. eta vs tors. theta energy: -60.458 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: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2706.762496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.762496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.762496 (E_RNA) where: Base-Base interactions energy: -1926.968 where: short stacking energy: -784.977 Base-Backbone interact. energy: -1.174 local terms energy: -778.620630 where: bonds (distance) C4'-P energy: -124.416 bonds (distance) P-C4' energy: -136.131 flat angles C4'-P-C4' energy: -165.732 flat angles P-C4'-P energy: -113.618 tors. eta vs tors. theta energy: -238.724 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: 360 Temperature: 0.950000 Total energy: -2582.283355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.283355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.283355 (E_RNA) where: Base-Base interactions energy: -1847.034 where: short stacking energy: -747.732 Base-Backbone interact. energy: -2.194 local terms energy: -733.055245 where: bonds (distance) C4'-P energy: -133.680 bonds (distance) P-C4' energy: -117.643 flat angles C4'-P-C4' energy: -153.603 flat angles P-C4'-P energy: -112.411 tors. eta vs tors. theta energy: -215.718 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: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2578.932686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.932686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.932686 (E_RNA) where: Base-Base interactions energy: -1823.811 where: short stacking energy: -727.446 Base-Backbone interact. energy: 5.535 local terms energy: -760.656737 where: bonds (distance) C4'-P energy: -134.119 bonds (distance) P-C4' energy: -138.431 flat angles C4'-P-C4' energy: -155.080 flat angles P-C4'-P energy: -101.181 tors. eta vs tors. theta energy: -231.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2506.620779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.620779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.620779 (E_RNA) where: Base-Base interactions energy: -1790.015 where: short stacking energy: -724.066 Base-Backbone interact. energy: -2.697 local terms energy: -713.909487 where: bonds (distance) C4'-P energy: -128.414 bonds (distance) P-C4' energy: -121.456 flat angles C4'-P-C4' energy: -148.066 flat angles P-C4'-P energy: -98.668 tors. eta vs tors. theta energy: -217.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2378.009045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.009045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.009045 (E_RNA) where: Base-Base interactions energy: -1692.097 where: short stacking energy: -707.886 Base-Backbone interact. energy: -2.486 local terms energy: -683.425890 where: bonds (distance) C4'-P energy: -107.003 bonds (distance) P-C4' energy: -114.147 flat angles C4'-P-C4' energy: -144.598 flat angles P-C4'-P energy: -102.221 tors. eta vs tors. theta energy: -215.456 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: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2282.716735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.716735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.716735 (E_RNA) where: Base-Base interactions energy: -1611.858 where: short stacking energy: -665.503 Base-Backbone interact. energy: 0.401 local terms energy: -671.259466 where: bonds (distance) C4'-P energy: -114.867 bonds (distance) P-C4' energy: -129.632 flat angles C4'-P-C4' energy: -131.169 flat angles P-C4'-P energy: -85.207 tors. eta vs tors. theta energy: -210.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2120.154962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.154962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.154962 (E_RNA) where: Base-Base interactions energy: -1514.384 where: short stacking energy: -633.211 Base-Backbone interact. energy: 5.718 local terms energy: -611.489500 where: bonds (distance) C4'-P energy: -93.224 bonds (distance) P-C4' energy: -122.513 flat angles C4'-P-C4' energy: -134.904 flat angles P-C4'-P energy: -71.267 tors. eta vs tors. theta energy: -189.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1854.130169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.130169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.130169 (E_RNA) where: Base-Base interactions energy: -1306.228 where: short stacking energy: -531.368 Base-Backbone interact. energy: 6.291 local terms energy: -554.193171 where: bonds (distance) C4'-P energy: -102.441 bonds (distance) P-C4' energy: -108.528 flat angles C4'-P-C4' energy: -124.733 flat angles P-C4'-P energy: -82.965 tors. eta vs tors. theta energy: -135.526 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: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1711.855067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.855067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.855067 (E_RNA) where: Base-Base interactions energy: -1191.155 where: short stacking energy: -461.019 Base-Backbone interact. energy: 0.703 local terms energy: -521.403017 where: bonds (distance) C4'-P energy: -110.750 bonds (distance) P-C4' energy: -102.435 flat angles C4'-P-C4' energy: -115.506 flat angles P-C4'-P energy: -71.101 tors. eta vs tors. theta energy: -121.611 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1176.202555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.202555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.202555 (E_RNA) where: Base-Base interactions energy: -731.381 where: short stacking energy: -329.940 Base-Backbone interact. energy: 5.381 local terms energy: -450.202642 where: bonds (distance) C4'-P energy: -98.425 bonds (distance) P-C4' energy: -103.123 flat angles C4'-P-C4' energy: -127.908 flat angles P-C4'-P energy: -58.447 tors. eta vs tors. theta energy: -62.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2705.254562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.254562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.254562 (E_RNA) where: Base-Base interactions energy: -1915.992 where: short stacking energy: -777.760 Base-Backbone interact. energy: -1.442 local terms energy: -787.820828 where: bonds (distance) C4'-P energy: -140.645 bonds (distance) P-C4' energy: -141.862 flat angles C4'-P-C4' energy: -158.270 flat angles P-C4'-P energy: -105.459 tors. eta vs tors. theta energy: -241.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2589.674686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.674686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.674686 (E_RNA) where: Base-Base interactions energy: -1850.990 where: short stacking energy: -757.267 Base-Backbone interact. energy: -0.916 local terms energy: -737.768857 where: bonds (distance) C4'-P energy: -129.413 bonds (distance) P-C4' energy: -125.747 flat angles C4'-P-C4' energy: -156.650 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -223.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2560.750512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.750512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.750512 (E_RNA) where: Base-Base interactions energy: -1827.077 where: short stacking energy: -737.665 Base-Backbone interact. energy: -0.365 local terms energy: -733.309262 where: bonds (distance) C4'-P energy: -112.808 bonds (distance) P-C4' energy: -139.031 flat angles C4'-P-C4' energy: -154.892 flat angles P-C4'-P energy: -97.264 tors. eta vs tors. theta energy: -229.314 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: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2500.769802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.769802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.769802 (E_RNA) where: Base-Base interactions energy: -1787.535 where: short stacking energy: -712.034 Base-Backbone interact. energy: 2.670 local terms energy: -715.904864 where: bonds (distance) C4'-P energy: -123.900 bonds (distance) P-C4' energy: -113.457 flat angles C4'-P-C4' energy: -155.489 flat angles P-C4'-P energy: -104.965 tors. eta vs tors. theta energy: -218.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2371.340715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.340715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.340715 (E_RNA) where: Base-Base interactions energy: -1685.303 where: short stacking energy: -694.426 Base-Backbone interact. energy: 0.311 local terms energy: -686.349480 where: bonds (distance) C4'-P energy: -116.281 bonds (distance) P-C4' energy: -109.179 flat angles C4'-P-C4' energy: -150.233 flat angles P-C4'-P energy: -95.008 tors. eta vs tors. theta energy: -215.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2288.923656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.923656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.923656 (E_RNA) where: Base-Base interactions energy: -1653.427 where: short stacking energy: -695.386 Base-Backbone interact. energy: 2.669 local terms energy: -638.165325 where: bonds (distance) C4'-P energy: -105.415 bonds (distance) P-C4' energy: -111.025 flat angles C4'-P-C4' energy: -139.574 flat angles P-C4'-P energy: -77.223 tors. eta vs tors. theta energy: -204.928 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: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2145.548423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.548423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.548423 (E_RNA) where: Base-Base interactions energy: -1525.391 where: short stacking energy: -633.360 Base-Backbone interact. energy: -2.559 local terms energy: -617.599058 where: bonds (distance) C4'-P energy: -120.421 bonds (distance) P-C4' energy: -97.518 flat angles C4'-P-C4' energy: -130.812 flat angles P-C4'-P energy: -82.644 tors. eta vs tors. theta energy: -186.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1874.442116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.442116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.442116 (E_RNA) where: Base-Base interactions energy: -1311.971 where: short stacking energy: -547.121 Base-Backbone interact. energy: -0.149 local terms energy: -562.322178 where: bonds (distance) C4'-P energy: -109.368 bonds (distance) P-C4' energy: -121.447 flat angles C4'-P-C4' energy: -115.170 flat angles P-C4'-P energy: -64.992 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: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1670.115411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.115411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.115411 (E_RNA) where: Base-Base interactions energy: -1122.455 where: short stacking energy: -459.502 Base-Backbone interact. energy: -2.571 local terms energy: -545.088688 where: bonds (distance) C4'-P energy: -117.040 bonds (distance) P-C4' energy: -124.329 flat angles C4'-P-C4' energy: -118.056 flat angles P-C4'-P energy: -59.729 tors. eta vs tors. theta energy: -125.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1206.102478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.102478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.102478 (E_RNA) where: Base-Base interactions energy: -772.329 where: short stacking energy: -341.728 Base-Backbone interact. energy: 6.809 local terms energy: -440.582510 where: bonds (distance) C4'-P energy: -107.119 bonds (distance) P-C4' energy: -118.322 flat angles C4'-P-C4' energy: -93.621 flat angles P-C4'-P energy: -58.363 tors. eta vs tors. theta energy: -63.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2700.976263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.976263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.976263 (E_RNA) where: Base-Base interactions energy: -1911.835 where: short stacking energy: -764.235 Base-Backbone interact. energy: -3.596 local terms energy: -785.545760 where: bonds (distance) C4'-P energy: -131.852 bonds (distance) P-C4' energy: -142.167 flat angles C4'-P-C4' energy: -159.541 flat angles P-C4'-P energy: -108.008 tors. eta vs tors. theta energy: -243.977 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: 362 Temperature: 0.950000 Total energy: -2574.229828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.229828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.229828 (E_RNA) where: Base-Base interactions energy: -1827.278 where: short stacking energy: -724.387 Base-Backbone interact. energy: -4.173 local terms energy: -742.778773 where: bonds (distance) C4'-P energy: -137.294 bonds (distance) P-C4' energy: -137.781 flat angles C4'-P-C4' energy: -147.749 flat angles P-C4'-P energy: -101.778 tors. eta vs tors. theta energy: -218.176 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: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2559.618440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.618440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.618440 (E_RNA) where: Base-Base interactions energy: -1826.795 where: short stacking energy: -738.871 Base-Backbone interact. energy: -0.496 local terms energy: -732.327810 where: bonds (distance) C4'-P energy: -130.727 bonds (distance) P-C4' energy: -131.364 flat angles C4'-P-C4' energy: -151.247 flat angles P-C4'-P energy: -96.282 tors. eta vs tors. theta energy: -222.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2491.008187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.008187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.008187 (E_RNA) where: Base-Base interactions energy: -1781.614 where: short stacking energy: -712.798 Base-Backbone interact. energy: -1.967 local terms energy: -707.427387 where: bonds (distance) C4'-P energy: -127.934 bonds (distance) P-C4' energy: -130.012 flat angles C4'-P-C4' energy: -152.242 flat angles P-C4'-P energy: -92.059 tors. eta vs tors. theta energy: -205.181 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: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2363.756794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.756794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.756794 (E_RNA) where: Base-Base interactions energy: -1672.133 where: short stacking energy: -684.799 Base-Backbone interact. energy: -1.469 local terms energy: -690.155166 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -119.817 flat angles C4'-P-C4' energy: -125.726 flat angles P-C4'-P energy: -97.400 tors. eta vs tors. theta energy: -224.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2286.224474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.224474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.224474 (E_RNA) where: Base-Base interactions energy: -1600.143 where: short stacking energy: -677.415 Base-Backbone interact. energy: -1.197 local terms energy: -684.884195 where: bonds (distance) C4'-P energy: -112.363 bonds (distance) P-C4' energy: -128.853 flat angles C4'-P-C4' energy: -141.100 flat angles P-C4'-P energy: -93.250 tors. eta vs tors. theta energy: -209.318 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: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2144.190401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.190401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.190401 (E_RNA) where: Base-Base interactions energy: -1497.247 where: short stacking energy: -626.102 Base-Backbone interact. energy: -0.583 local terms energy: -646.359485 where: bonds (distance) C4'-P energy: -127.910 bonds (distance) P-C4' energy: -105.806 flat angles C4'-P-C4' energy: -145.154 flat angles P-C4'-P energy: -84.909 tors. eta vs tors. theta energy: -182.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1887.174241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.174241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.174241 (E_RNA) where: Base-Base interactions energy: -1293.489 where: short stacking energy: -572.106 Base-Backbone interact. energy: -2.832 local terms energy: -590.853964 where: bonds (distance) C4'-P energy: -109.444 bonds (distance) P-C4' energy: -102.505 flat angles C4'-P-C4' energy: -135.102 flat angles P-C4'-P energy: -84.607 tors. eta vs tors. theta energy: -159.196 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: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1673.706473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.706473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.706473 (E_RNA) where: Base-Base interactions energy: -1176.643 where: short stacking energy: -514.651 Base-Backbone interact. energy: 0.525 local terms energy: -497.588051 where: bonds (distance) C4'-P energy: -74.528 bonds (distance) P-C4' energy: -99.374 flat angles C4'-P-C4' energy: -130.876 flat angles P-C4'-P energy: -68.864 tors. eta vs tors. theta energy: -123.945 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: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1234.976237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.976237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.976237 (E_RNA) where: Base-Base interactions energy: -765.828 where: short stacking energy: -335.577 Base-Backbone interact. energy: -1.014 local terms energy: -468.134200 where: bonds (distance) C4'-P energy: -108.418 bonds (distance) P-C4' energy: -128.038 flat angles C4'-P-C4' energy: -97.784 flat angles P-C4'-P energy: -71.747 tors. eta vs tors. theta energy: -62.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2712.680041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.680041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.680041 (E_RNA) where: Base-Base interactions energy: -1914.443 where: short stacking energy: -781.381 Base-Backbone interact. energy: -1.038 local terms energy: -797.199089 where: bonds (distance) C4'-P energy: -140.608 bonds (distance) P-C4' energy: -141.852 flat angles C4'-P-C4' energy: -160.713 flat angles P-C4'-P energy: -108.971 tors. eta vs tors. theta energy: -245.055 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: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2625.714769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.714769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.714769 (E_RNA) where: Base-Base interactions energy: -1890.306 where: short stacking energy: -763.586 Base-Backbone interact. energy: -0.798 local terms energy: -734.611210 where: bonds (distance) C4'-P energy: -124.042 bonds (distance) P-C4' energy: -126.030 flat angles C4'-P-C4' energy: -160.318 flat angles P-C4'-P energy: -107.046 tors. eta vs tors. theta energy: -217.176 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: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2584.465695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.465695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.465695 (E_RNA) where: Base-Base interactions energy: -1859.830 where: short stacking energy: -764.517 Base-Backbone interact. energy: -1.429 local terms energy: -723.207089 where: bonds (distance) C4'-P energy: -129.118 bonds (distance) P-C4' energy: -112.582 flat angles C4'-P-C4' energy: -151.078 flat angles P-C4'-P energy: -100.722 tors. eta vs tors. theta energy: -229.708 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: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2507.747524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.747524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.747524 (E_RNA) where: Base-Base interactions energy: -1781.123 where: short stacking energy: -709.254 Base-Backbone interact. energy: -0.821 local terms energy: -725.803831 where: bonds (distance) C4'-P energy: -118.607 bonds (distance) P-C4' energy: -123.957 flat angles C4'-P-C4' energy: -158.890 flat angles P-C4'-P energy: -111.547 tors. eta vs tors. theta energy: -212.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2350.675227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.675227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.675227 (E_RNA) where: Base-Base interactions energy: -1660.529 where: short stacking energy: -692.267 Base-Backbone interact. energy: -0.983 local terms energy: -689.162961 where: bonds (distance) C4'-P energy: -118.577 bonds (distance) P-C4' energy: -120.011 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -88.227 tors. eta vs tors. theta energy: -223.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2255.981510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.981510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.981510 (E_RNA) where: Base-Base interactions energy: -1584.316 where: short stacking energy: -668.054 Base-Backbone interact. energy: 1.480 local terms energy: -673.144822 where: bonds (distance) C4'-P energy: -107.718 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -146.576 flat angles P-C4'-P energy: -86.464 tors. eta vs tors. theta energy: -205.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2239.764283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.764283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.764283 (E_RNA) where: Base-Base interactions energy: -1572.499 where: short stacking energy: -634.211 Base-Backbone interact. energy: -0.493 local terms energy: -666.771347 where: bonds (distance) C4'-P energy: -127.724 bonds (distance) P-C4' energy: -112.670 flat angles C4'-P-C4' energy: -132.273 flat angles P-C4'-P energy: -87.895 tors. eta vs tors. theta energy: -206.209 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: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1850.930793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.930793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.930793 (E_RNA) where: Base-Base interactions energy: -1296.323 where: short stacking energy: -526.010 Base-Backbone interact. energy: 2.573 local terms energy: -557.180910 where: bonds (distance) C4'-P energy: -120.701 bonds (distance) P-C4' energy: -85.538 flat angles C4'-P-C4' energy: -129.799 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -128.102 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: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1594.390315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.390315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.390315 (E_RNA) where: Base-Base interactions energy: -1121.624 where: short stacking energy: -474.174 Base-Backbone interact. energy: 6.581 local terms energy: -479.347294 where: bonds (distance) C4'-P energy: -99.775 bonds (distance) P-C4' energy: -88.476 flat angles C4'-P-C4' energy: -118.594 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: -113.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1266.525704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.525704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.525704 (E_RNA) where: Base-Base interactions energy: -818.925 where: short stacking energy: -369.925 Base-Backbone interact. energy: -2.774 local terms energy: -444.825998 where: bonds (distance) C4'-P energy: -98.345 bonds (distance) P-C4' energy: -107.703 flat angles C4'-P-C4' energy: -109.544 flat angles P-C4'-P energy: -67.409 tors. eta vs tors. theta energy: -61.826 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: 364 Temperature: 0.900000 Total energy: -2756.589183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.589183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.589183 (E_RNA) where: Base-Base interactions energy: -1940.824 where: short stacking energy: -786.046 Base-Backbone interact. energy: -2.678 local terms energy: -813.087090 where: bonds (distance) C4'-P energy: -142.645 bonds (distance) P-C4' energy: -144.166 flat angles C4'-P-C4' energy: -167.999 flat angles P-C4'-P energy: -116.144 tors. eta vs tors. theta energy: -242.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2615.089987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.089987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.089987 (E_RNA) where: Base-Base interactions energy: -1899.051 where: short stacking energy: -764.847 Base-Backbone interact. energy: -1.755 local terms energy: -714.283860 where: bonds (distance) C4'-P energy: -113.111 bonds (distance) P-C4' energy: -119.443 flat angles C4'-P-C4' energy: -152.952 flat angles P-C4'-P energy: -109.425 tors. eta vs tors. theta energy: -219.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2571.204740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.204740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.204740 (E_RNA) where: Base-Base interactions energy: -1836.946 where: short stacking energy: -743.041 Base-Backbone interact. energy: -3.861 local terms energy: -730.397255 where: bonds (distance) C4'-P energy: -133.995 bonds (distance) P-C4' energy: -110.956 flat angles C4'-P-C4' energy: -150.911 flat angles P-C4'-P energy: -104.597 tors. eta vs tors. theta energy: -229.939 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: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2508.244036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.244036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.244036 (E_RNA) where: Base-Base interactions energy: -1783.376 where: short stacking energy: -719.352 Base-Backbone interact. energy: -1.599 local terms energy: -723.268708 where: bonds (distance) C4'-P energy: -115.732 bonds (distance) P-C4' energy: -124.844 flat angles C4'-P-C4' energy: -160.536 flat angles P-C4'-P energy: -98.696 tors. eta vs tors. theta energy: -223.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2396.640316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.640316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.640316 (E_RNA) where: Base-Base interactions energy: -1696.486 where: short stacking energy: -709.032 Base-Backbone interact. energy: -2.770 local terms energy: -697.383433 where: bonds (distance) C4'-P energy: -119.408 bonds (distance) P-C4' energy: -127.417 flat angles C4'-P-C4' energy: -136.175 flat angles P-C4'-P energy: -90.854 tors. eta vs tors. theta energy: -223.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2318.282185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.282185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.282185 (E_RNA) where: Base-Base interactions energy: -1641.908 where: short stacking energy: -680.943 Base-Backbone interact. energy: -1.721 local terms energy: -674.653243 where: bonds (distance) C4'-P energy: -118.443 bonds (distance) P-C4' energy: -109.535 flat angles C4'-P-C4' energy: -141.571 flat angles P-C4'-P energy: -93.414 tors. eta vs tors. theta energy: -211.690 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: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2211.604197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.604197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.604197 (E_RNA) where: Base-Base interactions energy: -1581.968 where: short stacking energy: -651.262 Base-Backbone interact. energy: 1.394 local terms energy: -631.030269 where: bonds (distance) C4'-P energy: -96.386 bonds (distance) P-C4' energy: -110.709 flat angles C4'-P-C4' energy: -147.419 flat angles P-C4'-P energy: -80.138 tors. eta vs tors. theta energy: -196.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1879.857821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.857821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.857821 (E_RNA) where: Base-Base interactions energy: -1327.301 where: short stacking energy: -554.730 Base-Backbone interact. energy: -2.168 local terms energy: -550.388249 where: bonds (distance) C4'-P energy: -93.716 bonds (distance) P-C4' energy: -113.644 flat angles C4'-P-C4' energy: -126.589 flat angles P-C4'-P energy: -73.432 tors. eta vs tors. theta energy: -143.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1634.202404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.202404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.202404 (E_RNA) where: Base-Base interactions energy: -1163.294 where: short stacking energy: -476.992 Base-Backbone interact. energy: 0.047 local terms energy: -470.954875 where: bonds (distance) C4'-P energy: -96.666 bonds (distance) P-C4' energy: -88.884 flat angles C4'-P-C4' energy: -109.004 flat angles P-C4'-P energy: -66.718 tors. eta vs tors. theta energy: -109.682 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: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1133.617806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.617806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.617806 (E_RNA) where: Base-Base interactions energy: -685.666 where: short stacking energy: -303.064 Base-Backbone interact. energy: 3.395 local terms energy: -451.346819 where: bonds (distance) C4'-P energy: -103.873 bonds (distance) P-C4' energy: -124.648 flat angles C4'-P-C4' energy: -93.725 flat angles P-C4'-P energy: -72.117 tors. eta vs tors. theta energy: -56.984 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: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2696.627687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.627687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.627687 (E_RNA) where: Base-Base interactions energy: -1908.596 where: short stacking energy: -771.096 Base-Backbone interact. energy: -2.275 local terms energy: -785.756846 where: bonds (distance) C4'-P energy: -123.961 bonds (distance) P-C4' energy: -138.473 flat angles C4'-P-C4' energy: -159.808 flat angles P-C4'-P energy: -124.269 tors. eta vs tors. theta energy: -239.245 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: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2595.734155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.734155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.734155 (E_RNA) where: Base-Base interactions energy: -1862.678 where: short stacking energy: -757.540 Base-Backbone interact. energy: 3.994 local terms energy: -737.049341 where: bonds (distance) C4'-P energy: -135.029 bonds (distance) P-C4' energy: -132.965 flat angles C4'-P-C4' energy: -151.800 flat angles P-C4'-P energy: -99.423 tors. eta vs tors. theta energy: -217.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2578.599239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.599239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.599239 (E_RNA) where: Base-Base interactions energy: -1837.915 where: short stacking energy: -763.216 Base-Backbone interact. energy: -2.089 local terms energy: -738.595373 where: bonds (distance) C4'-P energy: -118.070 bonds (distance) P-C4' energy: -128.357 flat angles C4'-P-C4' energy: -164.496 flat angles P-C4'-P energy: -93.248 tors. eta vs tors. theta energy: -234.425 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: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2510.955918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.955918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.955918 (E_RNA) where: Base-Base interactions energy: -1794.815 where: short stacking energy: -710.110 Base-Backbone interact. energy: -1.769 local terms energy: -714.372365 where: bonds (distance) C4'-P energy: -116.019 bonds (distance) P-C4' energy: -143.031 flat angles C4'-P-C4' energy: -139.407 flat angles P-C4'-P energy: -106.503 tors. eta vs tors. theta energy: -209.413 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: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2385.894411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.894411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.894411 (E_RNA) where: Base-Base interactions energy: -1688.281 where: short stacking energy: -721.132 Base-Backbone interact. energy: -4.172 local terms energy: -693.441345 where: bonds (distance) C4'-P energy: -114.330 bonds (distance) P-C4' energy: -115.006 flat angles C4'-P-C4' energy: -151.786 flat angles P-C4'-P energy: -91.989 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: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2327.138103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.138103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.138103 (E_RNA) where: Base-Base interactions energy: -1647.566 where: short stacking energy: -677.893 Base-Backbone interact. energy: -0.437 local terms energy: -679.134466 where: bonds (distance) C4'-P energy: -122.930 bonds (distance) P-C4' energy: -124.250 flat angles C4'-P-C4' energy: -137.829 flat angles P-C4'-P energy: -89.729 tors. eta vs tors. theta energy: -204.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2148.614928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.614928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.614928 (E_RNA) where: Base-Base interactions energy: -1497.927 where: short stacking energy: -627.397 Base-Backbone interact. energy: -2.271 local terms energy: -648.416549 where: bonds (distance) C4'-P energy: -113.005 bonds (distance) P-C4' energy: -110.742 flat angles C4'-P-C4' energy: -130.996 flat angles P-C4'-P energy: -93.355 tors. eta vs tors. theta energy: -200.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1962.082224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.082224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.082224 (E_RNA) where: Base-Base interactions energy: -1366.552 where: short stacking energy: -545.288 Base-Backbone interact. energy: -1.152 local terms energy: -594.378521 where: bonds (distance) C4'-P energy: -107.148 bonds (distance) P-C4' energy: -121.433 flat angles C4'-P-C4' energy: -127.989 flat angles P-C4'-P energy: -88.733 tors. eta vs tors. theta energy: -149.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1658.527285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.527285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.527285 (E_RNA) where: Base-Base interactions energy: -1168.879 where: short stacking energy: -468.664 Base-Backbone interact. energy: -0.369 local terms energy: -489.279208 where: bonds (distance) C4'-P energy: -104.810 bonds (distance) P-C4' energy: -94.714 flat angles C4'-P-C4' energy: -114.551 flat angles P-C4'-P energy: -66.030 tors. eta vs tors. theta energy: -109.175 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: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1144.070297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.070297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.070297 (E_RNA) where: Base-Base interactions energy: -716.286 where: short stacking energy: -325.644 Base-Backbone interact. energy: -1.094 local terms energy: -426.690254 where: bonds (distance) C4'-P energy: -93.322 bonds (distance) P-C4' energy: -104.090 flat angles C4'-P-C4' energy: -97.464 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -61.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2694.532421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.532421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.532421 (E_RNA) where: Base-Base interactions energy: -1919.662 where: short stacking energy: -772.670 Base-Backbone interact. energy: -0.582 local terms energy: -774.288899 where: bonds (distance) C4'-P energy: -123.122 bonds (distance) P-C4' energy: -123.564 flat angles C4'-P-C4' energy: -166.807 flat angles P-C4'-P energy: -121.656 tors. eta vs tors. theta energy: -239.140 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: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2595.356209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.356209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.356209 (E_RNA) where: Base-Base interactions energy: -1859.922 where: short stacking energy: -750.014 Base-Backbone interact. energy: -1.639 local terms energy: -733.795759 where: bonds (distance) C4'-P energy: -127.941 bonds (distance) P-C4' energy: -141.853 flat angles C4'-P-C4' energy: -147.243 flat angles P-C4'-P energy: -97.058 tors. eta vs tors. theta energy: -219.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2585.211809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.211809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.211809 (E_RNA) where: Base-Base interactions energy: -1849.469 where: short stacking energy: -764.609 Base-Backbone interact. energy: -1.302 local terms energy: -734.441611 where: bonds (distance) C4'-P energy: -107.044 bonds (distance) P-C4' energy: -136.053 flat angles C4'-P-C4' energy: -154.461 flat angles P-C4'-P energy: -110.841 tors. eta vs tors. theta energy: -226.043 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: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2497.177314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.177314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.177314 (E_RNA) where: Base-Base interactions energy: -1783.291 where: short stacking energy: -722.509 Base-Backbone interact. energy: -2.064 local terms energy: -711.822557 where: bonds (distance) C4'-P energy: -117.565 bonds (distance) P-C4' energy: -130.731 flat angles C4'-P-C4' energy: -145.366 flat angles P-C4'-P energy: -97.057 tors. eta vs tors. theta energy: -221.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2353.551371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.551371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.551371 (E_RNA) where: Base-Base interactions energy: -1686.431 where: short stacking energy: -702.371 Base-Backbone interact. energy: 0.680 local terms energy: -667.800476 where: bonds (distance) C4'-P energy: -110.954 bonds (distance) P-C4' energy: -110.399 flat angles C4'-P-C4' energy: -137.832 flat angles P-C4'-P energy: -107.951 tors. eta vs tors. theta energy: -200.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2302.517255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.517255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.517255 (E_RNA) where: Base-Base interactions energy: -1619.387 where: short stacking energy: -668.744 Base-Backbone interact. energy: -2.172 local terms energy: -680.958707 where: bonds (distance) C4'-P energy: -124.056 bonds (distance) P-C4' energy: -118.371 flat angles C4'-P-C4' energy: -135.408 flat angles P-C4'-P energy: -83.925 tors. eta vs tors. theta energy: -219.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2148.751298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.751298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.751298 (E_RNA) where: Base-Base interactions energy: -1508.943 where: short stacking energy: -619.643 Base-Backbone interact. energy: -1.751 local terms energy: -638.057312 where: bonds (distance) C4'-P energy: -109.090 bonds (distance) P-C4' energy: -131.398 flat angles C4'-P-C4' energy: -138.236 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -175.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1924.553826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.553826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.553826 (E_RNA) where: Base-Base interactions energy: -1345.058 where: short stacking energy: -564.676 Base-Backbone interact. energy: -3.088 local terms energy: -576.407592 where: bonds (distance) C4'-P energy: -112.165 bonds (distance) P-C4' energy: -118.582 flat angles C4'-P-C4' energy: -112.830 flat angles P-C4'-P energy: -82.438 tors. eta vs tors. theta energy: -150.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1611.568105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.568105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.568105 (E_RNA) where: Base-Base interactions energy: -1107.864 where: short stacking energy: -464.391 Base-Backbone interact. energy: -3.355 local terms energy: -500.348384 where: bonds (distance) C4'-P energy: -98.416 bonds (distance) P-C4' energy: -78.064 flat angles C4'-P-C4' energy: -126.274 flat angles P-C4'-P energy: -84.767 tors. eta vs tors. theta energy: -112.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1200.933592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.933592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.933592 (E_RNA) where: Base-Base interactions energy: -764.098 where: short stacking energy: -340.458 Base-Backbone interact. energy: 2.156 local terms energy: -438.992152 where: bonds (distance) C4'-P energy: -104.514 bonds (distance) P-C4' energy: -126.327 flat angles C4'-P-C4' energy: -108.151 flat angles P-C4'-P energy: -49.501 tors. eta vs tors. theta energy: -50.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2694.196439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.196439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.196439 (E_RNA) where: Base-Base interactions energy: -1913.661 where: short stacking energy: -768.417 Base-Backbone interact. energy: -0.894 local terms energy: -779.641060 where: bonds (distance) C4'-P energy: -133.996 bonds (distance) P-C4' energy: -139.983 flat angles C4'-P-C4' energy: -163.799 flat angles P-C4'-P energy: -106.072 tors. eta vs tors. theta energy: -235.790 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: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2612.499022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.499022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.499022 (E_RNA) where: Base-Base interactions energy: -1857.718 where: short stacking energy: -754.141 Base-Backbone interact. energy: -0.998 local terms energy: -753.783597 where: bonds (distance) C4'-P energy: -133.546 bonds (distance) P-C4' energy: -132.279 flat angles C4'-P-C4' energy: -159.524 flat angles P-C4'-P energy: -103.355 tors. eta vs tors. theta energy: -225.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2575.172466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.172466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.172466 (E_RNA) where: Base-Base interactions energy: -1822.882 where: short stacking energy: -741.618 Base-Backbone interact. energy: 0.196 local terms energy: -752.486689 where: bonds (distance) C4'-P energy: -137.616 bonds (distance) P-C4' energy: -122.079 flat angles C4'-P-C4' energy: -155.844 flat angles P-C4'-P energy: -106.189 tors. eta vs tors. theta energy: -230.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2506.468250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.468250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.468250 (E_RNA) where: Base-Base interactions energy: -1801.920 where: short stacking energy: -719.463 Base-Backbone interact. energy: -2.488 local terms energy: -702.059936 where: bonds (distance) C4'-P energy: -103.081 bonds (distance) P-C4' energy: -126.371 flat angles C4'-P-C4' energy: -148.518 flat angles P-C4'-P energy: -105.460 tors. eta vs tors. theta energy: -218.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2426.600317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.600317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.600317 (E_RNA) where: Base-Base interactions energy: -1718.034 where: short stacking energy: -715.212 Base-Backbone interact. energy: -0.535 local terms energy: -708.031815 where: bonds (distance) C4'-P energy: -111.159 bonds (distance) P-C4' energy: -126.555 flat angles C4'-P-C4' energy: -151.997 flat angles P-C4'-P energy: -95.048 tors. eta vs tors. theta energy: -223.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2343.169358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.169358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.169358 (E_RNA) where: Base-Base interactions energy: -1669.752 where: short stacking energy: -698.755 Base-Backbone interact. energy: 1.734 local terms energy: -675.151237 where: bonds (distance) C4'-P energy: -118.363 bonds (distance) P-C4' energy: -97.893 flat angles C4'-P-C4' energy: -139.872 flat angles P-C4'-P energy: -98.698 tors. eta vs tors. theta energy: -220.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2115.473063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.473063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.473063 (E_RNA) where: Base-Base interactions energy: -1479.033 where: short stacking energy: -604.382 Base-Backbone interact. energy: 0.874 local terms energy: -637.313690 where: bonds (distance) C4'-P energy: -123.469 bonds (distance) P-C4' energy: -116.315 flat angles C4'-P-C4' energy: -119.992 flat angles P-C4'-P energy: -89.127 tors. eta vs tors. theta energy: -188.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1939.550419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.550419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.550419 (E_RNA) where: Base-Base interactions energy: -1352.535 where: short stacking energy: -556.552 Base-Backbone interact. energy: -1.761 local terms energy: -585.254280 where: bonds (distance) C4'-P energy: -107.336 bonds (distance) P-C4' energy: -112.428 flat angles C4'-P-C4' energy: -122.445 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -161.887 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: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1553.739638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.739638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.739638 (E_RNA) where: Base-Base interactions energy: -1026.384 where: short stacking energy: -417.549 Base-Backbone interact. energy: -0.730 local terms energy: -526.625361 where: bonds (distance) C4'-P energy: -134.792 bonds (distance) P-C4' energy: -101.379 flat angles C4'-P-C4' energy: -121.981 flat angles P-C4'-P energy: -65.932 tors. eta vs tors. theta energy: -102.542 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: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1143.842865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.842865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.842865 (E_RNA) where: Base-Base interactions energy: -703.353 where: short stacking energy: -298.595 Base-Backbone interact. energy: 2.052 local terms energy: -442.541276 where: bonds (distance) C4'-P energy: -97.376 bonds (distance) P-C4' energy: -131.444 flat angles C4'-P-C4' energy: -114.047 flat angles P-C4'-P energy: -70.041 tors. eta vs tors. theta energy: -29.632 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: 368 Temperature: 0.900000 Total energy: -2705.615800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.615800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.615800 (E_RNA) where: Base-Base interactions energy: -1918.351 where: short stacking energy: -769.700 Base-Backbone interact. energy: -2.709 local terms energy: -784.556356 where: bonds (distance) C4'-P energy: -144.914 bonds (distance) P-C4' energy: -134.638 flat angles C4'-P-C4' energy: -156.011 flat angles P-C4'-P energy: -110.367 tors. eta vs tors. theta energy: -238.626 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: 368 Temperature: 0.950000 Total energy: -2625.184329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.184329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.184329 (E_RNA) where: Base-Base interactions energy: -1865.188 where: short stacking energy: -772.636 Base-Backbone interact. energy: -1.751 local terms energy: -758.245121 where: bonds (distance) C4'-P energy: -139.978 bonds (distance) P-C4' energy: -131.921 flat angles C4'-P-C4' energy: -155.405 flat angles P-C4'-P energy: -111.213 tors. eta vs tors. theta energy: -219.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2562.163338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.163338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.163338 (E_RNA) where: Base-Base interactions energy: -1842.472 where: short stacking energy: -753.223 Base-Backbone interact. energy: 3.083 local terms energy: -722.774351 where: bonds (distance) C4'-P energy: -118.070 bonds (distance) P-C4' energy: -123.467 flat angles C4'-P-C4' energy: -154.498 flat angles P-C4'-P energy: -103.333 tors. eta vs tors. theta energy: -223.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2511.473550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.473550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.473550 (E_RNA) where: Base-Base interactions energy: -1801.067 where: short stacking energy: -708.701 Base-Backbone interact. energy: -0.645 local terms energy: -709.761018 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -123.677 flat angles C4'-P-C4' energy: -151.725 flat angles P-C4'-P energy: -103.958 tors. eta vs tors. theta energy: -209.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2388.300137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.300137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.300137 (E_RNA) where: Base-Base interactions energy: -1696.825 where: short stacking energy: -696.163 Base-Backbone interact. energy: -0.743 local terms energy: -690.731554 where: bonds (distance) C4'-P energy: -122.696 bonds (distance) P-C4' energy: -110.250 flat angles C4'-P-C4' energy: -134.612 flat angles P-C4'-P energy: -103.596 tors. eta vs tors. theta energy: -219.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2308.998436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.998436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.998436 (E_RNA) where: Base-Base interactions energy: -1648.386 where: short stacking energy: -678.608 Base-Backbone interact. energy: 1.239 local terms energy: -661.852249 where: bonds (distance) C4'-P energy: -95.169 bonds (distance) P-C4' energy: -114.555 flat angles C4'-P-C4' energy: -150.015 flat angles P-C4'-P energy: -97.439 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: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2084.846238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.846238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.846238 (E_RNA) where: Base-Base interactions energy: -1441.933 where: short stacking energy: -603.512 Base-Backbone interact. energy: -1.960 local terms energy: -640.953137 where: bonds (distance) C4'-P energy: -122.251 bonds (distance) P-C4' energy: -121.602 flat angles C4'-P-C4' energy: -135.658 flat angles P-C4'-P energy: -93.970 tors. eta vs tors. theta energy: -167.471 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: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1914.782425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.782425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.782425 (E_RNA) where: Base-Base interactions energy: -1332.141 where: short stacking energy: -552.979 Base-Backbone interact. energy: -2.891 local terms energy: -579.750162 where: bonds (distance) C4'-P energy: -100.392 bonds (distance) P-C4' energy: -105.725 flat angles C4'-P-C4' energy: -131.469 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -155.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1545.469934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.469934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.469934 (E_RNA) where: Base-Base interactions energy: -1102.605 where: short stacking energy: -448.405 Base-Backbone interact. energy: 1.504 local terms energy: -444.368815 where: bonds (distance) C4'-P energy: -88.758 bonds (distance) P-C4' energy: -98.138 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -89.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1230.673842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.673842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.673842 (E_RNA) where: Base-Base interactions energy: -782.838 where: short stacking energy: -348.344 Base-Backbone interact. energy: 2.215 local terms energy: -450.051158 where: bonds (distance) C4'-P energy: -108.897 bonds (distance) P-C4' energy: -122.986 flat angles C4'-P-C4' energy: -100.491 flat angles P-C4'-P energy: -48.398 tors. eta vs tors. theta energy: -69.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2680.492823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.492823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.492823 (E_RNA) where: Base-Base interactions energy: -1893.174 where: short stacking energy: -777.031 Base-Backbone interact. energy: -0.724 local terms energy: -786.594661 where: bonds (distance) C4'-P energy: -139.591 bonds (distance) P-C4' energy: -135.132 flat angles C4'-P-C4' energy: -160.030 flat angles P-C4'-P energy: -105.879 tors. eta vs tors. theta energy: -245.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2595.293795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.293795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.293795 (E_RNA) where: Base-Base interactions energy: -1859.576 where: short stacking energy: -749.243 Base-Backbone interact. energy: -1.536 local terms energy: -734.181218 where: bonds (distance) C4'-P energy: -126.888 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -151.075 flat angles P-C4'-P energy: -99.919 tors. eta vs tors. theta energy: -219.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2569.930234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.930234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.930234 (E_RNA) where: Base-Base interactions energy: -1817.998 where: short stacking energy: -731.841 Base-Backbone interact. energy: -2.345 local terms energy: -749.587052 where: bonds (distance) C4'-P energy: -136.337 bonds (distance) P-C4' energy: -127.134 flat angles C4'-P-C4' energy: -154.257 flat angles P-C4'-P energy: -104.804 tors. eta vs tors. theta energy: -227.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2474.342542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.342542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.342542 (E_RNA) where: Base-Base interactions energy: -1779.287 where: short stacking energy: -695.905 Base-Backbone interact. energy: 5.064 local terms energy: -700.119173 where: bonds (distance) C4'-P energy: -123.806 bonds (distance) P-C4' energy: -118.386 flat angles C4'-P-C4' energy: -144.027 flat angles P-C4'-P energy: -96.725 tors. eta vs tors. theta energy: -217.176 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: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2378.951996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.951996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.951996 (E_RNA) where: Base-Base interactions energy: -1668.539 where: short stacking energy: -690.734 Base-Backbone interact. energy: -1.198 local terms energy: -709.215248 where: bonds (distance) C4'-P energy: -132.207 bonds (distance) P-C4' energy: -130.092 flat angles C4'-P-C4' energy: -136.407 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -221.785 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: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2297.301292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.301292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.301292 (E_RNA) where: Base-Base interactions energy: -1633.146 where: short stacking energy: -684.821 Base-Backbone interact. energy: -1.906 local terms energy: -662.249421 where: bonds (distance) C4'-P energy: -116.167 bonds (distance) P-C4' energy: -116.166 flat angles C4'-P-C4' energy: -128.617 flat angles P-C4'-P energy: -94.855 tors. eta vs tors. theta energy: -206.443 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: 369 Temperature: 1.200000 Total energy: -2141.088571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.088571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.088571 (E_RNA) where: Base-Base interactions energy: -1508.270 where: short stacking energy: -617.690 Base-Backbone interact. energy: -1.106 local terms energy: -631.712588 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -110.983 flat angles C4'-P-C4' energy: -129.072 flat angles P-C4'-P energy: -90.445 tors. eta vs tors. theta energy: -188.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1928.372062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.372062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.372062 (E_RNA) where: Base-Base interactions energy: -1341.215 where: short stacking energy: -544.056 Base-Backbone interact. energy: -1.063 local terms energy: -586.094499 where: bonds (distance) C4'-P energy: -109.648 bonds (distance) P-C4' energy: -92.534 flat angles C4'-P-C4' energy: -134.664 flat angles P-C4'-P energy: -92.113 tors. eta vs tors. theta energy: -157.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1597.051956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.051956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.051956 (E_RNA) where: Base-Base interactions energy: -1096.701 where: short stacking energy: -458.838 Base-Backbone interact. energy: -3.574 local terms energy: -496.777495 where: bonds (distance) C4'-P energy: -96.581 bonds (distance) P-C4' energy: -115.656 flat angles C4'-P-C4' energy: -114.240 flat angles P-C4'-P energy: -69.902 tors. eta vs tors. theta energy: -100.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1190.284667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.284667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.284667 (E_RNA) where: Base-Base interactions energy: -757.819 where: short stacking energy: -335.236 Base-Backbone interact. energy: -1.822 local terms energy: -430.643643 where: bonds (distance) C4'-P energy: -112.827 bonds (distance) P-C4' energy: -97.498 flat angles C4'-P-C4' energy: -119.065 flat angles P-C4'-P energy: -55.392 tors. eta vs tors. theta energy: -45.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2703.984094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.984094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.984094 (E_RNA) where: Base-Base interactions energy: -1935.530 where: short stacking energy: -788.366 Base-Backbone interact. energy: -0.960 local terms energy: -767.494834 where: bonds (distance) C4'-P energy: -127.358 bonds (distance) P-C4' energy: -128.072 flat angles C4'-P-C4' energy: -158.609 flat angles P-C4'-P energy: -106.811 tors. eta vs tors. theta energy: -246.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2581.807321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.807321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.807321 (E_RNA) where: Base-Base interactions energy: -1851.918 where: short stacking energy: -768.927 Base-Backbone interact. energy: -2.115 local terms energy: -727.774662 where: bonds (distance) C4'-P energy: -137.113 bonds (distance) P-C4' energy: -103.953 flat angles C4'-P-C4' energy: -154.942 flat angles P-C4'-P energy: -102.230 tors. eta vs tors. theta energy: -229.536 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: 5 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2556.907603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.907603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.907603 (E_RNA) where: Base-Base interactions energy: -1828.870 where: short stacking energy: -716.383 Base-Backbone interact. energy: -1.968 local terms energy: -726.069301 where: bonds (distance) C4'-P energy: -129.883 bonds (distance) P-C4' energy: -116.073 flat angles C4'-P-C4' energy: -151.469 flat angles P-C4'-P energy: -107.151 tors. eta vs tors. theta energy: -221.494 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: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2486.970412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.970412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.970412 (E_RNA) where: Base-Base interactions energy: -1774.127 where: short stacking energy: -707.094 Base-Backbone interact. energy: 1.926 local terms energy: -714.769754 where: bonds (distance) C4'-P energy: -132.265 bonds (distance) P-C4' energy: -109.281 flat angles C4'-P-C4' energy: -152.861 flat angles P-C4'-P energy: -103.843 tors. eta vs tors. theta energy: -216.519 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: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2383.103107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.103107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.103107 (E_RNA) where: Base-Base interactions energy: -1678.780 where: short stacking energy: -677.501 Base-Backbone interact. energy: -1.435 local terms energy: -702.888603 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -109.655 flat angles C4'-P-C4' energy: -146.556 flat angles P-C4'-P energy: -98.798 tors. eta vs tors. theta energy: -223.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2363.944157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.944157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.944157 (E_RNA) where: Base-Base interactions energy: -1679.048 where: short stacking energy: -698.103 Base-Backbone interact. energy: 0.215 local terms energy: -685.110907 where: bonds (distance) C4'-P energy: -100.614 bonds (distance) P-C4' energy: -120.796 flat angles C4'-P-C4' energy: -150.870 flat angles P-C4'-P energy: -96.942 tors. eta vs tors. theta energy: -215.890 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: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2164.811967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.811967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.811967 (E_RNA) where: Base-Base interactions energy: -1519.432 where: short stacking energy: -643.211 Base-Backbone interact. energy: 0.881 local terms energy: -646.260755 where: bonds (distance) C4'-P energy: -106.716 bonds (distance) P-C4' energy: -125.793 flat angles C4'-P-C4' energy: -139.829 flat angles P-C4'-P energy: -85.443 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: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1901.804718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.804718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.804718 (E_RNA) where: Base-Base interactions energy: -1324.830 where: short stacking energy: -525.454 Base-Backbone interact. energy: -2.431 local terms energy: -574.543275 where: bonds (distance) C4'-P energy: -116.076 bonds (distance) P-C4' energy: -122.895 flat angles C4'-P-C4' energy: -106.677 flat angles P-C4'-P energy: -77.346 tors. eta vs tors. theta energy: -151.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1587.436976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.436976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.436976 (E_RNA) where: Base-Base interactions energy: -1083.919 where: short stacking energy: -445.259 Base-Backbone interact. energy: 6.599 local terms energy: -510.116642 where: bonds (distance) C4'-P energy: -92.357 bonds (distance) P-C4' energy: -111.634 flat angles C4'-P-C4' energy: -123.782 flat angles P-C4'-P energy: -88.425 tors. eta vs tors. theta energy: -93.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1174.466967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.466967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.466967 (E_RNA) where: Base-Base interactions energy: -737.695 where: short stacking energy: -322.116 Base-Backbone interact. energy: -1.618 local terms energy: -435.154859 where: bonds (distance) C4'-P energy: -104.569 bonds (distance) P-C4' energy: -103.521 flat angles C4'-P-C4' energy: -116.756 flat angles P-C4'-P energy: -55.370 tors. eta vs tors. theta energy: -54.940 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: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2696.696655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.696655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.696655 (E_RNA) where: Base-Base interactions energy: -1909.702 where: short stacking energy: -790.831 Base-Backbone interact. energy: 0.091 local terms energy: -787.085591 where: bonds (distance) C4'-P energy: -133.360 bonds (distance) P-C4' energy: -128.601 flat angles C4'-P-C4' energy: -160.966 flat angles P-C4'-P energy: -120.159 tors. eta vs tors. theta energy: -243.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2585.121779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.121779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.121779 (E_RNA) where: Base-Base interactions energy: -1825.158 where: short stacking energy: -766.507 Base-Backbone interact. energy: 0.831 local terms energy: -760.794791 where: bonds (distance) C4'-P energy: -136.312 bonds (distance) P-C4' energy: -129.047 flat angles C4'-P-C4' energy: -152.677 flat angles P-C4'-P energy: -113.908 tors. eta vs tors. theta energy: -228.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2573.609895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.609895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.609895 (E_RNA) where: Base-Base interactions energy: -1829.831 where: short stacking energy: -745.924 Base-Backbone interact. energy: 2.141 local terms energy: -745.919588 where: bonds (distance) C4'-P energy: -126.967 bonds (distance) P-C4' energy: -121.331 flat angles C4'-P-C4' energy: -165.784 flat angles P-C4'-P energy: -110.343 tors. eta vs tors. theta energy: -221.495 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: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2499.695317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.695317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.695317 (E_RNA) where: Base-Base interactions energy: -1787.649 where: short stacking energy: -719.724 Base-Backbone interact. energy: -2.271 local terms energy: -709.775178 where: bonds (distance) C4'-P energy: -106.376 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -152.926 flat angles P-C4'-P energy: -103.709 tors. eta vs tors. theta energy: -218.419 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: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2409.981201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.981201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.981201 (E_RNA) where: Base-Base interactions energy: -1710.235 where: short stacking energy: -700.906 Base-Backbone interact. energy: -1.057 local terms energy: -698.689090 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -116.519 flat angles C4'-P-C4' energy: -148.050 flat angles P-C4'-P energy: -96.689 tors. eta vs tors. theta energy: -213.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2356.225252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.225252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.225252 (E_RNA) where: Base-Base interactions energy: -1663.613 where: short stacking energy: -686.425 Base-Backbone interact. energy: 1.109 local terms energy: -693.721432 where: bonds (distance) C4'-P energy: -114.012 bonds (distance) P-C4' energy: -135.753 flat angles C4'-P-C4' energy: -126.319 flat angles P-C4'-P energy: -98.034 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: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2177.507468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.507468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.507468 (E_RNA) where: Base-Base interactions energy: -1525.868 where: short stacking energy: -633.281 Base-Backbone interact. energy: -1.377 local terms energy: -650.263033 where: bonds (distance) C4'-P energy: -123.535 bonds (distance) P-C4' energy: -108.636 flat angles C4'-P-C4' energy: -136.017 flat angles P-C4'-P energy: -91.669 tors. eta vs tors. theta energy: -190.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1801.591574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.591574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.591574 (E_RNA) where: Base-Base interactions energy: -1244.659 where: short stacking energy: -533.970 Base-Backbone interact. energy: -2.884 local terms energy: -554.049301 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -112.160 flat angles C4'-P-C4' energy: -129.887 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -148.849 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: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1650.188833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.188833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.188833 (E_RNA) where: Base-Base interactions energy: -1107.046 where: short stacking energy: -494.070 Base-Backbone interact. energy: -1.638 local terms energy: -541.504019 where: bonds (distance) C4'-P energy: -99.700 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -133.043 flat angles P-C4'-P energy: -86.636 tors. eta vs tors. theta energy: -115.218 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: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1232.544478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.544478 (E_RNA) where: Base-Base interactions energy: -786.527 where: short stacking energy: -358.821 Base-Backbone interact. energy: 1.792 local terms energy: -447.809881 where: bonds (distance) C4'-P energy: -83.253 bonds (distance) P-C4' energy: -96.367 flat angles C4'-P-C4' energy: -111.150 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -79.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2708.006734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.006734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.006734 (E_RNA) where: Base-Base interactions energy: -1915.814 where: short stacking energy: -791.686 Base-Backbone interact. energy: -0.663 local terms energy: -791.529943 where: bonds (distance) C4'-P energy: -136.982 bonds (distance) P-C4' energy: -133.939 flat angles C4'-P-C4' energy: -162.466 flat angles P-C4'-P energy: -108.146 tors. eta vs tors. theta energy: -249.997 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: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2600.093562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.093562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.093562 (E_RNA) where: Base-Base interactions energy: -1839.193 where: short stacking energy: -763.517 Base-Backbone interact. energy: -1.607 local terms energy: -759.293975 where: bonds (distance) C4'-P energy: -129.221 bonds (distance) P-C4' energy: -124.456 flat angles C4'-P-C4' energy: -161.030 flat angles P-C4'-P energy: -117.657 tors. eta vs tors. theta energy: -226.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2573.340529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.340529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.340529 (E_RNA) where: Base-Base interactions energy: -1846.564 where: short stacking energy: -756.566 Base-Backbone interact. energy: 0.202 local terms energy: -726.979372 where: bonds (distance) C4'-P energy: -107.976 bonds (distance) P-C4' energy: -130.797 flat angles C4'-P-C4' energy: -155.377 flat angles P-C4'-P energy: -107.716 tors. eta vs tors. theta energy: -225.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2487.562713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.562713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.562713 (E_RNA) where: Base-Base interactions energy: -1816.695 where: short stacking energy: -706.658 Base-Backbone interact. energy: 2.006 local terms energy: -672.873185 where: bonds (distance) C4'-P energy: -94.025 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -135.084 flat angles P-C4'-P energy: -102.205 tors. eta vs tors. theta energy: -217.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2399.184900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.184900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.184900 (E_RNA) where: Base-Base interactions energy: -1686.374 where: short stacking energy: -687.550 Base-Backbone interact. energy: 0.044 local terms energy: -712.854475 where: bonds (distance) C4'-P energy: -113.355 bonds (distance) P-C4' energy: -127.245 flat angles C4'-P-C4' energy: -159.336 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -216.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2301.994632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.994632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.994632 (E_RNA) where: Base-Base interactions energy: -1618.290 where: short stacking energy: -670.685 Base-Backbone interact. energy: -1.788 local terms energy: -681.916699 where: bonds (distance) C4'-P energy: -112.650 bonds (distance) P-C4' energy: -123.051 flat angles C4'-P-C4' energy: -152.840 flat angles P-C4'-P energy: -88.340 tors. eta vs tors. theta energy: -205.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2145.996520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.996520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.996520 (E_RNA) where: Base-Base interactions energy: -1502.900 where: short stacking energy: -592.581 Base-Backbone interact. energy: 0.016 local terms energy: -643.112240 where: bonds (distance) C4'-P energy: -108.830 bonds (distance) P-C4' energy: -115.652 flat angles C4'-P-C4' energy: -141.961 flat angles P-C4'-P energy: -90.699 tors. eta vs tors. theta energy: -185.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1931.617092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.617092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.617092 (E_RNA) where: Base-Base interactions energy: -1351.325 where: short stacking energy: -549.787 Base-Backbone interact. energy: -2.453 local terms energy: -577.838850 where: bonds (distance) C4'-P energy: -98.211 bonds (distance) P-C4' energy: -114.708 flat angles C4'-P-C4' energy: -117.743 flat angles P-C4'-P energy: -87.859 tors. eta vs tors. theta energy: -159.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1636.851876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.851876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.851876 (E_RNA) where: Base-Base interactions energy: -1115.665 where: short stacking energy: -466.393 Base-Backbone interact. energy: 1.546 local terms energy: -522.733015 where: bonds (distance) C4'-P energy: -94.696 bonds (distance) P-C4' energy: -115.917 flat angles C4'-P-C4' energy: -121.925 flat angles P-C4'-P energy: -64.926 tors. eta vs tors. theta energy: -125.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1160.319071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.319071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.319071 (E_RNA) where: Base-Base interactions energy: -739.022 where: short stacking energy: -354.975 Base-Backbone interact. energy: -2.789 local terms energy: -418.508229 where: bonds (distance) C4'-P energy: -109.656 bonds (distance) P-C4' energy: -100.759 flat angles C4'-P-C4' energy: -113.125 flat angles P-C4'-P energy: -45.868 tors. eta vs tors. theta energy: -49.101 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: 373 Temperature: 0.900000 Total energy: -2673.495267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.495267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.495267 (E_RNA) where: Base-Base interactions energy: -1898.980 where: short stacking energy: -777.902 Base-Backbone interact. energy: 1.382 local terms energy: -775.896624 where: bonds (distance) C4'-P energy: -139.713 bonds (distance) P-C4' energy: -141.367 flat angles C4'-P-C4' energy: -148.577 flat angles P-C4'-P energy: -102.495 tors. eta vs tors. theta energy: -243.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2609.941348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.941348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.941348 (E_RNA) where: Base-Base interactions energy: -1845.649 where: short stacking energy: -752.046 Base-Backbone interact. energy: -1.194 local terms energy: -763.098566 where: bonds (distance) C4'-P energy: -139.936 bonds (distance) P-C4' energy: -137.134 flat angles C4'-P-C4' energy: -157.351 flat angles P-C4'-P energy: -98.087 tors. eta vs tors. theta energy: -230.591 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: 1 ===================================== Write number: 373 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: -1822.642 where: short stacking energy: -750.746 Base-Backbone interact. energy: -0.961 local terms energy: -729.793438 where: bonds (distance) C4'-P energy: -113.295 bonds (distance) P-C4' energy: -108.384 flat angles C4'-P-C4' energy: -159.419 flat angles P-C4'-P energy: -121.942 tors. eta vs tors. theta energy: -226.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2481.062549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.062549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.062549 (E_RNA) where: Base-Base interactions energy: -1774.842 where: short stacking energy: -734.806 Base-Backbone interact. energy: -1.693 local terms energy: -704.526711 where: bonds (distance) C4'-P energy: -117.476 bonds (distance) P-C4' energy: -116.419 flat angles C4'-P-C4' energy: -153.341 flat angles P-C4'-P energy: -93.665 tors. eta vs tors. theta energy: -223.626 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: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2497.253111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.253111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.253111 (E_RNA) where: Base-Base interactions energy: -1813.699 where: short stacking energy: -738.667 Base-Backbone interact. energy: 6.749 local terms energy: -690.303181 where: bonds (distance) C4'-P energy: -107.010 bonds (distance) P-C4' energy: -126.763 flat angles C4'-P-C4' energy: -147.088 flat angles P-C4'-P energy: -83.443 tors. eta vs tors. theta energy: -225.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2347.898587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.898587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.898587 (E_RNA) where: Base-Base interactions energy: -1646.944 where: short stacking energy: -657.714 Base-Backbone interact. energy: 0.652 local terms energy: -701.606836 where: bonds (distance) C4'-P energy: -136.003 bonds (distance) P-C4' energy: -123.101 flat angles C4'-P-C4' energy: -129.052 flat angles P-C4'-P energy: -91.210 tors. eta vs tors. theta energy: -222.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2176.027823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.027823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.027823 (E_RNA) where: Base-Base interactions energy: -1544.860 where: short stacking energy: -631.715 Base-Backbone interact. energy: -1.387 local terms energy: -629.780372 where: bonds (distance) C4'-P energy: -105.285 bonds (distance) P-C4' energy: -112.567 flat angles C4'-P-C4' energy: -139.383 flat angles P-C4'-P energy: -87.636 tors. eta vs tors. theta energy: -184.910 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: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1909.935961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.935961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.935961 (E_RNA) where: Base-Base interactions energy: -1344.672 where: short stacking energy: -553.052 Base-Backbone interact. energy: -3.569 local terms energy: -561.694892 where: bonds (distance) C4'-P energy: -106.071 bonds (distance) P-C4' energy: -108.478 flat angles C4'-P-C4' energy: -118.247 flat angles P-C4'-P energy: -69.355 tors. eta vs tors. theta energy: -159.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1636.775692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.775692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.775692 (E_RNA) where: Base-Base interactions energy: -1162.475 where: short stacking energy: -490.993 Base-Backbone interact. energy: 4.112 local terms energy: -478.412223 where: bonds (distance) C4'-P energy: -96.230 bonds (distance) P-C4' energy: -99.960 flat angles C4'-P-C4' energy: -106.230 flat angles P-C4'-P energy: -65.840 tors. eta vs tors. theta energy: -110.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1193.585981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.585981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.585981 (E_RNA) where: Base-Base interactions energy: -757.234 where: short stacking energy: -342.818 Base-Backbone interact. energy: -3.031 local terms energy: -433.321657 where: bonds (distance) C4'-P energy: -114.318 bonds (distance) P-C4' energy: -104.912 flat angles C4'-P-C4' energy: -94.743 flat angles P-C4'-P energy: -64.202 tors. eta vs tors. theta energy: -55.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2704.085206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.085206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.085206 (E_RNA) where: Base-Base interactions energy: -1926.254 where: short stacking energy: -786.282 Base-Backbone interact. energy: -0.469 local terms energy: -777.362865 where: bonds (distance) C4'-P energy: -135.363 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -163.000 flat angles P-C4'-P energy: -111.267 tors. eta vs tors. theta energy: -239.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2620.741547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.741547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.741547 (E_RNA) where: Base-Base interactions energy: -1861.088 where: short stacking energy: -754.866 Base-Backbone interact. energy: -1.373 local terms energy: -758.281052 where: bonds (distance) C4'-P energy: -131.042 bonds (distance) P-C4' energy: -140.491 flat angles C4'-P-C4' energy: -154.234 flat angles P-C4'-P energy: -105.462 tors. eta vs tors. theta energy: -227.052 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: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2547.859898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.859898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.859898 (E_RNA) where: Base-Base interactions energy: -1808.067 where: short stacking energy: -746.345 Base-Backbone interact. energy: 1.577 local terms energy: -741.370522 where: bonds (distance) C4'-P energy: -119.177 bonds (distance) P-C4' energy: -141.207 flat angles C4'-P-C4' energy: -154.371 flat angles P-C4'-P energy: -101.297 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: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2470.755603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.755603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.755603 (E_RNA) where: Base-Base interactions energy: -1733.033 where: short stacking energy: -732.781 Base-Backbone interact. energy: -1.758 local terms energy: -735.964267 where: bonds (distance) C4'-P energy: -117.911 bonds (distance) P-C4' energy: -137.261 flat angles C4'-P-C4' energy: -149.098 flat angles P-C4'-P energy: -103.734 tors. eta vs tors. theta energy: -227.962 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: 374 Temperature: 1.100000 Total energy: -2440.677514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.677514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.677514 (E_RNA) where: Base-Base interactions energy: -1757.943 where: short stacking energy: -701.387 Base-Backbone interact. energy: -3.760 local terms energy: -678.974584 where: bonds (distance) C4'-P energy: -108.711 bonds (distance) P-C4' energy: -113.340 flat angles C4'-P-C4' energy: -143.873 flat angles P-C4'-P energy: -100.362 tors. eta vs tors. theta energy: -212.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2377.245268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.245268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.245268 (E_RNA) where: Base-Base interactions energy: -1685.311 where: short stacking energy: -690.481 Base-Backbone interact. energy: -2.129 local terms energy: -689.805218 where: bonds (distance) C4'-P energy: -118.052 bonds (distance) P-C4' energy: -121.114 flat angles C4'-P-C4' energy: -142.580 flat angles P-C4'-P energy: -94.984 tors. eta vs tors. theta energy: -213.075 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: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2137.204388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.204388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.204388 (E_RNA) where: Base-Base interactions energy: -1496.948 where: short stacking energy: -632.910 Base-Backbone interact. energy: -2.365 local terms energy: -637.891783 where: bonds (distance) C4'-P energy: -118.484 bonds (distance) P-C4' energy: -97.929 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -191.439 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: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -2019.233909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.233909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.233909 (E_RNA) where: Base-Base interactions energy: -1433.176 where: short stacking energy: -606.585 Base-Backbone interact. energy: -2.986 local terms energy: -583.071772 where: bonds (distance) C4'-P energy: -122.388 bonds (distance) P-C4' energy: -88.155 flat angles C4'-P-C4' energy: -117.018 flat angles P-C4'-P energy: -84.229 tors. eta vs tors. theta energy: -171.281 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: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1610.800973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.800973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.800973 (E_RNA) where: Base-Base interactions energy: -1093.061 where: short stacking energy: -438.565 Base-Backbone interact. energy: -0.412 local terms energy: -517.327978 where: bonds (distance) C4'-P energy: -115.127 bonds (distance) P-C4' energy: -115.571 flat angles C4'-P-C4' energy: -115.631 flat angles P-C4'-P energy: -66.541 tors. eta vs tors. theta energy: -104.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1178.893043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.893043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.893043 (E_RNA) where: Base-Base interactions energy: -722.249 where: short stacking energy: -330.773 Base-Backbone interact. energy: 0.436 local terms energy: -457.079537 where: bonds (distance) C4'-P energy: -119.213 bonds (distance) P-C4' energy: -129.910 flat angles C4'-P-C4' energy: -96.210 flat angles P-C4'-P energy: -53.343 tors. eta vs tors. theta energy: -58.404 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: 375 Temperature: 0.900000 Total energy: -2694.687908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.687908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.687908 (E_RNA) where: Base-Base interactions energy: -1914.827 where: short stacking energy: -790.122 Base-Backbone interact. energy: -2.345 local terms energy: -777.516147 where: bonds (distance) C4'-P energy: -134.836 bonds (distance) P-C4' energy: -131.834 flat angles C4'-P-C4' energy: -160.876 flat angles P-C4'-P energy: -107.774 tors. eta vs tors. theta energy: -242.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2614.792899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.792899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.792899 (E_RNA) where: Base-Base interactions energy: -1881.626 where: short stacking energy: -760.288 Base-Backbone interact. energy: 3.160 local terms energy: -736.327490 where: bonds (distance) C4'-P energy: -107.865 bonds (distance) P-C4' energy: -132.516 flat angles C4'-P-C4' energy: -154.399 flat angles P-C4'-P energy: -111.401 tors. eta vs tors. theta energy: -230.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2548.655973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.655973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.655973 (E_RNA) where: Base-Base interactions energy: -1816.758 where: short stacking energy: -735.530 Base-Backbone interact. energy: 0.169 local terms energy: -732.066778 where: bonds (distance) C4'-P energy: -131.903 bonds (distance) P-C4' energy: -126.668 flat angles C4'-P-C4' energy: -158.287 flat angles P-C4'-P energy: -94.795 tors. eta vs tors. theta energy: -220.413 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: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2497.445157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.445157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.445157 (E_RNA) where: Base-Base interactions energy: -1769.996 where: short stacking energy: -724.635 Base-Backbone interact. energy: 0.490 local terms energy: -727.939994 where: bonds (distance) C4'-P energy: -117.203 bonds (distance) P-C4' energy: -130.267 flat angles C4'-P-C4' energy: -139.874 flat angles P-C4'-P energy: -114.871 tors. eta vs tors. theta energy: -225.724 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: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2417.948466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.948466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.948466 (E_RNA) where: Base-Base interactions energy: -1734.845 where: short stacking energy: -691.442 Base-Backbone interact. energy: -2.276 local terms energy: -680.827239 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -112.455 flat angles C4'-P-C4' energy: -138.779 flat angles P-C4'-P energy: -96.588 tors. eta vs tors. theta energy: -220.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2288.877643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.877643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.877643 (E_RNA) where: Base-Base interactions energy: -1607.756 where: short stacking energy: -666.456 Base-Backbone interact. energy: 1.733 local terms energy: -682.854892 where: bonds (distance) C4'-P energy: -94.187 bonds (distance) P-C4' energy: -133.310 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -90.075 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: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2127.379350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.379350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.379350 (E_RNA) where: Base-Base interactions energy: -1479.195 where: short stacking energy: -627.775 Base-Backbone interact. energy: -1.247 local terms energy: -646.937318 where: bonds (distance) C4'-P energy: -118.172 bonds (distance) P-C4' energy: -106.417 flat angles C4'-P-C4' energy: -136.782 flat angles P-C4'-P energy: -97.680 tors. eta vs tors. theta energy: -187.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -2028.281645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.281645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.281645 (E_RNA) where: Base-Base interactions energy: -1434.737 where: short stacking energy: -584.013 Base-Backbone interact. energy: -2.646 local terms energy: -590.898593 where: bonds (distance) C4'-P energy: -114.288 bonds (distance) P-C4' energy: -111.341 flat angles C4'-P-C4' energy: -114.301 flat angles P-C4'-P energy: -77.177 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: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1623.227088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.227088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.227088 (E_RNA) where: Base-Base interactions energy: -1121.231 where: short stacking energy: -451.457 Base-Backbone interact. energy: 3.505 local terms energy: -505.501490 where: bonds (distance) C4'-P energy: -109.678 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -112.221 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: -106.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1228.325713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.325713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.325713 (E_RNA) where: Base-Base interactions energy: -791.517 where: short stacking energy: -372.227 Base-Backbone interact. energy: -2.736 local terms energy: -434.072747 where: bonds (distance) C4'-P energy: -94.332 bonds (distance) P-C4' energy: -103.675 flat angles C4'-P-C4' energy: -108.394 flat angles P-C4'-P energy: -61.741 tors. eta vs tors. theta energy: -65.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2685.833727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.833727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.833727 (E_RNA) where: Base-Base interactions energy: -1912.747 where: short stacking energy: -786.816 Base-Backbone interact. energy: -1.078 local terms energy: -772.009277 where: bonds (distance) C4'-P energy: -137.986 bonds (distance) P-C4' energy: -136.781 flat angles C4'-P-C4' energy: -153.683 flat angles P-C4'-P energy: -101.761 tors. eta vs tors. theta energy: -241.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2630.551410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.551410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.551410 (E_RNA) where: Base-Base interactions energy: -1865.841 where: short stacking energy: -753.589 Base-Backbone interact. energy: -0.144 local terms energy: -764.566705 where: bonds (distance) C4'-P energy: -130.142 bonds (distance) P-C4' energy: -132.228 flat angles C4'-P-C4' energy: -158.950 flat angles P-C4'-P energy: -106.604 tors. eta vs tors. theta energy: -236.642 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: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2542.703982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.703982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.703982 (E_RNA) where: Base-Base interactions energy: -1808.304 where: short stacking energy: -734.133 Base-Backbone interact. energy: -2.385 local terms energy: -732.014455 where: bonds (distance) C4'-P energy: -113.256 bonds (distance) P-C4' energy: -117.405 flat angles C4'-P-C4' energy: -167.644 flat angles P-C4'-P energy: -104.635 tors. eta vs tors. theta energy: -229.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2502.238163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.238163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.238163 (E_RNA) where: Base-Base interactions energy: -1779.760 where: short stacking energy: -755.437 Base-Backbone interact. energy: 2.300 local terms energy: -724.778500 where: bonds (distance) C4'-P energy: -123.944 bonds (distance) P-C4' energy: -120.869 flat angles C4'-P-C4' energy: -156.457 flat angles P-C4'-P energy: -95.532 tors. eta vs tors. theta energy: -227.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2400.625349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.625349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.625349 (E_RNA) where: Base-Base interactions energy: -1718.567 where: short stacking energy: -682.456 Base-Backbone interact. energy: -1.905 local terms energy: -680.153428 where: bonds (distance) C4'-P energy: -114.478 bonds (distance) P-C4' energy: -122.636 flat angles C4'-P-C4' energy: -146.336 flat angles P-C4'-P energy: -98.207 tors. eta vs tors. theta energy: -198.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2281.806147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.806147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.806147 (E_RNA) where: Base-Base interactions energy: -1619.984 where: short stacking energy: -675.245 Base-Backbone interact. energy: -1.598 local terms energy: -660.224124 where: bonds (distance) C4'-P energy: -103.078 bonds (distance) P-C4' energy: -111.056 flat angles C4'-P-C4' energy: -133.500 flat angles P-C4'-P energy: -96.123 tors. eta vs tors. theta energy: -216.467 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: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2171.498204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.498204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.498204 (E_RNA) where: Base-Base interactions energy: -1521.783 where: short stacking energy: -622.317 Base-Backbone interact. energy: -2.702 local terms energy: -647.012638 where: bonds (distance) C4'-P energy: -116.687 bonds (distance) P-C4' energy: -119.987 flat angles C4'-P-C4' energy: -129.391 flat angles P-C4'-P energy: -94.739 tors. eta vs tors. theta energy: -186.209 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: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2051.000032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.000032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.000032 (E_RNA) where: Base-Base interactions energy: -1456.569 where: short stacking energy: -574.539 Base-Backbone interact. energy: 0.062 local terms energy: -594.493395 where: bonds (distance) C4'-P energy: -109.123 bonds (distance) P-C4' energy: -107.967 flat angles C4'-P-C4' energy: -133.328 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: -172.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1686.770427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.770427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.770427 (E_RNA) where: Base-Base interactions energy: -1136.259 where: short stacking energy: -486.873 Base-Backbone interact. energy: 1.765 local terms energy: -552.276405 where: bonds (distance) C4'-P energy: -117.308 bonds (distance) P-C4' energy: -117.094 flat angles C4'-P-C4' energy: -120.397 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: -123.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1096.424362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.424362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.424362 (E_RNA) where: Base-Base interactions energy: -686.480 where: short stacking energy: -344.885 Base-Backbone interact. energy: 0.619 local terms energy: -410.563095 where: bonds (distance) C4'-P energy: -75.669 bonds (distance) P-C4' energy: -108.574 flat angles C4'-P-C4' energy: -108.647 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -68.536 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: 377 Temperature: 0.900000 Total energy: -2699.121136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.121136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.121136 (E_RNA) where: Base-Base interactions energy: -1901.962 where: short stacking energy: -775.270 Base-Backbone interact. energy: -1.957 local terms energy: -795.202171 where: bonds (distance) C4'-P energy: -140.900 bonds (distance) P-C4' energy: -139.419 flat angles C4'-P-C4' energy: -160.259 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -245.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2627.052083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.052083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.052083 (E_RNA) where: Base-Base interactions energy: -1867.010 where: short stacking energy: -755.514 Base-Backbone interact. energy: -1.516 local terms energy: -758.526569 where: bonds (distance) C4'-P energy: -130.137 bonds (distance) P-C4' energy: -126.290 flat angles C4'-P-C4' energy: -159.852 flat angles P-C4'-P energy: -106.030 tors. eta vs tors. theta energy: -236.217 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: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2534.486324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.486324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.486324 (E_RNA) where: Base-Base interactions energy: -1787.887 where: short stacking energy: -713.854 Base-Backbone interact. energy: -1.674 local terms energy: -744.924949 where: bonds (distance) C4'-P energy: -132.234 bonds (distance) P-C4' energy: -137.415 flat angles C4'-P-C4' energy: -155.736 flat angles P-C4'-P energy: -105.515 tors. eta vs tors. theta energy: -214.025 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: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2483.831180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.831180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.831180 (E_RNA) where: Base-Base interactions energy: -1752.188 where: short stacking energy: -735.599 Base-Backbone interact. energy: -0.265 local terms energy: -731.377430 where: bonds (distance) C4'-P energy: -111.823 bonds (distance) P-C4' energy: -128.089 flat angles C4'-P-C4' energy: -154.108 flat angles P-C4'-P energy: -106.770 tors. eta vs tors. theta energy: -230.588 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: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2444.290010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.290010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.290010 (E_RNA) where: Base-Base interactions energy: -1743.219 where: short stacking energy: -715.066 Base-Backbone interact. energy: -2.810 local terms energy: -698.260327 where: bonds (distance) C4'-P energy: -109.547 bonds (distance) P-C4' energy: -122.503 flat angles C4'-P-C4' energy: -154.372 flat angles P-C4'-P energy: -95.189 tors. eta vs tors. theta energy: -216.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2273.383171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.383171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.383171 (E_RNA) where: Base-Base interactions energy: -1590.775 where: short stacking energy: -645.598 Base-Backbone interact. energy: -0.156 local terms energy: -682.451984 where: bonds (distance) C4'-P energy: -128.564 bonds (distance) P-C4' energy: -116.937 flat angles C4'-P-C4' energy: -138.573 flat angles P-C4'-P energy: -94.035 tors. eta vs tors. theta energy: -204.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2166.979847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.979847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.979847 (E_RNA) where: Base-Base interactions energy: -1524.229 where: short stacking energy: -644.679 Base-Backbone interact. energy: -0.767 local terms energy: -641.983826 where: bonds (distance) C4'-P energy: -119.769 bonds (distance) P-C4' energy: -114.434 flat angles C4'-P-C4' energy: -127.555 flat angles P-C4'-P energy: -90.754 tors. eta vs tors. theta energy: -189.471 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: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2086.441509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.441509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.441509 (E_RNA) where: Base-Base interactions energy: -1478.378 where: short stacking energy: -610.002 Base-Backbone interact. energy: -0.646 local terms energy: -607.416818 where: bonds (distance) C4'-P energy: -98.111 bonds (distance) P-C4' energy: -98.667 flat angles C4'-P-C4' energy: -144.073 flat angles P-C4'-P energy: -86.791 tors. eta vs tors. theta energy: -179.774 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: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1616.847786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.847786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.847786 (E_RNA) where: Base-Base interactions energy: -1100.978 where: short stacking energy: -456.878 Base-Backbone interact. energy: -1.930 local terms energy: -513.940209 where: bonds (distance) C4'-P energy: -120.576 bonds (distance) P-C4' energy: -93.617 flat angles C4'-P-C4' energy: -117.088 flat angles P-C4'-P energy: -78.449 tors. eta vs tors. theta energy: -104.210 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: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1127.932495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.932495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.932495 (E_RNA) where: Base-Base interactions energy: -697.430 where: short stacking energy: -305.124 Base-Backbone interact. energy: -1.563 local terms energy: -428.939824 where: bonds (distance) C4'-P energy: -91.851 bonds (distance) P-C4' energy: -111.330 flat angles C4'-P-C4' energy: -105.719 flat angles P-C4'-P energy: -55.658 tors. eta vs tors. theta energy: -64.382 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: 378 Temperature: 0.900000 Total energy: -2701.710455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.710455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.710455 (E_RNA) where: Base-Base interactions energy: -1915.208 where: short stacking energy: -775.066 Base-Backbone interact. energy: -1.621 local terms energy: -784.881688 where: bonds (distance) C4'-P energy: -125.805 bonds (distance) P-C4' energy: -142.319 flat angles C4'-P-C4' energy: -156.960 flat angles P-C4'-P energy: -113.639 tors. eta vs tors. theta energy: -246.159 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: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2632.077982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.077982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.077982 (E_RNA) where: Base-Base interactions energy: -1860.454 where: short stacking energy: -761.845 Base-Backbone interact. energy: -1.997 local terms energy: -769.626342 where: bonds (distance) C4'-P energy: -136.164 bonds (distance) P-C4' energy: -135.736 flat angles C4'-P-C4' energy: -155.836 flat angles P-C4'-P energy: -106.665 tors. eta vs tors. theta energy: -235.225 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: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2542.863246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.863246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.863246 (E_RNA) where: Base-Base interactions energy: -1801.975 where: short stacking energy: -748.090 Base-Backbone interact. energy: 0.136 local terms energy: -741.024281 where: bonds (distance) C4'-P energy: -127.478 bonds (distance) P-C4' energy: -129.975 flat angles C4'-P-C4' energy: -156.382 flat angles P-C4'-P energy: -103.565 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: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2472.437840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.437840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.437840 (E_RNA) where: Base-Base interactions energy: -1745.027 where: short stacking energy: -710.427 Base-Backbone interact. energy: -1.094 local terms energy: -726.317081 where: bonds (distance) C4'-P energy: -128.719 bonds (distance) P-C4' energy: -115.622 flat angles C4'-P-C4' energy: -146.675 flat angles P-C4'-P energy: -107.794 tors. eta vs tors. theta energy: -227.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2453.206865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.206865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.206865 (E_RNA) where: Base-Base interactions energy: -1765.295 where: short stacking energy: -699.023 Base-Backbone interact. energy: -1.318 local terms energy: -686.593859 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -119.091 flat angles C4'-P-C4' energy: -150.491 flat angles P-C4'-P energy: -96.988 tors. eta vs tors. theta energy: -208.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2292.538243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.538243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.538243 (E_RNA) where: Base-Base interactions energy: -1621.732 where: short stacking energy: -666.481 Base-Backbone interact. energy: -2.959 local terms energy: -667.847145 where: bonds (distance) C4'-P energy: -106.713 bonds (distance) P-C4' energy: -124.092 flat angles C4'-P-C4' energy: -143.548 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -213.859 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: 378 Temperature: 1.200000 Total energy: -2164.144881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.144881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.144881 (E_RNA) where: Base-Base interactions energy: -1529.987 where: short stacking energy: -630.208 Base-Backbone interact. energy: -2.751 local terms energy: -631.406359 where: bonds (distance) C4'-P energy: -117.720 bonds (distance) P-C4' energy: -109.336 flat angles C4'-P-C4' energy: -126.804 flat angles P-C4'-P energy: -82.369 tors. eta vs tors. theta energy: -195.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1981.535378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.535378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.535378 (E_RNA) where: Base-Base interactions energy: -1398.685 where: short stacking energy: -578.767 Base-Backbone interact. energy: -1.970 local terms energy: -580.879991 where: bonds (distance) C4'-P energy: -111.267 bonds (distance) P-C4' energy: -103.778 flat angles C4'-P-C4' energy: -121.510 flat angles P-C4'-P energy: -66.014 tors. eta vs tors. theta energy: -178.311 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: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1650.720788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.720788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.720788 (E_RNA) where: Base-Base interactions energy: -1123.177 where: short stacking energy: -465.424 Base-Backbone interact. energy: -0.374 local terms energy: -527.169320 where: bonds (distance) C4'-P energy: -112.625 bonds (distance) P-C4' energy: -108.155 flat angles C4'-P-C4' energy: -127.615 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -104.142 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: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1089.032341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.032341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.032341 (E_RNA) where: Base-Base interactions energy: -664.823 where: short stacking energy: -296.307 Base-Backbone interact. energy: -0.423 local terms energy: -423.785930 where: bonds (distance) C4'-P energy: -98.246 bonds (distance) P-C4' energy: -106.903 flat angles C4'-P-C4' energy: -117.800 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: -54.637 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: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2708.147753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.147753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.147753 (E_RNA) where: Base-Base interactions energy: -1938.633 where: short stacking energy: -781.198 Base-Backbone interact. energy: -1.259 local terms energy: -768.255391 where: bonds (distance) C4'-P energy: -128.605 bonds (distance) P-C4' energy: -138.079 flat angles C4'-P-C4' energy: -156.587 flat angles P-C4'-P energy: -102.540 tors. eta vs tors. theta energy: -242.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2634.063652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.063652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.063652 (E_RNA) where: Base-Base interactions energy: -1908.582 where: short stacking energy: -783.796 Base-Backbone interact. energy: -1.525 local terms energy: -723.956864 where: bonds (distance) C4'-P energy: -117.364 bonds (distance) P-C4' energy: -115.355 flat angles C4'-P-C4' energy: -162.446 flat angles P-C4'-P energy: -102.181 tors. eta vs tors. theta energy: -226.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2543.673432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.673432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.673432 (E_RNA) where: Base-Base interactions energy: -1819.932 where: short stacking energy: -734.709 Base-Backbone interact. energy: -2.069 local terms energy: -721.672057 where: bonds (distance) C4'-P energy: -111.661 bonds (distance) P-C4' energy: -129.272 flat angles C4'-P-C4' energy: -157.897 flat angles P-C4'-P energy: -106.860 tors. eta vs tors. theta energy: -215.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2495.469755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.469755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.469755 (E_RNA) where: Base-Base interactions energy: -1772.460 where: short stacking energy: -728.954 Base-Backbone interact. energy: -1.253 local terms energy: -721.756311 where: bonds (distance) C4'-P energy: -116.117 bonds (distance) P-C4' energy: -130.886 flat angles C4'-P-C4' energy: -153.430 flat angles P-C4'-P energy: -96.740 tors. eta vs tors. theta energy: -224.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2426.174627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.174627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.174627 (E_RNA) where: Base-Base interactions energy: -1746.238 where: short stacking energy: -708.365 Base-Backbone interact. energy: 0.290 local terms energy: -680.226741 where: bonds (distance) C4'-P energy: -126.769 bonds (distance) P-C4' energy: -110.641 flat angles C4'-P-C4' energy: -139.680 flat angles P-C4'-P energy: -95.933 tors. eta vs tors. theta energy: -207.203 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: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2308.140846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.140846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.140846 (E_RNA) where: Base-Base interactions energy: -1649.362 where: short stacking energy: -704.574 Base-Backbone interact. energy: -1.645 local terms energy: -657.133466 where: bonds (distance) C4'-P energy: -102.127 bonds (distance) P-C4' energy: -113.358 flat angles C4'-P-C4' energy: -144.455 flat angles P-C4'-P energy: -78.231 tors. eta vs tors. theta energy: -218.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2195.751559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.751559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.751559 (E_RNA) where: Base-Base interactions energy: -1548.372 where: short stacking energy: -665.058 Base-Backbone interact. energy: -2.676 local terms energy: -644.704137 where: bonds (distance) C4'-P energy: -101.334 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -140.959 flat angles P-C4'-P energy: -85.367 tors. eta vs tors. theta energy: -205.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2047.358178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.358178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.358178 (E_RNA) where: Base-Base interactions energy: -1449.378 where: short stacking energy: -596.107 Base-Backbone interact. energy: 1.388 local terms energy: -599.368015 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -115.019 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -85.711 tors. eta vs tors. theta energy: -171.723 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: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1677.872386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.872386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.872386 (E_RNA) where: Base-Base interactions energy: -1141.878 where: short stacking energy: -463.201 Base-Backbone interact. energy: 0.556 local terms energy: -536.550173 where: bonds (distance) C4'-P energy: -105.156 bonds (distance) P-C4' energy: -98.229 flat angles C4'-P-C4' energy: -133.263 flat angles P-C4'-P energy: -72.971 tors. eta vs tors. theta energy: -126.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1085.717069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.717069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.717069 (E_RNA) where: Base-Base interactions energy: -672.806 where: short stacking energy: -312.891 Base-Backbone interact. energy: 0.034 local terms energy: -412.945375 where: bonds (distance) C4'-P energy: -99.665 bonds (distance) P-C4' energy: -96.738 flat angles C4'-P-C4' energy: -111.191 flat angles P-C4'-P energy: -62.091 tors. eta vs tors. theta energy: -43.260 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2713.397527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.397527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.397527 (E_RNA) where: Base-Base interactions energy: -1941.262 where: short stacking energy: -779.130 Base-Backbone interact. energy: -3.301 local terms energy: -768.834112 where: bonds (distance) C4'-P energy: -129.709 bonds (distance) P-C4' energy: -139.913 flat angles C4'-P-C4' energy: -147.797 flat angles P-C4'-P energy: -107.437 tors. eta vs tors. theta energy: -243.978 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: 380 Temperature: 0.950000 Total energy: -2631.179855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.179855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.179855 (E_RNA) where: Base-Base interactions energy: -1854.818 where: short stacking energy: -758.624 Base-Backbone interact. energy: -3.123 local terms energy: -773.238845 where: bonds (distance) C4'-P energy: -140.546 bonds (distance) P-C4' energy: -136.606 flat angles C4'-P-C4' energy: -154.299 flat angles P-C4'-P energy: -110.361 tors. eta vs tors. theta energy: -231.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2549.409957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.409957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.409957 (E_RNA) where: Base-Base interactions energy: -1837.573 where: short stacking energy: -724.693 Base-Backbone interact. energy: 1.558 local terms energy: -713.395014 where: bonds (distance) C4'-P energy: -126.660 bonds (distance) P-C4' energy: -114.928 flat angles C4'-P-C4' energy: -160.916 flat angles P-C4'-P energy: -95.356 tors. eta vs tors. theta energy: -215.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2470.545704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.545704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.545704 (E_RNA) where: Base-Base interactions energy: -1743.229 where: short stacking energy: -732.063 Base-Backbone interact. energy: 3.587 local terms energy: -730.902906 where: bonds (distance) C4'-P energy: -126.311 bonds (distance) P-C4' energy: -131.540 flat angles C4'-P-C4' energy: -147.640 flat angles P-C4'-P energy: -100.994 tors. eta vs tors. theta energy: -224.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2429.031364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.031364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.031364 (E_RNA) where: Base-Base interactions energy: -1731.120 where: short stacking energy: -661.007 Base-Backbone interact. energy: -1.641 local terms energy: -696.270164 where: bonds (distance) C4'-P energy: -112.300 bonds (distance) P-C4' energy: -133.153 flat angles C4'-P-C4' energy: -139.291 flat angles P-C4'-P energy: -105.739 tors. eta vs tors. theta energy: -205.787 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: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2275.422106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.422106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.422106 (E_RNA) where: Base-Base interactions energy: -1621.808 where: short stacking energy: -670.857 Base-Backbone interact. energy: -2.323 local terms energy: -651.290496 where: bonds (distance) C4'-P energy: -110.614 bonds (distance) P-C4' energy: -124.383 flat angles C4'-P-C4' energy: -136.503 flat angles P-C4'-P energy: -76.982 tors. eta vs tors. theta energy: -202.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2169.893273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.893273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.893273 (E_RNA) where: Base-Base interactions energy: -1568.111 where: short stacking energy: -641.353 Base-Backbone interact. energy: -0.699 local terms energy: -601.083069 where: bonds (distance) C4'-P energy: -97.154 bonds (distance) P-C4' energy: -114.516 flat angles C4'-P-C4' energy: -113.703 flat angles P-C4'-P energy: -75.758 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: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2021.535682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.535682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.535682 (E_RNA) where: Base-Base interactions energy: -1406.164 where: short stacking energy: -585.929 Base-Backbone interact. energy: -3.682 local terms energy: -611.689805 where: bonds (distance) C4'-P energy: -130.810 bonds (distance) P-C4' energy: -93.045 flat angles C4'-P-C4' energy: -135.418 flat angles P-C4'-P energy: -81.813 tors. eta vs tors. theta energy: -170.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1732.347670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.347670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.347670 (E_RNA) where: Base-Base interactions energy: -1190.107 where: short stacking energy: -487.276 Base-Backbone interact. energy: -3.527 local terms energy: -538.713045 where: bonds (distance) C4'-P energy: -111.693 bonds (distance) P-C4' energy: -117.850 flat angles C4'-P-C4' energy: -111.548 flat angles P-C4'-P energy: -71.020 tors. eta vs tors. theta energy: -126.602 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: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1135.083684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.083684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.083684 (E_RNA) where: Base-Base interactions energy: -685.362 where: short stacking energy: -323.491 Base-Backbone interact. energy: 1.394 local terms energy: -451.115763 where: bonds (distance) C4'-P energy: -94.053 bonds (distance) P-C4' energy: -114.375 flat angles C4'-P-C4' energy: -109.940 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: -59.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2687.672656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.672656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.672656 (E_RNA) where: Base-Base interactions energy: -1892.970 where: short stacking energy: -775.350 Base-Backbone interact. energy: -2.796 local terms energy: -791.906015 where: bonds (distance) C4'-P energy: -123.943 bonds (distance) P-C4' energy: -149.239 flat angles C4'-P-C4' energy: -163.755 flat angles P-C4'-P energy: -116.182 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: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2616.672523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.672523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.672523 (E_RNA) where: Base-Base interactions energy: -1837.472 where: short stacking energy: -752.909 Base-Backbone interact. energy: -1.214 local terms energy: -777.986755 where: bonds (distance) C4'-P energy: -132.324 bonds (distance) P-C4' energy: -137.659 flat angles C4'-P-C4' energy: -158.164 flat angles P-C4'-P energy: -116.302 tors. eta vs tors. theta energy: -233.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2555.503642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.503642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.503642 (E_RNA) where: Base-Base interactions energy: -1834.456 where: short stacking energy: -735.153 Base-Backbone interact. energy: 0.345 local terms energy: -721.392052 where: bonds (distance) C4'-P energy: -139.540 bonds (distance) P-C4' energy: -124.989 flat angles C4'-P-C4' energy: -154.741 flat angles P-C4'-P energy: -89.772 tors. eta vs tors. theta energy: -212.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2483.845317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.845317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.845317 (E_RNA) where: Base-Base interactions energy: -1767.561 where: short stacking energy: -690.683 Base-Backbone interact. energy: -1.123 local terms energy: -715.160590 where: bonds (distance) C4'-P energy: -119.012 bonds (distance) P-C4' energy: -110.484 flat angles C4'-P-C4' energy: -154.183 flat angles P-C4'-P energy: -109.510 tors. eta vs tors. theta energy: -221.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2423.449293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.449293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.449293 (E_RNA) where: Base-Base interactions energy: -1718.208 where: short stacking energy: -684.578 Base-Backbone interact. energy: -1.401 local terms energy: -703.839764 where: bonds (distance) C4'-P energy: -106.451 bonds (distance) P-C4' energy: -124.728 flat angles C4'-P-C4' energy: -147.123 flat angles P-C4'-P energy: -110.031 tors. eta vs tors. theta energy: -215.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2280.411624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.411624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.411624 (E_RNA) where: Base-Base interactions energy: -1609.724 where: short stacking energy: -670.160 Base-Backbone interact. energy: -1.816 local terms energy: -668.871622 where: bonds (distance) C4'-P energy: -118.456 bonds (distance) P-C4' energy: -107.043 flat angles C4'-P-C4' energy: -145.874 flat angles P-C4'-P energy: -88.205 tors. eta vs tors. theta energy: -209.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2177.633829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.633829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.633829 (E_RNA) where: Base-Base interactions energy: -1523.007 where: short stacking energy: -626.105 Base-Backbone interact. energy: -0.720 local terms energy: -653.906606 where: bonds (distance) C4'-P energy: -118.229 bonds (distance) P-C4' energy: -117.178 flat angles C4'-P-C4' energy: -141.596 flat angles P-C4'-P energy: -92.548 tors. eta vs tors. theta energy: -184.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2007.832193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.832193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.832193 (E_RNA) where: Base-Base interactions energy: -1412.605 where: short stacking energy: -564.532 Base-Backbone interact. energy: 1.329 local terms energy: -596.555839 where: bonds (distance) C4'-P energy: -98.112 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -136.065 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -168.122 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: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1713.426349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.426349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.426349 (E_RNA) where: Base-Base interactions energy: -1217.395 where: short stacking energy: -480.557 Base-Backbone interact. energy: -1.228 local terms energy: -494.803185 where: bonds (distance) C4'-P energy: -100.605 bonds (distance) P-C4' energy: -96.809 flat angles C4'-P-C4' energy: -114.871 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: -111.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1100.126023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.126023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.126023 (E_RNA) where: Base-Base interactions energy: -686.972 where: short stacking energy: -304.652 Base-Backbone interact. energy: -2.055 local terms energy: -411.098881 where: bonds (distance) C4'-P energy: -93.677 bonds (distance) P-C4' energy: -130.691 flat angles C4'-P-C4' energy: -97.562 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -36.395 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: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2709.121849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.121849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.121849 (E_RNA) where: Base-Base interactions energy: -1917.737 where: short stacking energy: -789.094 Base-Backbone interact. energy: -0.629 local terms energy: -790.756012 where: bonds (distance) C4'-P energy: -135.257 bonds (distance) P-C4' energy: -132.549 flat angles C4'-P-C4' energy: -150.532 flat angles P-C4'-P energy: -123.634 tors. eta vs tors. theta energy: -248.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2602.769032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.769032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.769032 (E_RNA) where: Base-Base interactions energy: -1841.708 where: short stacking energy: -762.180 Base-Backbone interact. energy: -1.406 local terms energy: -759.654586 where: bonds (distance) C4'-P energy: -136.443 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -162.319 flat angles P-C4'-P energy: -100.444 tors. eta vs tors. theta energy: -231.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2542.721602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.721602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.721602 (E_RNA) where: Base-Base interactions energy: -1809.621 where: short stacking energy: -739.327 Base-Backbone interact. energy: -1.857 local terms energy: -731.243935 where: bonds (distance) C4'-P energy: -127.371 bonds (distance) P-C4' energy: -122.391 flat angles C4'-P-C4' energy: -153.839 flat angles P-C4'-P energy: -109.113 tors. eta vs tors. theta energy: -218.530 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: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2508.881462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.881462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.881462 (E_RNA) where: Base-Base interactions energy: -1801.252 where: short stacking energy: -721.958 Base-Backbone interact. energy: -1.354 local terms energy: -706.275704 where: bonds (distance) C4'-P energy: -113.644 bonds (distance) P-C4' energy: -134.219 flat angles C4'-P-C4' energy: -143.157 flat angles P-C4'-P energy: -103.174 tors. eta vs tors. theta energy: -212.083 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: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2411.950926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.950926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.950926 (E_RNA) where: Base-Base interactions energy: -1715.452 where: short stacking energy: -697.853 Base-Backbone interact. energy: -2.781 local terms energy: -693.718042 where: bonds (distance) C4'-P energy: -100.289 bonds (distance) P-C4' energy: -117.860 flat angles C4'-P-C4' energy: -158.784 flat angles P-C4'-P energy: -100.952 tors. eta vs tors. theta energy: -215.833 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: 382 Temperature: 1.150000 Total energy: -2253.877458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.877458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.877458 (E_RNA) where: Base-Base interactions energy: -1612.033 where: short stacking energy: -668.344 Base-Backbone interact. energy: -2.178 local terms energy: -639.666451 where: bonds (distance) C4'-P energy: -113.797 bonds (distance) P-C4' energy: -114.456 flat angles C4'-P-C4' energy: -127.277 flat angles P-C4'-P energy: -88.499 tors. eta vs tors. theta energy: -195.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2201.993394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.993394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.993394 (E_RNA) where: Base-Base interactions energy: -1574.334 where: short stacking energy: -623.391 Base-Backbone interact. energy: 1.482 local terms energy: -629.141850 where: bonds (distance) C4'-P energy: -109.984 bonds (distance) P-C4' energy: -107.945 flat angles C4'-P-C4' energy: -131.557 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: -188.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1992.060434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.060434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.060434 (E_RNA) where: Base-Base interactions energy: -1414.977 where: short stacking energy: -586.748 Base-Backbone interact. energy: -0.627 local terms energy: -576.456185 where: bonds (distance) C4'-P energy: -100.757 bonds (distance) P-C4' energy: -98.451 flat angles C4'-P-C4' energy: -129.253 flat angles P-C4'-P energy: -76.594 tors. eta vs tors. theta energy: -171.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1683.187960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.187960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.187960 (E_RNA) where: Base-Base interactions energy: -1174.891 where: short stacking energy: -482.453 Base-Backbone interact. energy: 4.651 local terms energy: -512.947447 where: bonds (distance) C4'-P energy: -88.516 bonds (distance) P-C4' energy: -102.818 flat angles C4'-P-C4' energy: -129.838 flat angles P-C4'-P energy: -66.299 tors. eta vs tors. theta energy: -125.477 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: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1036.060795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.060795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.060795 (E_RNA) where: Base-Base interactions energy: -587.814 where: short stacking energy: -285.081 Base-Backbone interact. energy: -2.209 local terms energy: -446.037753 where: bonds (distance) C4'-P energy: -112.753 bonds (distance) P-C4' energy: -115.793 flat angles C4'-P-C4' energy: -125.631 flat angles P-C4'-P energy: -64.632 tors. eta vs tors. theta energy: -27.228 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: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2710.598240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.598240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.598240 (E_RNA) where: Base-Base interactions energy: -1908.715 where: short stacking energy: -777.015 Base-Backbone interact. energy: -1.577 local terms energy: -800.305839 where: bonds (distance) C4'-P energy: -142.737 bonds (distance) P-C4' energy: -146.064 flat angles C4'-P-C4' energy: -153.093 flat angles P-C4'-P energy: -113.845 tors. eta vs tors. theta energy: -244.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2613.582000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.582000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.582000 (E_RNA) where: Base-Base interactions energy: -1866.265 where: short stacking energy: -769.981 Base-Backbone interact. energy: -3.450 local terms energy: -743.866507 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -123.360 flat angles C4'-P-C4' energy: -157.137 flat angles P-C4'-P energy: -102.451 tors. eta vs tors. theta energy: -233.725 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: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2560.457033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.457033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.457033 (E_RNA) where: Base-Base interactions energy: -1822.227 where: short stacking energy: -740.630 Base-Backbone interact. energy: -3.583 local terms energy: -734.647065 where: bonds (distance) C4'-P energy: -120.045 bonds (distance) P-C4' energy: -133.350 flat angles C4'-P-C4' energy: -153.453 flat angles P-C4'-P energy: -104.556 tors. eta vs tors. theta energy: -223.242 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: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2516.754448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.754448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.754448 (E_RNA) where: Base-Base interactions energy: -1795.910 where: short stacking energy: -711.959 Base-Backbone interact. energy: -2.097 local terms energy: -718.747431 where: bonds (distance) C4'-P energy: -117.549 bonds (distance) P-C4' energy: -123.446 flat angles C4'-P-C4' energy: -157.842 flat angles P-C4'-P energy: -101.177 tors. eta vs tors. theta energy: -218.732 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: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2406.357158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.357158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.357158 (E_RNA) where: Base-Base interactions energy: -1713.145 where: short stacking energy: -734.177 Base-Backbone interact. energy: 1.164 local terms energy: -694.376701 where: bonds (distance) C4'-P energy: -105.129 bonds (distance) P-C4' energy: -128.031 flat angles C4'-P-C4' energy: -149.363 flat angles P-C4'-P energy: -83.994 tors. eta vs tors. theta energy: -227.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2277.667780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.667780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.667780 (E_RNA) where: Base-Base interactions energy: -1615.399 where: short stacking energy: -653.295 Base-Backbone interact. energy: 1.893 local terms energy: -664.162680 where: bonds (distance) C4'-P energy: -117.847 bonds (distance) P-C4' energy: -106.562 flat angles C4'-P-C4' energy: -143.100 flat angles P-C4'-P energy: -86.836 tors. eta vs tors. theta energy: -209.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2145.395844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.395844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.395844 (E_RNA) where: Base-Base interactions energy: -1512.463 where: short stacking energy: -625.557 Base-Backbone interact. energy: -1.327 local terms energy: -631.605577 where: bonds (distance) C4'-P energy: -116.971 bonds (distance) P-C4' energy: -116.135 flat angles C4'-P-C4' energy: -127.792 flat angles P-C4'-P energy: -82.184 tors. eta vs tors. theta energy: -188.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1971.709111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.709111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.709111 (E_RNA) where: Base-Base interactions energy: -1374.069 where: short stacking energy: -574.913 Base-Backbone interact. energy: -0.266 local terms energy: -597.374143 where: bonds (distance) C4'-P energy: -106.601 bonds (distance) P-C4' energy: -121.391 flat angles C4'-P-C4' energy: -130.522 flat angles P-C4'-P energy: -75.631 tors. eta vs tors. theta energy: -163.231 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: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1644.251145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.251145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.251145 (E_RNA) where: Base-Base interactions energy: -1170.033 where: short stacking energy: -448.933 Base-Backbone interact. energy: 7.941 local terms energy: -482.158659 where: bonds (distance) C4'-P energy: -71.949 bonds (distance) P-C4' energy: -114.977 flat angles C4'-P-C4' energy: -119.818 flat angles P-C4'-P energy: -66.611 tors. eta vs tors. theta energy: -108.802 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: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1040.080759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.080759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.080759 (E_RNA) where: Base-Base interactions energy: -613.886 where: short stacking energy: -293.706 Base-Backbone interact. energy: -2.669 local terms energy: -423.526219 where: bonds (distance) C4'-P energy: -106.278 bonds (distance) P-C4' energy: -126.170 flat angles C4'-P-C4' energy: -95.685 flat angles P-C4'-P energy: -62.698 tors. eta vs tors. theta energy: -32.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2658.746402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.746402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.746402 (E_RNA) where: Base-Base interactions energy: -1872.450 where: short stacking energy: -760.675 Base-Backbone interact. energy: -3.256 local terms energy: -783.040987 where: bonds (distance) C4'-P energy: -135.652 bonds (distance) P-C4' energy: -139.874 flat angles C4'-P-C4' energy: -159.591 flat angles P-C4'-P energy: -117.274 tors. eta vs tors. theta energy: -230.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2667.713557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.713557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.713557 (E_RNA) where: Base-Base interactions energy: -1898.193 where: short stacking energy: -781.093 Base-Backbone interact. energy: -0.735 local terms energy: -768.786364 where: bonds (distance) C4'-P energy: -126.935 bonds (distance) P-C4' energy: -125.756 flat angles C4'-P-C4' energy: -165.605 flat angles P-C4'-P energy: -112.877 tors. eta vs tors. theta energy: -237.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2559.710920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.710920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.710920 (E_RNA) where: Base-Base interactions energy: -1836.343 where: short stacking energy: -723.576 Base-Backbone interact. energy: -3.937 local terms energy: -719.431061 where: bonds (distance) C4'-P energy: -129.357 bonds (distance) P-C4' energy: -124.152 flat angles C4'-P-C4' energy: -152.393 flat angles P-C4'-P energy: -92.391 tors. eta vs tors. theta energy: -221.138 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: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2500.511689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.511689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.511689 (E_RNA) where: Base-Base interactions energy: -1768.088 where: short stacking energy: -719.246 Base-Backbone interact. energy: -0.392 local terms energy: -732.032141 where: bonds (distance) C4'-P energy: -122.701 bonds (distance) P-C4' energy: -134.391 flat angles C4'-P-C4' energy: -153.662 flat angles P-C4'-P energy: -103.866 tors. eta vs tors. theta energy: -217.412 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: 384 Temperature: 1.100000 Total energy: -2430.161006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.161006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.161006 (E_RNA) where: Base-Base interactions energy: -1769.612 where: short stacking energy: -741.478 Base-Backbone interact. energy: -1.965 local terms energy: -658.583405 where: bonds (distance) C4'-P energy: -98.488 bonds (distance) P-C4' energy: -115.850 flat angles C4'-P-C4' energy: -144.496 flat angles P-C4'-P energy: -80.035 tors. eta vs tors. theta energy: -219.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2277.654275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.654275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.654275 (E_RNA) where: Base-Base interactions energy: -1597.330 where: short stacking energy: -662.065 Base-Backbone interact. energy: 2.292 local terms energy: -682.616445 where: bonds (distance) C4'-P energy: -122.314 bonds (distance) P-C4' energy: -117.506 flat angles C4'-P-C4' energy: -150.717 flat angles P-C4'-P energy: -89.534 tors. eta vs tors. theta energy: -202.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2130.577865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.577865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.577865 (E_RNA) where: Base-Base interactions energy: -1500.458 where: short stacking energy: -618.048 Base-Backbone interact. energy: -2.870 local terms energy: -627.249602 where: bonds (distance) C4'-P energy: -104.901 bonds (distance) P-C4' energy: -95.571 flat angles C4'-P-C4' energy: -146.189 flat angles P-C4'-P energy: -98.354 tors. eta vs tors. theta energy: -182.234 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: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1949.392725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.392725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.392725 (E_RNA) where: Base-Base interactions energy: -1377.158 where: short stacking energy: -576.785 Base-Backbone interact. energy: 6.229 local terms energy: -578.464006 where: bonds (distance) C4'-P energy: -106.193 bonds (distance) P-C4' energy: -107.686 flat angles C4'-P-C4' energy: -118.184 flat angles P-C4'-P energy: -89.663 tors. eta vs tors. theta energy: -156.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1653.285612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.285612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.285612 (E_RNA) where: Base-Base interactions energy: -1155.781 where: short stacking energy: -460.144 Base-Backbone interact. energy: 1.678 local terms energy: -499.182596 where: bonds (distance) C4'-P energy: -95.487 bonds (distance) P-C4' energy: -121.319 flat angles C4'-P-C4' energy: -104.874 flat angles P-C4'-P energy: -68.891 tors. eta vs tors. theta energy: -108.611 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: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1030.338140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.338140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.338140 (E_RNA) where: Base-Base interactions energy: -610.060 where: short stacking energy: -289.157 Base-Backbone interact. energy: -0.014 local terms energy: -420.264165 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -107.603 flat angles C4'-P-C4' energy: -116.203 flat angles P-C4'-P energy: -61.551 tors. eta vs tors. theta energy: -24.007 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: 385 Temperature: 0.900000 Total energy: -2648.883481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.883481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.883481 (E_RNA) where: Base-Base interactions energy: -1883.374 where: short stacking energy: -773.540 Base-Backbone interact. energy: -1.032 local terms energy: -764.476885 where: bonds (distance) C4'-P energy: -134.208 bonds (distance) P-C4' energy: -135.714 flat angles C4'-P-C4' energy: -157.252 flat angles P-C4'-P energy: -103.649 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: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2602.463198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.463198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.463198 (E_RNA) where: Base-Base interactions energy: -1827.890 where: short stacking energy: -723.333 Base-Backbone interact. energy: -2.261 local terms energy: -772.312215 where: bonds (distance) C4'-P energy: -140.405 bonds (distance) P-C4' energy: -137.000 flat angles C4'-P-C4' energy: -164.254 flat angles P-C4'-P energy: -107.435 tors. eta vs tors. theta energy: -223.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2614.669637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.669637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.669637 (E_RNA) where: Base-Base interactions energy: -1847.424 where: short stacking energy: -779.533 Base-Backbone interact. energy: -1.149 local terms energy: -766.097204 where: bonds (distance) C4'-P energy: -128.945 bonds (distance) P-C4' energy: -127.221 flat angles C4'-P-C4' energy: -162.363 flat angles P-C4'-P energy: -104.789 tors. eta vs tors. theta energy: -242.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2481.244217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.244217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.244217 (E_RNA) where: Base-Base interactions energy: -1758.523 where: short stacking energy: -714.293 Base-Backbone interact. energy: -3.182 local terms energy: -719.538888 where: bonds (distance) C4'-P energy: -112.131 bonds (distance) P-C4' energy: -122.604 flat angles C4'-P-C4' energy: -159.037 flat angles P-C4'-P energy: -102.346 tors. eta vs tors. theta energy: -223.421 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: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2430.985862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.985862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.985862 (E_RNA) where: Base-Base interactions energy: -1735.168 where: short stacking energy: -713.320 Base-Backbone interact. energy: -0.695 local terms energy: -695.122455 where: bonds (distance) C4'-P energy: -106.951 bonds (distance) P-C4' energy: -119.091 flat angles C4'-P-C4' energy: -145.539 flat angles P-C4'-P energy: -102.202 tors. eta vs tors. theta energy: -221.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2305.090147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.090147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.090147 (E_RNA) where: Base-Base interactions energy: -1620.607 where: short stacking energy: -668.475 Base-Backbone interact. energy: 0.480 local terms energy: -684.963120 where: bonds (distance) C4'-P energy: -114.651 bonds (distance) P-C4' energy: -121.693 flat angles C4'-P-C4' energy: -149.476 flat angles P-C4'-P energy: -102.508 tors. eta vs tors. theta energy: -196.634 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: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2204.394682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.394682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.394682 (E_RNA) where: Base-Base interactions energy: -1547.724 where: short stacking energy: -650.770 Base-Backbone interact. energy: -0.828 local terms energy: -655.842208 where: bonds (distance) C4'-P energy: -130.958 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -123.381 flat angles P-C4'-P energy: -101.010 tors. eta vs tors. theta energy: -183.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1929.377015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.377015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.377015 (E_RNA) where: Base-Base interactions energy: -1355.466 where: short stacking energy: -540.484 Base-Backbone interact. energy: -1.213 local terms energy: -572.698075 where: bonds (distance) C4'-P energy: -109.233 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -126.093 flat angles P-C4'-P energy: -77.067 tors. eta vs tors. theta energy: -153.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1674.981142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.981142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.981142 (E_RNA) where: Base-Base interactions energy: -1152.824 where: short stacking energy: -475.507 Base-Backbone interact. energy: -4.425 local terms energy: -517.732786 where: bonds (distance) C4'-P energy: -93.856 bonds (distance) P-C4' energy: -107.787 flat angles C4'-P-C4' energy: -121.967 flat angles P-C4'-P energy: -78.320 tors. eta vs tors. theta energy: -115.804 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: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1044.056203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.056203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.056203 (E_RNA) where: Base-Base interactions energy: -632.911 where: short stacking energy: -292.795 Base-Backbone interact. energy: 5.474 local terms energy: -416.618871 where: bonds (distance) C4'-P energy: -115.874 bonds (distance) P-C4' energy: -107.373 flat angles C4'-P-C4' energy: -87.673 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: -41.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2661.542788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.542788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.542788 (E_RNA) where: Base-Base interactions energy: -1878.411 where: short stacking energy: -774.985 Base-Backbone interact. energy: -0.464 local terms energy: -782.667686 where: bonds (distance) C4'-P energy: -142.922 bonds (distance) P-C4' energy: -131.489 flat angles C4'-P-C4' energy: -159.526 flat angles P-C4'-P energy: -123.842 tors. eta vs tors. theta energy: -224.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2603.832948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.832948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.832948 (E_RNA) where: Base-Base interactions energy: -1849.344 where: short stacking energy: -723.953 Base-Backbone interact. energy: -1.063 local terms energy: -753.425240 where: bonds (distance) C4'-P energy: -127.396 bonds (distance) P-C4' energy: -146.407 flat angles C4'-P-C4' energy: -150.968 flat angles P-C4'-P energy: -108.789 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: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2599.373472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.373472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.373472 (E_RNA) where: Base-Base interactions energy: -1844.288 where: short stacking energy: -751.222 Base-Backbone interact. energy: -1.795 local terms energy: -753.290581 where: bonds (distance) C4'-P energy: -134.778 bonds (distance) P-C4' energy: -126.713 flat angles C4'-P-C4' energy: -145.192 flat angles P-C4'-P energy: -111.103 tors. eta vs tors. theta energy: -235.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2495.220937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.220937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.220937 (E_RNA) where: Base-Base interactions energy: -1775.267 where: short stacking energy: -720.186 Base-Backbone interact. energy: -1.306 local terms energy: -718.647594 where: bonds (distance) C4'-P energy: -120.780 bonds (distance) P-C4' energy: -130.039 flat angles C4'-P-C4' energy: -158.242 flat angles P-C4'-P energy: -95.793 tors. eta vs tors. theta energy: -213.793 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: 5, replica: 2 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2419.998158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.998158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.998158 (E_RNA) where: Base-Base interactions energy: -1691.614 where: short stacking energy: -691.036 Base-Backbone interact. energy: -2.401 local terms energy: -725.983195 where: bonds (distance) C4'-P energy: -131.785 bonds (distance) P-C4' energy: -113.574 flat angles C4'-P-C4' energy: -150.203 flat angles P-C4'-P energy: -106.471 tors. eta vs tors. theta energy: -223.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2306.982204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.982204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.982204 (E_RNA) where: Base-Base interactions energy: -1621.446 where: short stacking energy: -670.069 Base-Backbone interact. energy: -1.173 local terms energy: -684.363562 where: bonds (distance) C4'-P energy: -111.563 bonds (distance) P-C4' energy: -120.728 flat angles C4'-P-C4' energy: -147.532 flat angles P-C4'-P energy: -95.018 tors. eta vs tors. theta energy: -209.523 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: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2180.389576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.389576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.389576 (E_RNA) where: Base-Base interactions energy: -1517.748 where: short stacking energy: -619.341 Base-Backbone interact. energy: -2.310 local terms energy: -660.331286 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -134.319 flat angles C4'-P-C4' energy: -138.783 flat angles P-C4'-P energy: -101.890 tors. eta vs tors. theta energy: -195.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2077.086159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.086159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.086159 (E_RNA) where: Base-Base interactions energy: -1473.111 where: short stacking energy: -603.056 Base-Backbone interact. energy: -2.347 local terms energy: -601.627647 where: bonds (distance) C4'-P energy: -103.577 bonds (distance) P-C4' energy: -97.109 flat angles C4'-P-C4' energy: -130.450 flat angles P-C4'-P energy: -90.144 tors. eta vs tors. theta energy: -180.348 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: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1654.390089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.390089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.390089 (E_RNA) where: Base-Base interactions energy: -1142.304 where: short stacking energy: -450.963 Base-Backbone interact. energy: -2.144 local terms energy: -509.942644 where: bonds (distance) C4'-P energy: -100.364 bonds (distance) P-C4' energy: -111.816 flat angles C4'-P-C4' energy: -119.174 flat angles P-C4'-P energy: -80.016 tors. eta vs tors. theta energy: -98.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1054.308121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.308121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.308121 (E_RNA) where: Base-Base interactions energy: -622.247 where: short stacking energy: -293.836 Base-Backbone interact. energy: -1.133 local terms energy: -430.927613 where: bonds (distance) C4'-P energy: -95.321 bonds (distance) P-C4' energy: -133.219 flat angles C4'-P-C4' energy: -110.635 flat angles P-C4'-P energy: -57.721 tors. eta vs tors. theta energy: -34.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2673.137568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.137568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.137568 (E_RNA) where: Base-Base interactions energy: -1902.520 where: short stacking energy: -798.759 Base-Backbone interact. energy: -2.819 local terms energy: -767.798856 where: bonds (distance) C4'-P energy: -131.558 bonds (distance) P-C4' energy: -135.496 flat angles C4'-P-C4' energy: -155.728 flat angles P-C4'-P energy: -105.784 tors. eta vs tors. theta energy: -239.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2644.087418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.087418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.087418 (E_RNA) where: Base-Base interactions energy: -1875.799 where: short stacking energy: -741.856 Base-Backbone interact. energy: -2.011 local terms energy: -766.277312 where: bonds (distance) C4'-P energy: -134.724 bonds (distance) P-C4' energy: -118.763 flat angles C4'-P-C4' energy: -168.373 flat angles P-C4'-P energy: -117.494 tors. eta vs tors. theta energy: -226.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2628.670518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.670518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.670518 (E_RNA) where: Base-Base interactions energy: -1886.626 where: short stacking energy: -763.112 Base-Backbone interact. energy: -2.294 local terms energy: -739.750688 where: bonds (distance) C4'-P energy: -128.505 bonds (distance) P-C4' energy: -115.956 flat angles C4'-P-C4' energy: -157.384 flat angles P-C4'-P energy: -98.578 tors. eta vs tors. theta energy: -239.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2493.051965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.051965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.051965 (E_RNA) where: Base-Base interactions energy: -1782.986 where: short stacking energy: -717.660 Base-Backbone interact. energy: -2.460 local terms energy: -707.605894 where: bonds (distance) C4'-P energy: -111.230 bonds (distance) P-C4' energy: -142.271 flat angles C4'-P-C4' energy: -145.531 flat angles P-C4'-P energy: -94.026 tors. eta vs tors. theta energy: -214.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2431.827085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.827085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.827085 (E_RNA) where: Base-Base interactions energy: -1745.566 where: short stacking energy: -725.857 Base-Backbone interact. energy: -0.944 local terms energy: -685.316693 where: bonds (distance) C4'-P energy: -119.824 bonds (distance) P-C4' energy: -99.607 flat angles C4'-P-C4' energy: -147.642 flat angles P-C4'-P energy: -92.874 tors. eta vs tors. theta energy: -225.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2302.848450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.848450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.848450 (E_RNA) where: Base-Base interactions energy: -1647.473 where: short stacking energy: -675.524 Base-Backbone interact. energy: 0.972 local terms energy: -656.347218 where: bonds (distance) C4'-P energy: -103.145 bonds (distance) P-C4' energy: -105.530 flat angles C4'-P-C4' energy: -142.187 flat angles P-C4'-P energy: -87.529 tors. eta vs tors. theta energy: -217.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2211.545447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.545447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.545447 (E_RNA) where: Base-Base interactions energy: -1560.453 where: short stacking energy: -651.740 Base-Backbone interact. energy: -1.499 local terms energy: -649.593432 where: bonds (distance) C4'-P energy: -113.394 bonds (distance) P-C4' energy: -96.487 flat angles C4'-P-C4' energy: -140.142 flat angles P-C4'-P energy: -98.577 tors. eta vs tors. theta energy: -200.995 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: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2020.307095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.307095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.307095 (E_RNA) where: Base-Base interactions energy: -1437.437 where: short stacking energy: -587.922 Base-Backbone interact. energy: -0.431 local terms energy: -582.438507 where: bonds (distance) C4'-P energy: -94.982 bonds (distance) P-C4' energy: -117.805 flat angles C4'-P-C4' energy: -127.511 flat angles P-C4'-P energy: -85.929 tors. eta vs tors. theta energy: -156.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1587.197975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.197975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.197975 (E_RNA) where: Base-Base interactions energy: -1085.474 where: short stacking energy: -476.716 Base-Backbone interact. energy: -0.217 local terms energy: -501.507296 where: bonds (distance) C4'-P energy: -115.373 bonds (distance) P-C4' energy: -89.290 flat angles C4'-P-C4' energy: -117.953 flat angles P-C4'-P energy: -74.097 tors. eta vs tors. theta energy: -104.794 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: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1078.288648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.288648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.288648 (E_RNA) where: Base-Base interactions energy: -633.081 where: short stacking energy: -301.916 Base-Backbone interact. energy: 4.577 local terms energy: -449.784710 where: bonds (distance) C4'-P energy: -107.389 bonds (distance) P-C4' energy: -97.593 flat angles C4'-P-C4' energy: -119.600 flat angles P-C4'-P energy: -70.536 tors. eta vs tors. theta energy: -54.667 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: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2664.911661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.911661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.911661 (E_RNA) where: Base-Base interactions energy: -1889.393 where: short stacking energy: -772.289 Base-Backbone interact. energy: -1.742 local terms energy: -773.776730 where: bonds (distance) C4'-P energy: -126.586 bonds (distance) P-C4' energy: -131.657 flat angles C4'-P-C4' energy: -167.116 flat angles P-C4'-P energy: -114.918 tors. eta vs tors. theta energy: -233.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2631.634452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.634452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.634452 (E_RNA) where: Base-Base interactions energy: -1881.369 where: short stacking energy: -746.652 Base-Backbone interact. energy: -1.728 local terms energy: -748.536984 where: bonds (distance) C4'-P energy: -119.355 bonds (distance) P-C4' energy: -146.765 flat angles C4'-P-C4' energy: -149.954 flat angles P-C4'-P energy: -107.357 tors. eta vs tors. theta energy: -225.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2636.435795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.435795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.435795 (E_RNA) where: Base-Base interactions energy: -1879.228 where: short stacking energy: -753.856 Base-Backbone interact. energy: -2.065 local terms energy: -755.142501 where: bonds (distance) C4'-P energy: -121.784 bonds (distance) P-C4' energy: -136.848 flat angles C4'-P-C4' energy: -141.663 flat angles P-C4'-P energy: -110.983 tors. eta vs tors. theta energy: -243.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2527.500621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.500621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.500621 (E_RNA) where: Base-Base interactions energy: -1788.776 where: short stacking energy: -721.775 Base-Backbone interact. energy: -1.901 local terms energy: -736.822826 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -127.815 flat angles C4'-P-C4' energy: -162.316 flat angles P-C4'-P energy: -98.788 tors. eta vs tors. theta energy: -222.716 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: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2353.615530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.615530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.615530 (E_RNA) where: Base-Base interactions energy: -1690.304 where: short stacking energy: -716.016 Base-Backbone interact. energy: 4.117 local terms energy: -667.429017 where: bonds (distance) C4'-P energy: -93.548 bonds (distance) P-C4' energy: -117.241 flat angles C4'-P-C4' energy: -137.997 flat angles P-C4'-P energy: -101.061 tors. eta vs tors. theta energy: -217.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2348.698830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.698830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.698830 (E_RNA) where: Base-Base interactions energy: -1657.070 where: short stacking energy: -670.180 Base-Backbone interact. energy: -1.584 local terms energy: -690.044628 where: bonds (distance) C4'-P energy: -123.797 bonds (distance) P-C4' energy: -121.725 flat angles C4'-P-C4' energy: -141.096 flat angles P-C4'-P energy: -86.364 tors. eta vs tors. theta energy: -217.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2162.305416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.305416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.305416 (E_RNA) where: Base-Base interactions energy: -1509.607 where: short stacking energy: -619.847 Base-Backbone interact. energy: 0.338 local terms energy: -653.036379 where: bonds (distance) C4'-P energy: -120.271 bonds (distance) P-C4' energy: -119.559 flat angles C4'-P-C4' energy: -134.241 flat angles P-C4'-P energy: -87.243 tors. eta vs tors. theta energy: -191.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2057.420383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.420383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.420383 (E_RNA) where: Base-Base interactions energy: -1468.969 where: short stacking energy: -608.039 Base-Backbone interact. energy: -1.171 local terms energy: -587.280431 where: bonds (distance) C4'-P energy: -96.070 bonds (distance) P-C4' energy: -105.384 flat angles C4'-P-C4' energy: -132.122 flat angles P-C4'-P energy: -69.529 tors. eta vs tors. theta energy: -184.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1641.890397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.890397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.890397 (E_RNA) where: Base-Base interactions energy: -1142.560 where: short stacking energy: -459.290 Base-Backbone interact. energy: -3.286 local terms energy: -496.043878 where: bonds (distance) C4'-P energy: -78.548 bonds (distance) P-C4' energy: -124.081 flat angles C4'-P-C4' energy: -124.017 flat angles P-C4'-P energy: -75.003 tors. eta vs tors. theta energy: -94.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1054.692333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.692333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.692333 (E_RNA) where: Base-Base interactions energy: -647.813 where: short stacking energy: -291.147 Base-Backbone interact. energy: 7.920 local terms energy: -414.799335 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -96.310 flat angles C4'-P-C4' energy: -87.788 flat angles P-C4'-P energy: -66.612 tors. eta vs tors. theta energy: -45.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2636.625689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.625689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.625689 (E_RNA) where: Base-Base interactions energy: -1868.265 where: short stacking energy: -770.048 Base-Backbone interact. energy: -4.093 local terms energy: -764.267664 where: bonds (distance) C4'-P energy: -118.892 bonds (distance) P-C4' energy: -135.821 flat angles C4'-P-C4' energy: -152.149 flat angles P-C4'-P energy: -120.402 tors. eta vs tors. theta energy: -237.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2619.115633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.115633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.115633 (E_RNA) where: Base-Base interactions energy: -1879.771 where: short stacking energy: -753.367 Base-Backbone interact. energy: 2.202 local terms energy: -741.547026 where: bonds (distance) C4'-P energy: -128.948 bonds (distance) P-C4' energy: -142.627 flat angles C4'-P-C4' energy: -145.631 flat angles P-C4'-P energy: -100.372 tors. eta vs tors. theta energy: -223.969 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: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2616.278500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.278500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.278500 (E_RNA) where: Base-Base interactions energy: -1882.600 where: short stacking energy: -775.156 Base-Backbone interact. energy: -0.041 local terms energy: -733.637555 where: bonds (distance) C4'-P energy: -107.364 bonds (distance) P-C4' energy: -106.088 flat angles C4'-P-C4' energy: -164.481 flat angles P-C4'-P energy: -109.425 tors. eta vs tors. theta energy: -246.279 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: 4, replica: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2528.670717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.670717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.670717 (E_RNA) where: Base-Base interactions energy: -1795.755 where: short stacking energy: -735.680 Base-Backbone interact. energy: -1.475 local terms energy: -731.440455 where: bonds (distance) C4'-P energy: -130.763 bonds (distance) P-C4' energy: -110.066 flat angles C4'-P-C4' energy: -157.001 flat angles P-C4'-P energy: -117.231 tors. eta vs tors. theta energy: -216.379 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: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2348.180442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.180442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.180442 (E_RNA) where: Base-Base interactions energy: -1650.850 where: short stacking energy: -699.397 Base-Backbone interact. energy: -1.562 local terms energy: -695.768563 where: bonds (distance) C4'-P energy: -111.010 bonds (distance) P-C4' energy: -129.008 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -102.661 tors. eta vs tors. theta energy: -207.823 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: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2345.026126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.026126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.026126 (E_RNA) where: Base-Base interactions energy: -1666.869 where: short stacking energy: -694.850 Base-Backbone interact. energy: -1.331 local terms energy: -676.826293 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -117.150 flat angles C4'-P-C4' energy: -138.683 flat angles P-C4'-P energy: -86.257 tors. eta vs tors. theta energy: -217.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2127.018293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.018293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.018293 (E_RNA) where: Base-Base interactions energy: -1496.702 where: short stacking energy: -627.328 Base-Backbone interact. energy: -0.129 local terms energy: -630.187505 where: bonds (distance) C4'-P energy: -97.722 bonds (distance) P-C4' energy: -119.136 flat angles C4'-P-C4' energy: -137.296 flat angles P-C4'-P energy: -88.179 tors. eta vs tors. theta energy: -187.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2039.140232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.140232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.140232 (E_RNA) where: Base-Base interactions energy: -1430.038 where: short stacking energy: -564.309 Base-Backbone interact. energy: -0.913 local terms energy: -608.189650 where: bonds (distance) C4'-P energy: -110.704 bonds (distance) P-C4' energy: -107.494 flat angles C4'-P-C4' energy: -133.512 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -171.877 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: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1647.777446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.777446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.777446 (E_RNA) where: Base-Base interactions energy: -1145.452 where: short stacking energy: -446.542 Base-Backbone interact. energy: -1.883 local terms energy: -500.442156 where: bonds (distance) C4'-P energy: -102.602 bonds (distance) P-C4' energy: -108.765 flat angles C4'-P-C4' energy: -105.121 flat angles P-C4'-P energy: -75.603 tors. eta vs tors. theta energy: -108.351 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: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1137.936660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.936660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.936660 (E_RNA) where: Base-Base interactions energy: -692.616 where: short stacking energy: -320.144 Base-Backbone interact. energy: 5.632 local terms energy: -450.953207 where: bonds (distance) C4'-P energy: -124.419 bonds (distance) P-C4' energy: -106.128 flat angles C4'-P-C4' energy: -97.075 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -47.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2647.004305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.004305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.004305 (E_RNA) where: Base-Base interactions energy: -1877.463 where: short stacking energy: -755.165 Base-Backbone interact. energy: -2.796 local terms energy: -766.745108 where: bonds (distance) C4'-P energy: -140.408 bonds (distance) P-C4' energy: -134.114 flat angles C4'-P-C4' energy: -155.538 flat angles P-C4'-P energy: -108.044 tors. eta vs tors. theta energy: -228.641 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: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2615.131521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.131521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.131521 (E_RNA) where: Base-Base interactions energy: -1861.600 where: short stacking energy: -751.531 Base-Backbone interact. energy: -1.947 local terms energy: -751.585365 where: bonds (distance) C4'-P energy: -128.942 bonds (distance) P-C4' energy: -135.176 flat angles C4'-P-C4' energy: -162.022 flat angles P-C4'-P energy: -104.431 tors. eta vs tors. theta energy: -221.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2618.304900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.304900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.304900 (E_RNA) where: Base-Base interactions energy: -1874.395 where: short stacking energy: -766.343 Base-Backbone interact. energy: 0.005 local terms energy: -743.915527 where: bonds (distance) C4'-P energy: -132.363 bonds (distance) P-C4' energy: -126.026 flat angles C4'-P-C4' energy: -153.813 flat angles P-C4'-P energy: -97.251 tors. eta vs tors. theta energy: -234.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2506.877199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.877199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.877199 (E_RNA) where: Base-Base interactions energy: -1791.722 where: short stacking energy: -732.245 Base-Backbone interact. energy: -0.818 local terms energy: -714.337681 where: bonds (distance) C4'-P energy: -111.318 bonds (distance) P-C4' energy: -109.203 flat angles C4'-P-C4' energy: -157.871 flat angles P-C4'-P energy: -113.685 tors. eta vs tors. theta energy: -222.262 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: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2414.773440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.773440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.773440 (E_RNA) where: Base-Base interactions energy: -1693.983 where: short stacking energy: -687.190 Base-Backbone interact. energy: -2.580 local terms energy: -718.209783 where: bonds (distance) C4'-P energy: -114.959 bonds (distance) P-C4' energy: -117.744 flat angles C4'-P-C4' energy: -153.538 flat angles P-C4'-P energy: -106.420 tors. eta vs tors. theta energy: -225.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2290.371207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.371207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.371207 (E_RNA) where: Base-Base interactions energy: -1637.354 where: short stacking energy: -676.529 Base-Backbone interact. energy: 0.372 local terms energy: -653.389023 where: bonds (distance) C4'-P energy: -105.965 bonds (distance) P-C4' energy: -113.125 flat angles C4'-P-C4' energy: -130.250 flat angles P-C4'-P energy: -91.873 tors. eta vs tors. theta energy: -212.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2148.872851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.872851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.872851 (E_RNA) where: Base-Base interactions energy: -1527.570 where: short stacking energy: -632.448 Base-Backbone interact. energy: -1.430 local terms energy: -619.873373 where: bonds (distance) C4'-P energy: -114.794 bonds (distance) P-C4' energy: -104.062 flat angles C4'-P-C4' energy: -133.731 flat angles P-C4'-P energy: -72.417 tors. eta vs tors. theta energy: -194.869 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: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1963.606584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.606584 (E_RNA) where: Base-Base interactions energy: -1356.900 where: short stacking energy: -560.565 Base-Backbone interact. energy: 0.436 local terms energy: -607.142893 where: bonds (distance) C4'-P energy: -121.180 bonds (distance) P-C4' energy: -110.943 flat angles C4'-P-C4' energy: -135.442 flat angles P-C4'-P energy: -74.390 tors. eta vs tors. theta energy: -165.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1696.765049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.765049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.765049 (E_RNA) where: Base-Base interactions energy: -1155.756 where: short stacking energy: -472.089 Base-Backbone interact. energy: 0.140 local terms energy: -541.149012 where: bonds (distance) C4'-P energy: -107.757 bonds (distance) P-C4' energy: -110.812 flat angles C4'-P-C4' energy: -127.575 flat angles P-C4'-P energy: -83.859 tors. eta vs tors. theta energy: -111.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1159.109323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.109323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.109323 (E_RNA) where: Base-Base interactions energy: -707.370 where: short stacking energy: -317.994 Base-Backbone interact. energy: 6.804 local terms energy: -458.543310 where: bonds (distance) C4'-P energy: -114.935 bonds (distance) P-C4' energy: -111.431 flat angles C4'-P-C4' energy: -100.992 flat angles P-C4'-P energy: -71.839 tors. eta vs tors. theta energy: -59.347 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: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2657.273580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.273580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.273580 (E_RNA) where: Base-Base interactions energy: -1889.242 where: short stacking energy: -772.617 Base-Backbone interact. energy: -4.005 local terms energy: -764.026378 where: bonds (distance) C4'-P energy: -132.097 bonds (distance) P-C4' energy: -125.736 flat angles C4'-P-C4' energy: -161.660 flat angles P-C4'-P energy: -103.969 tors. eta vs tors. theta energy: -240.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2661.356615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.356615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.356615 (E_RNA) where: Base-Base interactions energy: -1888.512 where: short stacking energy: -775.326 Base-Backbone interact. energy: -2.135 local terms energy: -770.709741 where: bonds (distance) C4'-P energy: -120.964 bonds (distance) P-C4' energy: -140.300 flat angles C4'-P-C4' energy: -150.835 flat angles P-C4'-P energy: -114.247 tors. eta vs tors. theta energy: -244.364 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: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2569.493620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.493620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.493620 (E_RNA) where: Base-Base interactions energy: -1855.673 where: short stacking energy: -745.463 Base-Backbone interact. energy: -1.656 local terms energy: -712.164805 where: bonds (distance) C4'-P energy: -113.468 bonds (distance) P-C4' energy: -132.144 flat angles C4'-P-C4' energy: -150.892 flat angles P-C4'-P energy: -99.006 tors. eta vs tors. theta energy: -216.655 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: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2523.506237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.506237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.506237 (E_RNA) where: Base-Base interactions energy: -1775.622 where: short stacking energy: -734.391 Base-Backbone interact. energy: -3.246 local terms energy: -744.638195 where: bonds (distance) C4'-P energy: -132.944 bonds (distance) P-C4' energy: -110.378 flat angles C4'-P-C4' energy: -161.901 flat angles P-C4'-P energy: -111.534 tors. eta vs tors. theta energy: -227.882 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: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2430.398304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.398304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.398304 (E_RNA) where: Base-Base interactions energy: -1734.694 where: short stacking energy: -716.377 Base-Backbone interact. energy: -1.177 local terms energy: -694.527252 where: bonds (distance) C4'-P energy: -118.586 bonds (distance) P-C4' energy: -111.672 flat angles C4'-P-C4' energy: -147.658 flat angles P-C4'-P energy: -100.258 tors. eta vs tors. theta energy: -216.352 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: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2239.605574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.605574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.605574 (E_RNA) where: Base-Base interactions energy: -1568.869 where: short stacking energy: -648.033 Base-Backbone interact. energy: -2.296 local terms energy: -668.440829 where: bonds (distance) C4'-P energy: -117.000 bonds (distance) P-C4' energy: -118.064 flat angles C4'-P-C4' energy: -140.979 flat angles P-C4'-P energy: -97.080 tors. eta vs tors. theta energy: -195.319 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: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2131.821233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.821233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.821233 (E_RNA) where: Base-Base interactions energy: -1492.138 where: short stacking energy: -625.392 Base-Backbone interact. energy: 0.878 local terms energy: -640.560857 where: bonds (distance) C4'-P energy: -107.615 bonds (distance) P-C4' energy: -110.657 flat angles C4'-P-C4' energy: -135.960 flat angles P-C4'-P energy: -99.573 tors. eta vs tors. theta energy: -186.756 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: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2019.913090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.913090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.913090 (E_RNA) where: Base-Base interactions energy: -1413.567 where: short stacking energy: -591.578 Base-Backbone interact. energy: 1.122 local terms energy: -607.467639 where: bonds (distance) C4'-P energy: -122.561 bonds (distance) P-C4' energy: -102.115 flat angles C4'-P-C4' energy: -127.561 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -177.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1654.713226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.713226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.713226 (E_RNA) where: Base-Base interactions energy: -1147.236 where: short stacking energy: -473.026 Base-Backbone interact. energy: 2.629 local terms energy: -510.106159 where: bonds (distance) C4'-P energy: -115.808 bonds (distance) P-C4' energy: -114.040 flat angles C4'-P-C4' energy: -114.124 flat angles P-C4'-P energy: -67.962 tors. eta vs tors. theta energy: -98.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1153.214713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.214713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.214713 (E_RNA) where: Base-Base interactions energy: -738.066 where: short stacking energy: -319.726 Base-Backbone interact. energy: 0.589 local terms energy: -415.737133 where: bonds (distance) C4'-P energy: -111.705 bonds (distance) P-C4' energy: -107.792 flat angles C4'-P-C4' energy: -88.032 flat angles P-C4'-P energy: -57.092 tors. eta vs tors. theta energy: -51.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2676.288063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.288063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.288063 (E_RNA) where: Base-Base interactions energy: -1885.520 where: short stacking energy: -779.321 Base-Backbone interact. energy: -2.830 local terms energy: -787.938083 where: bonds (distance) C4'-P energy: -128.427 bonds (distance) P-C4' energy: -133.801 flat angles C4'-P-C4' energy: -171.550 flat angles P-C4'-P energy: -109.034 tors. eta vs tors. theta energy: -245.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2647.993961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.993961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.993961 (E_RNA) where: Base-Base interactions energy: -1878.990 where: short stacking energy: -764.999 Base-Backbone interact. energy: -2.609 local terms energy: -766.395018 where: bonds (distance) C4'-P energy: -137.612 bonds (distance) P-C4' energy: -132.919 flat angles C4'-P-C4' energy: -152.348 flat angles P-C4'-P energy: -105.436 tors. eta vs tors. theta energy: -238.080 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: 392 Temperature: 1.000000 Total energy: -2557.132218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.132218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.132218 (E_RNA) where: Base-Base interactions energy: -1799.266 where: short stacking energy: -693.386 Base-Backbone interact. energy: -0.982 local terms energy: -756.883582 where: bonds (distance) C4'-P energy: -140.601 bonds (distance) P-C4' energy: -134.744 flat angles C4'-P-C4' energy: -155.516 flat angles P-C4'-P energy: -116.542 tors. eta vs tors. theta energy: -209.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2537.600798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.600798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.600798 (E_RNA) where: Base-Base interactions energy: -1821.523 where: short stacking energy: -729.576 Base-Backbone interact. energy: -2.935 local terms energy: -713.143667 where: bonds (distance) C4'-P energy: -119.483 bonds (distance) P-C4' energy: -123.681 flat angles C4'-P-C4' energy: -165.120 flat angles P-C4'-P energy: -94.794 tors. eta vs tors. theta energy: -210.065 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: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2426.710776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.710776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.710776 (E_RNA) where: Base-Base interactions energy: -1716.050 where: short stacking energy: -704.455 Base-Backbone interact. energy: -0.042 local terms energy: -710.618764 where: bonds (distance) C4'-P energy: -110.400 bonds (distance) P-C4' energy: -124.603 flat angles C4'-P-C4' energy: -152.233 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -221.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2222.539924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.539924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.539924 (E_RNA) where: Base-Base interactions energy: -1557.307 where: short stacking energy: -680.331 Base-Backbone interact. energy: 1.254 local terms energy: -666.487076 where: bonds (distance) C4'-P energy: -108.481 bonds (distance) P-C4' energy: -108.691 flat angles C4'-P-C4' energy: -143.758 flat angles P-C4'-P energy: -101.854 tors. eta vs tors. theta energy: -203.704 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2135.891271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.891271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.891271 (E_RNA) where: Base-Base interactions energy: -1529.328 where: short stacking energy: -630.690 Base-Backbone interact. energy: -0.591 local terms energy: -605.972740 where: bonds (distance) C4'-P energy: -108.325 bonds (distance) P-C4' energy: -101.260 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -84.120 tors. eta vs tors. theta energy: -191.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1966.455694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.455694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.455694 (E_RNA) where: Base-Base interactions energy: -1386.455 where: short stacking energy: -578.035 Base-Backbone interact. energy: -2.044 local terms energy: -577.956772 where: bonds (distance) C4'-P energy: -109.082 bonds (distance) P-C4' energy: -94.882 flat angles C4'-P-C4' energy: -127.004 flat angles P-C4'-P energy: -77.895 tors. eta vs tors. theta energy: -169.093 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: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1702.018547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.018547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.018547 (E_RNA) where: Base-Base interactions energy: -1177.160 where: short stacking energy: -486.665 Base-Backbone interact. energy: 4.334 local terms energy: -529.192183 where: bonds (distance) C4'-P energy: -102.174 bonds (distance) P-C4' energy: -110.803 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -85.214 tors. eta vs tors. theta energy: -118.922 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: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1143.841087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.841087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.841087 (E_RNA) where: Base-Base interactions energy: -690.654 where: short stacking energy: -310.933 Base-Backbone interact. energy: 0.586 local terms energy: -453.773565 where: bonds (distance) C4'-P energy: -118.689 bonds (distance) P-C4' energy: -124.630 flat angles C4'-P-C4' energy: -106.073 flat angles P-C4'-P energy: -51.588 tors. eta vs tors. theta energy: -52.794 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: 393 Temperature: 0.900000 Total energy: -2657.622119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.622119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.622119 (E_RNA) where: Base-Base interactions energy: -1872.753 where: short stacking energy: -773.514 Base-Backbone interact. energy: -0.403 local terms energy: -784.466929 where: bonds (distance) C4'-P energy: -137.313 bonds (distance) P-C4' energy: -139.545 flat angles C4'-P-C4' energy: -161.398 flat angles P-C4'-P energy: -116.082 tors. eta vs tors. theta energy: -230.129 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: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2622.016428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.016428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.016428 (E_RNA) where: Base-Base interactions energy: -1867.375 where: short stacking energy: -769.554 Base-Backbone interact. energy: -1.324 local terms energy: -753.317530 where: bonds (distance) C4'-P energy: -114.438 bonds (distance) P-C4' energy: -139.553 flat angles C4'-P-C4' energy: -151.141 flat angles P-C4'-P energy: -106.323 tors. eta vs tors. theta energy: -241.862 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: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2570.807221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.807221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.807221 (E_RNA) where: Base-Base interactions energy: -1840.703 where: short stacking energy: -738.321 Base-Backbone interact. energy: -0.001 local terms energy: -730.103404 where: bonds (distance) C4'-P energy: -124.361 bonds (distance) P-C4' energy: -131.254 flat angles C4'-P-C4' energy: -154.189 flat angles P-C4'-P energy: -100.450 tors. eta vs tors. theta energy: -219.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2477.975116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.975116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.975116 (E_RNA) where: Base-Base interactions energy: -1761.831 where: short stacking energy: -737.078 Base-Backbone interact. energy: -0.124 local terms energy: -716.019686 where: bonds (distance) C4'-P energy: -123.892 bonds (distance) P-C4' energy: -119.754 flat angles C4'-P-C4' energy: -141.132 flat angles P-C4'-P energy: -98.650 tors. eta vs tors. theta energy: -232.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2463.394440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.394440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.394440 (E_RNA) where: Base-Base interactions energy: -1752.614 where: short stacking energy: -721.427 Base-Backbone interact. energy: -2.687 local terms energy: -708.093117 where: bonds (distance) C4'-P energy: -120.114 bonds (distance) P-C4' energy: -123.108 flat angles C4'-P-C4' energy: -150.188 flat angles P-C4'-P energy: -93.557 tors. eta vs tors. theta energy: -221.126 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: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2217.925913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.925913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.925913 (E_RNA) where: Base-Base interactions energy: -1554.358 where: short stacking energy: -656.525 Base-Backbone interact. energy: 2.241 local terms energy: -665.808828 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -118.791 flat angles C4'-P-C4' energy: -133.947 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -191.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2141.079604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.079604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.079604 (E_RNA) where: Base-Base interactions energy: -1518.782 where: short stacking energy: -622.684 Base-Backbone interact. energy: 1.625 local terms energy: -623.923390 where: bonds (distance) C4'-P energy: -120.251 bonds (distance) P-C4' energy: -111.535 flat angles C4'-P-C4' energy: -130.591 flat angles P-C4'-P energy: -75.992 tors. eta vs tors. theta energy: -185.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1976.599986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.599986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.599986 (E_RNA) where: Base-Base interactions energy: -1373.863 where: short stacking energy: -565.693 Base-Backbone interact. energy: -0.119 local terms energy: -602.617788 where: bonds (distance) C4'-P energy: -109.353 bonds (distance) P-C4' energy: -105.343 flat angles C4'-P-C4' energy: -134.905 flat angles P-C4'-P energy: -95.723 tors. eta vs tors. theta energy: -157.294 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: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1703.873155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.873155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.873155 (E_RNA) where: Base-Base interactions energy: -1197.192 where: short stacking energy: -494.159 Base-Backbone interact. energy: -2.593 local terms energy: -504.088126 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -115.875 flat angles P-C4'-P energy: -83.893 tors. eta vs tors. theta energy: -113.102 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: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1202.818100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.818100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.818100 (E_RNA) where: Base-Base interactions energy: -766.592 where: short stacking energy: -313.416 Base-Backbone interact. energy: -0.454 local terms energy: -435.772343 where: bonds (distance) C4'-P energy: -128.643 bonds (distance) P-C4' energy: -89.955 flat angles C4'-P-C4' energy: -109.740 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: -44.858 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: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2659.130660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.130660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.130660 (E_RNA) where: Base-Base interactions energy: -1896.518 where: short stacking energy: -793.118 Base-Backbone interact. energy: -1.276 local terms energy: -761.336137 where: bonds (distance) C4'-P energy: -133.727 bonds (distance) P-C4' energy: -134.027 flat angles C4'-P-C4' energy: -161.734 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -241.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2640.448628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.448628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.448628 (E_RNA) where: Base-Base interactions energy: -1897.091 where: short stacking energy: -774.843 Base-Backbone interact. energy: -2.468 local terms energy: -740.889961 where: bonds (distance) C4'-P energy: -116.967 bonds (distance) P-C4' energy: -134.913 flat angles C4'-P-C4' energy: -158.455 flat angles P-C4'-P energy: -99.292 tors. eta vs tors. theta energy: -231.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2564.826534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.826534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.826534 (E_RNA) where: Base-Base interactions energy: -1841.121 where: short stacking energy: -729.580 Base-Backbone interact. energy: -1.400 local terms energy: -722.305288 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -136.069 flat angles C4'-P-C4' energy: -133.943 flat angles P-C4'-P energy: -110.673 tors. eta vs tors. theta energy: -225.393 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: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2517.396769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.396769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.396769 (E_RNA) where: Base-Base interactions energy: -1775.331 where: short stacking energy: -753.933 Base-Backbone interact. energy: -1.941 local terms energy: -740.124570 where: bonds (distance) C4'-P energy: -133.566 bonds (distance) P-C4' energy: -118.229 flat angles C4'-P-C4' energy: -152.686 flat angles P-C4'-P energy: -101.846 tors. eta vs tors. theta energy: -233.798 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: 394 Temperature: 1.100000 Total energy: -2468.903974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.903974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.903974 (E_RNA) where: Base-Base interactions energy: -1764.724 where: short stacking energy: -728.703 Base-Backbone interact. energy: -3.256 local terms energy: -700.924501 where: bonds (distance) C4'-P energy: -104.589 bonds (distance) P-C4' energy: -117.933 flat angles C4'-P-C4' energy: -151.028 flat angles P-C4'-P energy: -113.518 tors. eta vs tors. theta energy: -213.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2263.290321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.290321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.290321 (E_RNA) where: Base-Base interactions energy: -1611.402 where: short stacking energy: -673.331 Base-Backbone interact. energy: -0.854 local terms energy: -651.034833 where: bonds (distance) C4'-P energy: -93.139 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -133.336 flat angles P-C4'-P energy: -97.849 tors. eta vs tors. theta energy: -207.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2124.958447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.958447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.958447 (E_RNA) where: Base-Base interactions energy: -1493.447 where: short stacking energy: -598.975 Base-Backbone interact. energy: -0.145 local terms energy: -631.365987 where: bonds (distance) C4'-P energy: -106.285 bonds (distance) P-C4' energy: -113.739 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -87.047 tors. eta vs tors. theta energy: -180.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1978.791520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.791520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.791520 (E_RNA) where: Base-Base interactions energy: -1380.381 where: short stacking energy: -581.005 Base-Backbone interact. energy: 0.634 local terms energy: -599.044783 where: bonds (distance) C4'-P energy: -123.004 bonds (distance) P-C4' energy: -102.684 flat angles C4'-P-C4' energy: -116.248 flat angles P-C4'-P energy: -85.330 tors. eta vs tors. theta energy: -171.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1727.306923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.306923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.306923 (E_RNA) where: Base-Base interactions energy: -1194.295 where: short stacking energy: -497.430 Base-Backbone interact. energy: -2.247 local terms energy: -530.764934 where: bonds (distance) C4'-P energy: -83.875 bonds (distance) P-C4' energy: -90.868 flat angles C4'-P-C4' energy: -132.135 flat angles P-C4'-P energy: -87.761 tors. eta vs tors. theta energy: -136.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1148.146418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.146418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.146418 (E_RNA) where: Base-Base interactions energy: -718.506 where: short stacking energy: -323.856 Base-Backbone interact. energy: 6.147 local terms energy: -435.788001 where: bonds (distance) C4'-P energy: -94.712 bonds (distance) P-C4' energy: -107.526 flat angles C4'-P-C4' energy: -112.126 flat angles P-C4'-P energy: -68.832 tors. eta vs tors. theta energy: -52.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2676.378452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.378452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.378452 (E_RNA) where: Base-Base interactions energy: -1895.158 where: short stacking energy: -789.349 Base-Backbone interact. energy: 0.986 local terms energy: -782.206242 where: bonds (distance) C4'-P energy: -130.927 bonds (distance) P-C4' energy: -139.828 flat angles C4'-P-C4' energy: -155.131 flat angles P-C4'-P energy: -114.140 tors. eta vs tors. theta energy: -242.180 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: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2625.927601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.927601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.927601 (E_RNA) where: Base-Base interactions energy: -1864.390 where: short stacking energy: -767.060 Base-Backbone interact. energy: -0.352 local terms energy: -761.185609 where: bonds (distance) C4'-P energy: -118.927 bonds (distance) P-C4' energy: -136.400 flat angles C4'-P-C4' energy: -156.776 flat angles P-C4'-P energy: -112.936 tors. eta vs tors. theta energy: -236.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2555.693544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.693544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.693544 (E_RNA) where: Base-Base interactions energy: -1827.444 where: short stacking energy: -721.793 Base-Backbone interact. energy: -2.510 local terms energy: -725.739803 where: bonds (distance) C4'-P energy: -141.207 bonds (distance) P-C4' energy: -118.906 flat angles C4'-P-C4' energy: -145.355 flat angles P-C4'-P energy: -106.833 tors. eta vs tors. theta energy: -213.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2493.505490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.505490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.505490 (E_RNA) where: Base-Base interactions energy: -1775.798 where: short stacking energy: -716.667 Base-Backbone interact. energy: -1.862 local terms energy: -715.846009 where: bonds (distance) C4'-P energy: -126.868 bonds (distance) P-C4' energy: -126.621 flat angles C4'-P-C4' energy: -147.263 flat angles P-C4'-P energy: -106.834 tors. eta vs tors. theta energy: -208.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2458.722442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.722442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.722442 (E_RNA) where: Base-Base interactions energy: -1720.371 where: short stacking energy: -709.578 Base-Backbone interact. energy: -2.208 local terms energy: -736.143513 where: bonds (distance) C4'-P energy: -133.611 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -139.955 flat angles P-C4'-P energy: -109.949 tors. eta vs tors. theta energy: -227.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2233.049570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.049570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.049570 (E_RNA) where: Base-Base interactions energy: -1568.636 where: short stacking energy: -653.301 Base-Backbone interact. energy: -2.152 local terms energy: -662.261295 where: bonds (distance) C4'-P energy: -111.488 bonds (distance) P-C4' energy: -96.740 flat angles C4'-P-C4' energy: -143.064 flat angles P-C4'-P energy: -102.513 tors. eta vs tors. theta energy: -208.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2174.800790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.800790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.800790 (E_RNA) where: Base-Base interactions energy: -1540.311 where: short stacking energy: -645.785 Base-Backbone interact. energy: -1.955 local terms energy: -632.534989 where: bonds (distance) C4'-P energy: -107.320 bonds (distance) P-C4' energy: -106.908 flat angles C4'-P-C4' energy: -142.051 flat angles P-C4'-P energy: -85.991 tors. eta vs tors. theta energy: -190.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2011.136322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.136322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.136322 (E_RNA) where: Base-Base interactions energy: -1432.870 where: short stacking energy: -588.121 Base-Backbone interact. energy: -0.341 local terms energy: -577.924862 where: bonds (distance) C4'-P energy: -107.949 bonds (distance) P-C4' energy: -103.761 flat angles C4'-P-C4' energy: -128.554 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: -164.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1726.040392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.040392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.040392 (E_RNA) where: Base-Base interactions energy: -1212.394 where: short stacking energy: -484.782 Base-Backbone interact. energy: 2.907 local terms energy: -516.554287 where: bonds (distance) C4'-P energy: -110.721 bonds (distance) P-C4' energy: -114.723 flat angles C4'-P-C4' energy: -112.612 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: -116.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1210.423313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.423313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.423313 (E_RNA) where: Base-Base interactions energy: -777.598 where: short stacking energy: -357.932 Base-Backbone interact. energy: 3.816 local terms energy: -436.641359 where: bonds (distance) C4'-P energy: -82.568 bonds (distance) P-C4' energy: -114.787 flat angles C4'-P-C4' energy: -103.821 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -56.536 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: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2662.711386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.711386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.711386 (E_RNA) where: Base-Base interactions energy: -1891.441 where: short stacking energy: -786.339 Base-Backbone interact. energy: -1.361 local terms energy: -769.909561 where: bonds (distance) C4'-P energy: -128.323 bonds (distance) P-C4' energy: -130.586 flat angles C4'-P-C4' energy: -157.542 flat angles P-C4'-P energy: -111.512 tors. eta vs tors. theta energy: -241.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2624.684370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.684370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.684370 (E_RNA) where: Base-Base interactions energy: -1873.680 where: short stacking energy: -762.408 Base-Backbone interact. energy: -1.550 local terms energy: -749.453701 where: bonds (distance) C4'-P energy: -126.852 bonds (distance) P-C4' energy: -136.067 flat angles C4'-P-C4' energy: -153.636 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -236.025 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: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2553.933985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.933985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.933985 (E_RNA) where: Base-Base interactions energy: -1822.837 where: short stacking energy: -720.006 Base-Backbone interact. energy: -1.762 local terms energy: -729.335382 where: bonds (distance) C4'-P energy: -129.249 bonds (distance) P-C4' energy: -124.308 flat angles C4'-P-C4' energy: -157.915 flat angles P-C4'-P energy: -89.844 tors. eta vs tors. theta energy: -228.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2513.134752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.134752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.134752 (E_RNA) where: Base-Base interactions energy: -1792.873 where: short stacking energy: -737.745 Base-Backbone interact. energy: -1.425 local terms energy: -718.837128 where: bonds (distance) C4'-P energy: -136.294 bonds (distance) P-C4' energy: -131.430 flat angles C4'-P-C4' energy: -138.955 flat angles P-C4'-P energy: -98.555 tors. eta vs tors. theta energy: -213.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2420.735153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.735153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.735153 (E_RNA) where: Base-Base interactions energy: -1726.789 where: short stacking energy: -699.894 Base-Backbone interact. energy: 0.051 local terms energy: -693.997463 where: bonds (distance) C4'-P energy: -115.183 bonds (distance) P-C4' energy: -122.640 flat angles C4'-P-C4' energy: -143.437 flat angles P-C4'-P energy: -95.497 tors. eta vs tors. theta energy: -217.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2252.901058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.901058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.901058 (E_RNA) where: Base-Base interactions energy: -1580.053 where: short stacking energy: -697.106 Base-Backbone interact. energy: -1.691 local terms energy: -671.157239 where: bonds (distance) C4'-P energy: -112.188 bonds (distance) P-C4' energy: -116.025 flat angles C4'-P-C4' energy: -145.610 flat angles P-C4'-P energy: -94.003 tors. eta vs tors. theta energy: -203.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2143.444815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.444815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.444815 (E_RNA) where: Base-Base interactions energy: -1536.340 where: short stacking energy: -647.685 Base-Backbone interact. energy: -2.445 local terms energy: -604.659512 where: bonds (distance) C4'-P energy: -116.419 bonds (distance) P-C4' energy: -90.163 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -78.044 tors. eta vs tors. theta energy: -187.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1940.516540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.516540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.516540 (E_RNA) where: Base-Base interactions energy: -1351.911 where: short stacking energy: -555.909 Base-Backbone interact. energy: -0.723 local terms energy: -587.883031 where: bonds (distance) C4'-P energy: -107.018 bonds (distance) P-C4' energy: -120.011 flat angles C4'-P-C4' energy: -129.737 flat angles P-C4'-P energy: -69.181 tors. eta vs tors. theta energy: -161.936 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: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1723.316257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.316257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.316257 (E_RNA) where: Base-Base interactions energy: -1210.760 where: short stacking energy: -495.290 Base-Backbone interact. energy: 0.262 local terms energy: -512.817978 where: bonds (distance) C4'-P energy: -90.282 bonds (distance) P-C4' energy: -111.230 flat angles C4'-P-C4' energy: -128.476 flat angles P-C4'-P energy: -70.292 tors. eta vs tors. theta energy: -112.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1260.931627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.931627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.931627 (E_RNA) where: Base-Base interactions energy: -801.629 where: short stacking energy: -377.641 Base-Backbone interact. energy: -3.712 local terms energy: -455.591360 where: bonds (distance) C4'-P energy: -96.435 bonds (distance) P-C4' energy: -91.543 flat angles C4'-P-C4' energy: -119.599 flat angles P-C4'-P energy: -72.177 tors. eta vs tors. theta energy: -75.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2672.128261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.128261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.128261 (E_RNA) where: Base-Base interactions energy: -1867.587 where: short stacking energy: -781.791 Base-Backbone interact. energy: -2.202 local terms energy: -802.339685 where: bonds (distance) C4'-P energy: -137.181 bonds (distance) P-C4' energy: -134.629 flat angles C4'-P-C4' energy: -169.321 flat angles P-C4'-P energy: -118.167 tors. eta vs tors. theta energy: -243.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2652.376411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.376411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.376411 (E_RNA) where: Base-Base interactions energy: -1870.048 where: short stacking energy: -765.232 Base-Backbone interact. energy: -2.083 local terms energy: -780.244773 where: bonds (distance) C4'-P energy: -135.230 bonds (distance) P-C4' energy: -138.822 flat angles C4'-P-C4' energy: -157.912 flat angles P-C4'-P energy: -105.955 tors. eta vs tors. theta energy: -242.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2553.312265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.312265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.312265 (E_RNA) where: Base-Base interactions energy: -1824.471 where: short stacking energy: -732.400 Base-Backbone interact. energy: -1.442 local terms energy: -727.399949 where: bonds (distance) C4'-P energy: -124.625 bonds (distance) P-C4' energy: -112.783 flat angles C4'-P-C4' energy: -163.112 flat angles P-C4'-P energy: -106.309 tors. eta vs tors. theta energy: -220.571 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: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2499.170443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.170443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.170443 (E_RNA) where: Base-Base interactions energy: -1774.384 where: short stacking energy: -733.453 Base-Backbone interact. energy: -2.674 local terms energy: -722.112830 where: bonds (distance) C4'-P energy: -127.422 bonds (distance) P-C4' energy: -117.932 flat angles C4'-P-C4' energy: -154.780 flat angles P-C4'-P energy: -103.044 tors. eta vs tors. theta energy: -218.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2399.965850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.965850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.965850 (E_RNA) where: Base-Base interactions energy: -1693.340 where: short stacking energy: -691.433 Base-Backbone interact. energy: -0.897 local terms energy: -705.728248 where: bonds (distance) C4'-P energy: -114.358 bonds (distance) P-C4' energy: -117.990 flat angles C4'-P-C4' energy: -144.538 flat angles P-C4'-P energy: -103.625 tors. eta vs tors. theta energy: -225.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2275.572743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.572743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.572743 (E_RNA) where: Base-Base interactions energy: -1577.924 where: short stacking energy: -674.103 Base-Backbone interact. energy: 2.450 local terms energy: -700.098971 where: bonds (distance) C4'-P energy: -127.215 bonds (distance) P-C4' energy: -120.764 flat angles C4'-P-C4' energy: -136.459 flat angles P-C4'-P energy: -102.768 tors. eta vs tors. theta energy: -212.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2162.319390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.319390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.319390 (E_RNA) where: Base-Base interactions energy: -1533.017 where: short stacking energy: -626.156 Base-Backbone interact. energy: 0.296 local terms energy: -629.598493 where: bonds (distance) C4'-P energy: -117.490 bonds (distance) P-C4' energy: -121.145 flat angles C4'-P-C4' energy: -133.294 flat angles P-C4'-P energy: -76.153 tors. eta vs tors. theta energy: -181.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1943.866591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.866591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.866591 (E_RNA) where: Base-Base interactions energy: -1347.949 where: short stacking energy: -556.818 Base-Backbone interact. energy: -1.886 local terms energy: -594.031195 where: bonds (distance) C4'-P energy: -116.071 bonds (distance) P-C4' energy: -107.374 flat angles C4'-P-C4' energy: -134.893 flat angles P-C4'-P energy: -87.500 tors. eta vs tors. theta energy: -148.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1699.678187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.678187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.678187 (E_RNA) where: Base-Base interactions energy: -1159.209 where: short stacking energy: -485.500 Base-Backbone interact. energy: -2.594 local terms energy: -537.874943 where: bonds (distance) C4'-P energy: -107.506 bonds (distance) P-C4' energy: -117.667 flat angles C4'-P-C4' energy: -111.875 flat angles P-C4'-P energy: -84.620 tors. eta vs tors. theta energy: -116.207 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: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1249.914541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.914541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.914541 (E_RNA) where: Base-Base interactions energy: -817.294 where: short stacking energy: -359.291 Base-Backbone interact. energy: -3.396 local terms energy: -429.224293 where: bonds (distance) C4'-P energy: -98.621 bonds (distance) P-C4' energy: -103.186 flat angles C4'-P-C4' energy: -91.870 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: -69.150 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: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2674.123454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.123454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.123454 (E_RNA) where: Base-Base interactions energy: -1890.400 where: short stacking energy: -786.732 Base-Backbone interact. energy: -2.707 local terms energy: -781.016296 where: bonds (distance) C4'-P energy: -131.653 bonds (distance) P-C4' energy: -136.441 flat angles C4'-P-C4' energy: -164.080 flat angles P-C4'-P energy: -106.841 tors. eta vs tors. theta energy: -242.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2669.016796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.016796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.016796 (E_RNA) where: Base-Base interactions energy: -1903.487 where: short stacking energy: -778.098 Base-Backbone interact. energy: -1.082 local terms energy: -764.448283 where: bonds (distance) C4'-P energy: -137.330 bonds (distance) P-C4' energy: -132.624 flat angles C4'-P-C4' energy: -147.371 flat angles P-C4'-P energy: -101.299 tors. eta vs tors. theta energy: -245.823 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: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2592.797781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.797781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.797781 (E_RNA) where: Base-Base interactions energy: -1828.381 where: short stacking energy: -732.142 Base-Backbone interact. energy: -2.014 local terms energy: -762.403621 where: bonds (distance) C4'-P energy: -138.456 bonds (distance) P-C4' energy: -142.644 flat angles C4'-P-C4' energy: -151.069 flat angles P-C4'-P energy: -107.952 tors. eta vs tors. theta energy: -222.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2500.627882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.627882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.627882 (E_RNA) where: Base-Base interactions energy: -1806.795 where: short stacking energy: -719.775 Base-Backbone interact. energy: -0.074 local terms energy: -693.759283 where: bonds (distance) C4'-P energy: -101.285 bonds (distance) P-C4' energy: -122.214 flat angles C4'-P-C4' energy: -142.708 flat angles P-C4'-P energy: -110.475 tors. eta vs tors. theta energy: -217.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2417.285420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.285420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.285420 (E_RNA) where: Base-Base interactions energy: -1707.954 where: short stacking energy: -701.943 Base-Backbone interact. energy: -1.179 local terms energy: -708.151913 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -124.756 flat angles C4'-P-C4' energy: -145.426 flat angles P-C4'-P energy: -90.509 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: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2232.137743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.137743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.137743 (E_RNA) where: Base-Base interactions energy: -1602.163 where: short stacking energy: -663.199 Base-Backbone interact. energy: 2.197 local terms energy: -632.171305 where: bonds (distance) C4'-P energy: -115.351 bonds (distance) P-C4' energy: -100.057 flat angles C4'-P-C4' energy: -137.904 flat angles P-C4'-P energy: -88.150 tors. eta vs tors. theta energy: -190.710 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: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2176.603974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.603974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.603974 (E_RNA) where: Base-Base interactions energy: -1577.605 where: short stacking energy: -622.025 Base-Backbone interact. energy: 0.425 local terms energy: -599.424544 where: bonds (distance) C4'-P energy: -92.763 bonds (distance) P-C4' energy: -119.782 flat angles C4'-P-C4' energy: -118.852 flat angles P-C4'-P energy: -81.279 tors. eta vs tors. theta energy: -186.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1951.931203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.931203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.931203 (E_RNA) where: Base-Base interactions energy: -1339.339 where: short stacking energy: -563.416 Base-Backbone interact. energy: -1.810 local terms energy: -610.782598 where: bonds (distance) C4'-P energy: -112.728 bonds (distance) P-C4' energy: -124.429 flat angles C4'-P-C4' energy: -124.825 flat angles P-C4'-P energy: -86.843 tors. eta vs tors. theta energy: -161.958 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: 9, replica: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1760.442225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.442225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.442225 (E_RNA) where: Base-Base interactions energy: -1228.462 where: short stacking energy: -479.900 Base-Backbone interact. energy: 0.014 local terms energy: -531.994095 where: bonds (distance) C4'-P energy: -107.544 bonds (distance) P-C4' energy: -101.532 flat angles C4'-P-C4' energy: -130.085 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -122.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1182.584629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.584629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.584629 (E_RNA) where: Base-Base interactions energy: -753.402 where: short stacking energy: -367.886 Base-Backbone interact. energy: -1.830 local terms energy: -427.352858 where: bonds (distance) C4'-P energy: -87.343 bonds (distance) P-C4' energy: -108.406 flat angles C4'-P-C4' energy: -108.706 flat angles P-C4'-P energy: -56.464 tors. eta vs tors. theta energy: -66.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2709.545766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.545766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.545766 (E_RNA) where: Base-Base interactions energy: -1947.628 where: short stacking energy: -804.180 Base-Backbone interact. energy: -2.759 local terms energy: -759.159552 where: bonds (distance) C4'-P energy: -123.844 bonds (distance) P-C4' energy: -128.431 flat angles C4'-P-C4' energy: -163.530 flat angles P-C4'-P energy: -104.846 tors. eta vs tors. theta energy: -238.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2650.592890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.592890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.592890 (E_RNA) where: Base-Base interactions energy: -1894.030 where: short stacking energy: -787.326 Base-Backbone interact. energy: -0.419 local terms energy: -756.143784 where: bonds (distance) C4'-P energy: -119.144 bonds (distance) P-C4' energy: -131.793 flat angles C4'-P-C4' energy: -159.252 flat angles P-C4'-P energy: -109.480 tors. eta vs tors. theta energy: -236.475 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: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2553.352679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.352679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.352679 (E_RNA) where: Base-Base interactions energy: -1840.478 where: short stacking energy: -719.102 Base-Backbone interact. energy: -3.637 local terms energy: -709.238173 where: bonds (distance) C4'-P energy: -106.419 bonds (distance) P-C4' energy: -120.859 flat angles C4'-P-C4' energy: -151.513 flat angles P-C4'-P energy: -110.648 tors. eta vs tors. theta energy: -219.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2553.586724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.586724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.586724 (E_RNA) where: Base-Base interactions energy: -1844.449 where: short stacking energy: -743.828 Base-Backbone interact. energy: -1.051 local terms energy: -708.086920 where: bonds (distance) C4'-P energy: -133.354 bonds (distance) P-C4' energy: -109.114 flat angles C4'-P-C4' energy: -147.134 flat angles P-C4'-P energy: -96.872 tors. eta vs tors. theta energy: -221.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2433.324652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.324652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.324652 (E_RNA) where: Base-Base interactions energy: -1715.651 where: short stacking energy: -699.967 Base-Backbone interact. energy: -1.042 local terms energy: -716.631649 where: bonds (distance) C4'-P energy: -135.089 bonds (distance) P-C4' energy: -124.951 flat angles C4'-P-C4' energy: -144.010 flat angles P-C4'-P energy: -97.627 tors. eta vs tors. theta energy: -214.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2266.425523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.425523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.425523 (E_RNA) where: Base-Base interactions energy: -1592.079 where: short stacking energy: -657.276 Base-Backbone interact. energy: -2.502 local terms energy: -671.844563 where: bonds (distance) C4'-P energy: -110.158 bonds (distance) P-C4' energy: -114.591 flat angles C4'-P-C4' energy: -148.866 flat angles P-C4'-P energy: -89.480 tors. eta vs tors. theta energy: -208.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2100.950256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.950256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.950256 (E_RNA) where: Base-Base interactions energy: -1487.685 where: short stacking energy: -613.743 Base-Backbone interact. energy: 2.334 local terms energy: -615.599981 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -119.548 flat angles C4'-P-C4' energy: -131.577 flat angles P-C4'-P energy: -93.261 tors. eta vs tors. theta energy: -164.289 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: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1981.823665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.823665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.823665 (E_RNA) where: Base-Base interactions energy: -1405.382 where: short stacking energy: -576.437 Base-Backbone interact. energy: -2.138 local terms energy: -574.303719 where: bonds (distance) C4'-P energy: -106.485 bonds (distance) P-C4' energy: -103.080 flat angles C4'-P-C4' energy: -122.778 flat angles P-C4'-P energy: -74.711 tors. eta vs tors. theta energy: -167.250 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: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1925.823434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.823434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.823434 (E_RNA) where: Base-Base interactions energy: -1372.551 where: short stacking energy: -534.492 Base-Backbone interact. energy: -0.833 local terms energy: -552.439528 where: bonds (distance) C4'-P energy: -81.916 bonds (distance) P-C4' energy: -117.704 flat angles C4'-P-C4' energy: -120.096 flat angles P-C4'-P energy: -81.303 tors. eta vs tors. theta energy: -151.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1159.022530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.022530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.022530 (E_RNA) where: Base-Base interactions energy: -751.435 where: short stacking energy: -358.326 Base-Backbone interact. energy: 3.570 local terms energy: -411.157582 where: bonds (distance) C4'-P energy: -101.702 bonds (distance) P-C4' energy: -84.042 flat angles C4'-P-C4' energy: -114.154 flat angles P-C4'-P energy: -46.911 tors. eta vs tors. theta energy: -64.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2682.365768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.365768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.365768 (E_RNA) where: Base-Base interactions energy: -1909.875 where: short stacking energy: -781.225 Base-Backbone interact. energy: 0.888 local terms energy: -773.378067 where: bonds (distance) C4'-P energy: -124.915 bonds (distance) P-C4' energy: -133.941 flat angles C4'-P-C4' energy: -155.074 flat angles P-C4'-P energy: -116.319 tors. eta vs tors. theta energy: -243.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2631.351038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.351038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.351038 (E_RNA) where: Base-Base interactions energy: -1856.457 where: short stacking energy: -763.669 Base-Backbone interact. energy: -1.537 local terms energy: -773.356779 where: bonds (distance) C4'-P energy: -128.033 bonds (distance) P-C4' energy: -141.373 flat angles C4'-P-C4' energy: -156.087 flat angles P-C4'-P energy: -109.767 tors. eta vs tors. theta energy: -238.097 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: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2595.655622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.655622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.655622 (E_RNA) where: Base-Base interactions energy: -1833.476 where: short stacking energy: -730.807 Base-Backbone interact. energy: -2.625 local terms energy: -759.554532 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -130.728 flat angles C4'-P-C4' energy: -163.948 flat angles P-C4'-P energy: -108.287 tors. eta vs tors. theta energy: -223.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2500.846033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.846033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.846033 (E_RNA) where: Base-Base interactions energy: -1796.506 where: short stacking energy: -716.065 Base-Backbone interact. energy: -0.164 local terms energy: -704.176295 where: bonds (distance) C4'-P energy: -127.677 bonds (distance) P-C4' energy: -115.064 flat angles C4'-P-C4' energy: -155.145 flat angles P-C4'-P energy: -89.740 tors. eta vs tors. theta energy: -216.551 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: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2396.227014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.227014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.227014 (E_RNA) where: Base-Base interactions energy: -1697.514 where: short stacking energy: -696.662 Base-Backbone interact. energy: 0.789 local terms energy: -699.502493 where: bonds (distance) C4'-P energy: -138.121 bonds (distance) P-C4' energy: -127.535 flat angles C4'-P-C4' energy: -127.866 flat angles P-C4'-P energy: -97.279 tors. eta vs tors. theta energy: -208.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2255.355555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.355555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.355555 (E_RNA) where: Base-Base interactions energy: -1561.084 where: short stacking energy: -656.368 Base-Backbone interact. energy: -1.546 local terms energy: -692.724790 where: bonds (distance) C4'-P energy: -113.304 bonds (distance) P-C4' energy: -119.832 flat angles C4'-P-C4' energy: -146.418 flat angles P-C4'-P energy: -108.511 tors. eta vs tors. theta energy: -204.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2115.056969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.056969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.056969 (E_RNA) where: Base-Base interactions energy: -1481.807 where: short stacking energy: -622.400 Base-Backbone interact. energy: -0.791 local terms energy: -632.459334 where: bonds (distance) C4'-P energy: -116.039 bonds (distance) P-C4' energy: -109.659 flat angles C4'-P-C4' energy: -127.495 flat angles P-C4'-P energy: -89.982 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: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1922.555879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.555879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.555879 (E_RNA) where: Base-Base interactions energy: -1330.252 where: short stacking energy: -549.093 Base-Backbone interact. energy: 0.266 local terms energy: -592.569662 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -114.664 flat angles C4'-P-C4' energy: -134.349 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -159.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1898.198812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.198812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.198812 (E_RNA) where: Base-Base interactions energy: -1331.257 where: short stacking energy: -533.288 Base-Backbone interact. energy: -1.405 local terms energy: -565.536478 where: bonds (distance) C4'-P energy: -113.110 bonds (distance) P-C4' energy: -95.872 flat angles C4'-P-C4' energy: -115.795 flat angles P-C4'-P energy: -92.265 tors. eta vs tors. theta energy: -148.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1194.108896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.108896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.108896 (E_RNA) where: Base-Base interactions energy: -778.857 where: short stacking energy: -369.386 Base-Backbone interact. energy: 6.818 local terms energy: -422.070187 where: bonds (distance) C4'-P energy: -101.742 bonds (distance) P-C4' energy: -97.758 flat angles C4'-P-C4' energy: -94.672 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -60.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2716.460398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.460398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.460398 (E_RNA) where: Base-Base interactions energy: -1934.536 where: short stacking energy: -802.338 Base-Backbone interact. energy: -0.261 local terms energy: -781.662810 where: bonds (distance) C4'-P energy: -142.901 bonds (distance) P-C4' energy: -128.290 flat angles C4'-P-C4' energy: -168.981 flat angles P-C4'-P energy: -96.650 tors. eta vs tors. theta energy: -244.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2605.148537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.148537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.148537 (E_RNA) where: Base-Base interactions energy: -1848.269 where: short stacking energy: -748.353 Base-Backbone interact. energy: -2.133 local terms energy: -754.746463 where: bonds (distance) C4'-P energy: -137.203 bonds (distance) P-C4' energy: -139.244 flat angles C4'-P-C4' energy: -149.809 flat angles P-C4'-P energy: -103.739 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: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2581.383215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.383215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.383215 (E_RNA) where: Base-Base interactions energy: -1818.669 where: short stacking energy: -729.105 Base-Backbone interact. energy: -0.531 local terms energy: -762.183254 where: bonds (distance) C4'-P energy: -124.945 bonds (distance) P-C4' energy: -122.404 flat angles C4'-P-C4' energy: -160.746 flat angles P-C4'-P energy: -115.251 tors. eta vs tors. theta energy: -238.838 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: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2457.625162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.625162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.625162 (E_RNA) where: Base-Base interactions energy: -1751.499 where: short stacking energy: -707.286 Base-Backbone interact. energy: -1.697 local terms energy: -704.429116 where: bonds (distance) C4'-P energy: -121.599 bonds (distance) P-C4' energy: -108.649 flat angles C4'-P-C4' energy: -149.118 flat angles P-C4'-P energy: -105.019 tors. eta vs tors. theta energy: -220.044 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: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2460.624029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.624029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.624029 (E_RNA) where: Base-Base interactions energy: -1757.440 where: short stacking energy: -694.173 Base-Backbone interact. energy: -1.813 local terms energy: -701.371078 where: bonds (distance) C4'-P energy: -113.075 bonds (distance) P-C4' energy: -122.117 flat angles C4'-P-C4' energy: -161.323 flat angles P-C4'-P energy: -91.241 tors. eta vs tors. theta energy: -213.617 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: 6, replica: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2255.187006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.187006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.187006 (E_RNA) where: Base-Base interactions energy: -1587.487 where: short stacking energy: -653.836 Base-Backbone interact. energy: -0.383 local terms energy: -667.317440 where: bonds (distance) C4'-P energy: -110.454 bonds (distance) P-C4' energy: -120.593 flat angles C4'-P-C4' energy: -139.747 flat angles P-C4'-P energy: -93.608 tors. eta vs tors. theta energy: -202.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2120.396503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.396503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.396503 (E_RNA) where: Base-Base interactions energy: -1488.496 where: short stacking energy: -605.185 Base-Backbone interact. energy: -0.487 local terms energy: -631.413252 where: bonds (distance) C4'-P energy: -111.139 bonds (distance) P-C4' energy: -119.113 flat angles C4'-P-C4' energy: -136.376 flat angles P-C4'-P energy: -91.273 tors. eta vs tors. theta energy: -173.512 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: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1915.709078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.709078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.709078 (E_RNA) where: Base-Base interactions energy: -1358.083 where: short stacking energy: -563.755 Base-Backbone interact. energy: 0.813 local terms energy: -558.439165 where: bonds (distance) C4'-P energy: -112.982 bonds (distance) P-C4' energy: -103.218 flat angles C4'-P-C4' energy: -115.744 flat angles P-C4'-P energy: -81.924 tors. eta vs tors. theta energy: -144.570 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: 9, replica: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1819.333725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.333725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.333725 (E_RNA) where: Base-Base interactions energy: -1252.357 where: short stacking energy: -512.617 Base-Backbone interact. energy: -1.638 local terms energy: -565.339012 where: bonds (distance) C4'-P energy: -123.653 bonds (distance) P-C4' energy: -106.442 flat angles C4'-P-C4' energy: -127.207 flat angles P-C4'-P energy: -85.897 tors. eta vs tors. theta energy: -122.140 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: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1209.089720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.089720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.089720 (E_RNA) where: Base-Base interactions energy: -760.674 where: short stacking energy: -367.537 Base-Backbone interact. energy: 0.125 local terms energy: -448.539904 where: bonds (distance) C4'-P energy: -102.379 bonds (distance) P-C4' energy: -109.537 flat angles C4'-P-C4' energy: -114.785 flat angles P-C4'-P energy: -64.030 tors. eta vs tors. theta energy: -57.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2705.125076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.125076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.125076 (E_RNA) where: Base-Base interactions energy: -1928.021 where: short stacking energy: -796.951 Base-Backbone interact. energy: 0.306 local terms energy: -777.409915 where: bonds (distance) C4'-P energy: -134.176 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -162.495 flat angles P-C4'-P energy: -108.321 tors. eta vs tors. theta energy: -247.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2654.441780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.441780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.441780 (E_RNA) where: Base-Base interactions energy: -1891.510 where: short stacking energy: -751.440 Base-Backbone interact. energy: -1.038 local terms energy: -761.894006 where: bonds (distance) C4'-P energy: -123.057 bonds (distance) P-C4' energy: -137.294 flat angles C4'-P-C4' energy: -171.342 flat angles P-C4'-P energy: -108.050 tors. eta vs tors. theta energy: -222.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2564.165700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.165700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.165700 (E_RNA) where: Base-Base interactions energy: -1821.498 where: short stacking energy: -739.688 Base-Backbone interact. energy: 0.017 local terms energy: -742.684585 where: bonds (distance) C4'-P energy: -123.563 bonds (distance) P-C4' energy: -140.155 flat angles C4'-P-C4' energy: -155.327 flat angles P-C4'-P energy: -99.052 tors. eta vs tors. theta energy: -224.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2443.397251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.397251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.397251 (E_RNA) where: Base-Base interactions energy: -1731.742 where: short stacking energy: -736.709 Base-Backbone interact. energy: -1.722 local terms energy: -709.934102 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -122.355 flat angles C4'-P-C4' energy: -143.374 flat angles P-C4'-P energy: -92.850 tors. eta vs tors. theta energy: -226.169 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: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2483.881993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.881993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.881993 (E_RNA) where: Base-Base interactions energy: -1786.291 where: short stacking energy: -719.162 Base-Backbone interact. energy: 2.379 local terms energy: -699.970334 where: bonds (distance) C4'-P energy: -112.051 bonds (distance) P-C4' energy: -123.729 flat angles C4'-P-C4' energy: -149.616 flat angles P-C4'-P energy: -102.195 tors. eta vs tors. theta energy: -212.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2279.926604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.926604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.926604 (E_RNA) where: Base-Base interactions energy: -1615.531 where: short stacking energy: -688.342 Base-Backbone interact. energy: -2.605 local terms energy: -661.790509 where: bonds (distance) C4'-P energy: -109.035 bonds (distance) P-C4' energy: -114.914 flat angles C4'-P-C4' energy: -136.419 flat angles P-C4'-P energy: -99.945 tors. eta vs tors. theta energy: -201.478 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: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2160.177438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.177438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.177438 (E_RNA) where: Base-Base interactions energy: -1512.098 where: short stacking energy: -615.609 Base-Backbone interact. energy: 1.164 local terms energy: -649.243473 where: bonds (distance) C4'-P energy: -122.180 bonds (distance) P-C4' energy: -123.249 flat angles C4'-P-C4' energy: -136.735 flat angles P-C4'-P energy: -95.125 tors. eta vs tors. theta energy: -171.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1936.025180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.025180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.025180 (E_RNA) where: Base-Base interactions energy: -1336.659 where: short stacking energy: -542.332 Base-Backbone interact. energy: -2.125 local terms energy: -597.240239 where: bonds (distance) C4'-P energy: -117.297 bonds (distance) P-C4' energy: -114.059 flat angles C4'-P-C4' energy: -121.571 flat angles P-C4'-P energy: -91.568 tors. eta vs tors. theta energy: -152.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1816.435776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.435776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.435776 (E_RNA) where: Base-Base interactions energy: -1286.862 where: short stacking energy: -504.886 Base-Backbone interact. energy: 0.142 local terms energy: -529.716078 where: bonds (distance) C4'-P energy: -108.429 bonds (distance) P-C4' energy: -97.128 flat angles C4'-P-C4' energy: -119.050 flat angles P-C4'-P energy: -69.472 tors. eta vs tors. theta energy: -135.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1096.022362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.022362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.022362 (E_RNA) where: Base-Base interactions energy: -676.624 where: short stacking energy: -320.892 Base-Backbone interact. energy: 0.565 local terms energy: -419.963907 where: bonds (distance) C4'-P energy: -115.291 bonds (distance) P-C4' energy: -103.182 flat angles C4'-P-C4' energy: -102.347 flat angles P-C4'-P energy: -53.827 tors. eta vs tors. theta energy: -45.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2704.146465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.146465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.146465 (E_RNA) where: Base-Base interactions energy: -1914.301 where: short stacking energy: -788.207 Base-Backbone interact. energy: -0.978 local terms energy: -788.867034 where: bonds (distance) C4'-P energy: -133.199 bonds (distance) P-C4' energy: -134.317 flat angles C4'-P-C4' energy: -159.492 flat angles P-C4'-P energy: -111.469 tors. eta vs tors. theta energy: -250.389 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: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2616.104129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.104129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.104129 (E_RNA) where: Base-Base interactions energy: -1863.938 where: short stacking energy: -784.723 Base-Backbone interact. energy: -2.936 local terms energy: -749.230588 where: bonds (distance) C4'-P energy: -123.184 bonds (distance) P-C4' energy: -121.874 flat angles C4'-P-C4' energy: -166.475 flat angles P-C4'-P energy: -106.904 tors. eta vs tors. theta energy: -230.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2571.648908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.648908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.648908 (E_RNA) where: Base-Base interactions energy: -1813.014 where: short stacking energy: -745.744 Base-Backbone interact. energy: -1.705 local terms energy: -756.929450 where: bonds (distance) C4'-P energy: -127.070 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -164.060 flat angles P-C4'-P energy: -104.491 tors. eta vs tors. theta energy: -224.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2469.009476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.009476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.009476 (E_RNA) where: Base-Base interactions energy: -1766.884 where: short stacking energy: -719.925 Base-Backbone interact. energy: -4.050 local terms energy: -698.075819 where: bonds (distance) C4'-P energy: -125.953 bonds (distance) P-C4' energy: -129.639 flat angles C4'-P-C4' energy: -135.795 flat angles P-C4'-P energy: -97.508 tors. eta vs tors. theta energy: -209.181 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: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2387.446455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.446455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.446455 (E_RNA) where: Base-Base interactions energy: -1677.775 where: short stacking energy: -686.726 Base-Backbone interact. energy: -3.892 local terms energy: -705.779459 where: bonds (distance) C4'-P energy: -134.537 bonds (distance) P-C4' energy: -122.895 flat angles C4'-P-C4' energy: -139.847 flat angles P-C4'-P energy: -97.701 tors. eta vs tors. theta energy: -210.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2310.739224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.739224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.739224 (E_RNA) where: Base-Base interactions energy: -1656.020 where: short stacking energy: -672.680 Base-Backbone interact. energy: 0.161 local terms energy: -654.880465 where: bonds (distance) C4'-P energy: -95.438 bonds (distance) P-C4' energy: -111.779 flat angles C4'-P-C4' energy: -145.307 flat angles P-C4'-P energy: -92.743 tors. eta vs tors. theta energy: -209.614 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: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2125.945574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.945574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.945574 (E_RNA) where: Base-Base interactions energy: -1505.175 where: short stacking energy: -620.747 Base-Backbone interact. energy: -1.468 local terms energy: -619.302695 where: bonds (distance) C4'-P energy: -108.117 bonds (distance) P-C4' energy: -118.277 flat angles C4'-P-C4' energy: -122.982 flat angles P-C4'-P energy: -86.790 tors. eta vs tors. theta energy: -183.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1974.957485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.957485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.957485 (E_RNA) where: Base-Base interactions energy: -1380.414 where: short stacking energy: -557.585 Base-Backbone interact. energy: -1.752 local terms energy: -592.792017 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -117.741 flat angles C4'-P-C4' energy: -121.574 flat angles P-C4'-P energy: -90.399 tors. eta vs tors. theta energy: -154.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1847.144696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.144696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.144696 (E_RNA) where: Base-Base interactions energy: -1291.845 where: short stacking energy: -515.445 Base-Backbone interact. energy: -2.100 local terms energy: -553.200261 where: bonds (distance) C4'-P energy: -114.440 bonds (distance) P-C4' energy: -102.585 flat angles C4'-P-C4' energy: -111.836 flat angles P-C4'-P energy: -79.686 tors. eta vs tors. theta energy: -144.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1092.929992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.929992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.929992 (E_RNA) where: Base-Base interactions energy: -675.876 where: short stacking energy: -328.553 Base-Backbone interact. energy: 1.519 local terms energy: -418.572966 where: bonds (distance) C4'-P energy: -113.842 bonds (distance) P-C4' energy: -98.622 flat angles C4'-P-C4' energy: -99.988 flat angles P-C4'-P energy: -60.938 tors. eta vs tors. theta energy: -45.183 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: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2706.014975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.014975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.014975 (E_RNA) where: Base-Base interactions energy: -1931.804 where: short stacking energy: -812.795 Base-Backbone interact. energy: -2.605 local terms energy: -771.605739 where: bonds (distance) C4'-P energy: -122.274 bonds (distance) P-C4' energy: -128.273 flat angles C4'-P-C4' energy: -165.353 flat angles P-C4'-P energy: -107.525 tors. eta vs tors. theta energy: -248.181 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: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2615.116155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.116155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.116155 (E_RNA) where: Base-Base interactions energy: -1827.928 where: short stacking energy: -748.504 Base-Backbone interact. energy: 0.492 local terms energy: -787.680139 where: bonds (distance) C4'-P energy: -146.441 bonds (distance) P-C4' energy: -129.992 flat angles C4'-P-C4' energy: -160.152 flat angles P-C4'-P energy: -119.100 tors. eta vs tors. theta energy: -231.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2563.165309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.165309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.165309 (E_RNA) where: Base-Base interactions energy: -1816.950 where: short stacking energy: -732.518 Base-Backbone interact. energy: -1.956 local terms energy: -744.259892 where: bonds (distance) C4'-P energy: -143.404 bonds (distance) P-C4' energy: -126.494 flat angles C4'-P-C4' energy: -147.150 flat angles P-C4'-P energy: -101.543 tors. eta vs tors. theta energy: -225.668 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: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2470.642374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.642374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.642374 (E_RNA) where: Base-Base interactions energy: -1774.240 where: short stacking energy: -741.682 Base-Backbone interact. energy: -2.448 local terms energy: -693.953588 where: bonds (distance) C4'-P energy: -121.381 bonds (distance) P-C4' energy: -117.228 flat angles C4'-P-C4' energy: -149.318 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -223.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2373.446264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.446264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.446264 (E_RNA) where: Base-Base interactions energy: -1684.019 where: short stacking energy: -675.658 Base-Backbone interact. energy: -1.065 local terms energy: -688.362290 where: bonds (distance) C4'-P energy: -117.852 bonds (distance) P-C4' energy: -108.494 flat angles C4'-P-C4' energy: -140.158 flat angles P-C4'-P energy: -108.369 tors. eta vs tors. theta energy: -213.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2314.658153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.658153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.658153 (E_RNA) where: Base-Base interactions energy: -1657.150 where: short stacking energy: -666.159 Base-Backbone interact. energy: -1.336 local terms energy: -656.173062 where: bonds (distance) C4'-P energy: -96.091 bonds (distance) P-C4' energy: -124.066 flat angles C4'-P-C4' energy: -133.796 flat angles P-C4'-P energy: -89.707 tors. eta vs tors. theta energy: -212.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2070.824900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.824900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.824900 (E_RNA) where: Base-Base interactions energy: -1449.859 where: short stacking energy: -593.678 Base-Backbone interact. energy: -0.631 local terms energy: -620.334774 where: bonds (distance) C4'-P energy: -115.610 bonds (distance) P-C4' energy: -113.898 flat angles C4'-P-C4' energy: -132.261 flat angles P-C4'-P energy: -84.435 tors. eta vs tors. theta energy: -174.131 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: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2101.386473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.386473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.386473 (E_RNA) where: Base-Base interactions energy: -1502.308 where: short stacking energy: -628.216 Base-Backbone interact. energy: -1.638 local terms energy: -597.439832 where: bonds (distance) C4'-P energy: -84.225 bonds (distance) P-C4' energy: -103.581 flat angles C4'-P-C4' energy: -129.599 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -182.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1844.173321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.173321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.173321 (E_RNA) where: Base-Base interactions energy: -1292.100 where: short stacking energy: -533.991 Base-Backbone interact. energy: -3.304 local terms energy: -548.769745 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -101.671 flat angles C4'-P-C4' energy: -112.778 flat angles P-C4'-P energy: -89.668 tors. eta vs tors. theta energy: -133.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1070.150149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.150149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.150149 (E_RNA) where: Base-Base interactions energy: -641.819 where: short stacking energy: -303.294 Base-Backbone interact. energy: -0.451 local terms energy: -427.880216 where: bonds (distance) C4'-P energy: -97.574 bonds (distance) P-C4' energy: -104.493 flat angles C4'-P-C4' energy: -112.502 flat angles P-C4'-P energy: -63.862 tors. eta vs tors. theta energy: -49.450 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: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2693.146227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.146227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.146227 (E_RNA) where: Base-Base interactions energy: -1916.750 where: short stacking energy: -798.913 Base-Backbone interact. energy: 0.613 local terms energy: -777.008845 where: bonds (distance) C4'-P energy: -136.615 bonds (distance) P-C4' energy: -124.544 flat angles C4'-P-C4' energy: -162.314 flat angles P-C4'-P energy: -103.324 tors. eta vs tors. theta energy: -250.211 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: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2603.978658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.978658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.978658 (E_RNA) where: Base-Base interactions energy: -1850.947 where: short stacking energy: -740.787 Base-Backbone interact. energy: -2.411 local terms energy: -750.620384 where: bonds (distance) C4'-P energy: -122.884 bonds (distance) P-C4' energy: -142.360 flat angles C4'-P-C4' energy: -157.870 flat angles P-C4'-P energy: -100.045 tors. eta vs tors. theta energy: -227.462 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: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2557.882447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.882447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.882447 (E_RNA) where: Base-Base interactions energy: -1809.686 where: short stacking energy: -739.548 Base-Backbone interact. energy: 1.117 local terms energy: -749.313289 where: bonds (distance) C4'-P energy: -129.020 bonds (distance) P-C4' energy: -127.476 flat angles C4'-P-C4' energy: -152.923 flat angles P-C4'-P energy: -107.790 tors. eta vs tors. theta energy: -232.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2469.455658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.455658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.455658 (E_RNA) where: Base-Base interactions energy: -1763.618 where: short stacking energy: -692.829 Base-Backbone interact. energy: -2.130 local terms energy: -703.707424 where: bonds (distance) C4'-P energy: -126.303 bonds (distance) P-C4' energy: -113.765 flat angles C4'-P-C4' energy: -151.076 flat angles P-C4'-P energy: -97.386 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: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2393.881054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.881054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.881054 (E_RNA) where: Base-Base interactions energy: -1676.645 where: short stacking energy: -702.796 Base-Backbone interact. energy: -0.662 local terms energy: -716.573776 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -122.606 flat angles C4'-P-C4' energy: -155.780 flat angles P-C4'-P energy: -99.312 tors. eta vs tors. theta energy: -215.513 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: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2254.039081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.039081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.039081 (E_RNA) where: Base-Base interactions energy: -1614.271 where: short stacking energy: -653.226 Base-Backbone interact. energy: -0.918 local terms energy: -638.849678 where: bonds (distance) C4'-P energy: -103.619 bonds (distance) P-C4' energy: -135.444 flat angles C4'-P-C4' energy: -143.050 flat angles P-C4'-P energy: -69.335 tors. eta vs tors. theta energy: -187.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2090.967984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.967984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.967984 (E_RNA) where: Base-Base interactions energy: -1471.633 where: short stacking energy: -632.495 Base-Backbone interact. energy: -0.552 local terms energy: -618.782787 where: bonds (distance) C4'-P energy: -102.865 bonds (distance) P-C4' energy: -100.743 flat angles C4'-P-C4' energy: -146.133 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -191.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -2083.605750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.605750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.605750 (E_RNA) where: Base-Base interactions energy: -1445.750 where: short stacking energy: -588.240 Base-Backbone interact. energy: -0.315 local terms energy: -637.541176 where: bonds (distance) C4'-P energy: -111.712 bonds (distance) P-C4' energy: -126.392 flat angles C4'-P-C4' energy: -128.644 flat angles P-C4'-P energy: -79.468 tors. eta vs tors. theta energy: -191.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1863.403145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.403145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.403145 (E_RNA) where: Base-Base interactions energy: -1316.611 where: short stacking energy: -497.279 Base-Backbone interact. energy: 0.126 local terms energy: -546.918823 where: bonds (distance) C4'-P energy: -112.027 bonds (distance) P-C4' energy: -103.968 flat angles C4'-P-C4' energy: -137.842 flat angles P-C4'-P energy: -71.132 tors. eta vs tors. theta energy: -121.949 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: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1097.439905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.439905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.439905 (E_RNA) where: Base-Base interactions energy: -680.769 where: short stacking energy: -315.082 Base-Backbone interact. energy: 0.175 local terms energy: -416.846451 where: bonds (distance) C4'-P energy: -101.903 bonds (distance) P-C4' energy: -114.299 flat angles C4'-P-C4' energy: -86.123 flat angles P-C4'-P energy: -66.904 tors. eta vs tors. theta energy: -47.617 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: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2713.227765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.227765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.227765 (E_RNA) where: Base-Base interactions energy: -1932.454 where: short stacking energy: -806.043 Base-Backbone interact. energy: -0.853 local terms energy: -779.920202 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -131.996 flat angles C4'-P-C4' energy: -160.003 flat angles P-C4'-P energy: -110.996 tors. eta vs tors. theta energy: -247.352 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: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2605.833493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.833493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.833493 (E_RNA) where: Base-Base interactions energy: -1843.894 where: short stacking energy: -738.542 Base-Backbone interact. energy: -1.049 local terms energy: -760.890522 where: bonds (distance) C4'-P energy: -137.049 bonds (distance) P-C4' energy: -127.541 flat angles C4'-P-C4' energy: -169.301 flat angles P-C4'-P energy: -98.566 tors. eta vs tors. theta energy: -228.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2530.033360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.033360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.033360 (E_RNA) where: Base-Base interactions energy: -1774.091 where: short stacking energy: -732.125 Base-Backbone interact. energy: -0.449 local terms energy: -755.492954 where: bonds (distance) C4'-P energy: -136.038 bonds (distance) P-C4' energy: -123.143 flat angles C4'-P-C4' energy: -153.701 flat angles P-C4'-P energy: -105.502 tors. eta vs tors. theta energy: -237.109 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: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2473.568719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.568719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.568719 (E_RNA) where: Base-Base interactions energy: -1774.196 where: short stacking energy: -712.956 Base-Backbone interact. energy: 0.352 local terms energy: -699.724778 where: bonds (distance) C4'-P energy: -121.830 bonds (distance) P-C4' energy: -127.333 flat angles C4'-P-C4' energy: -148.223 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -216.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2405.468678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.468678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.468678 (E_RNA) where: Base-Base interactions energy: -1702.786 where: short stacking energy: -712.137 Base-Backbone interact. energy: -1.593 local terms energy: -701.090150 where: bonds (distance) C4'-P energy: -104.098 bonds (distance) P-C4' energy: -128.238 flat angles C4'-P-C4' energy: -152.164 flat angles P-C4'-P energy: -88.572 tors. eta vs tors. theta energy: -228.017 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: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2236.904128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.904128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.904128 (E_RNA) where: Base-Base interactions energy: -1612.441 where: short stacking energy: -666.472 Base-Backbone interact. energy: -0.013 local terms energy: -624.449677 where: bonds (distance) C4'-P energy: -105.229 bonds (distance) P-C4' energy: -114.222 flat angles C4'-P-C4' energy: -126.493 flat angles P-C4'-P energy: -77.916 tors. eta vs tors. theta energy: -200.590 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: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2150.036931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.036931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.036931 (E_RNA) where: Base-Base interactions energy: -1521.565 where: short stacking energy: -621.583 Base-Backbone interact. energy: 1.247 local terms energy: -629.719155 where: bonds (distance) C4'-P energy: -99.639 bonds (distance) P-C4' energy: -111.772 flat angles C4'-P-C4' energy: -140.095 flat angles P-C4'-P energy: -88.226 tors. eta vs tors. theta energy: -189.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -2064.878826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.878826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.878826 (E_RNA) where: Base-Base interactions energy: -1476.296 where: short stacking energy: -604.142 Base-Backbone interact. energy: 0.300 local terms energy: -588.882993 where: bonds (distance) C4'-P energy: -111.061 bonds (distance) P-C4' energy: -106.366 flat angles C4'-P-C4' energy: -110.087 flat angles P-C4'-P energy: -85.902 tors. eta vs tors. theta energy: -175.466 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: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1899.197311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.197311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.197311 (E_RNA) where: Base-Base interactions energy: -1334.719 where: short stacking energy: -549.279 Base-Backbone interact. energy: -1.614 local terms energy: -562.863999 where: bonds (distance) C4'-P energy: -96.566 bonds (distance) P-C4' energy: -104.582 flat angles C4'-P-C4' energy: -124.403 flat angles P-C4'-P energy: -83.173 tors. eta vs tors. theta energy: -154.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1080.722491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.722491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.722491 (E_RNA) where: Base-Base interactions energy: -658.438 where: short stacking energy: -288.203 Base-Backbone interact. energy: 4.776 local terms energy: -427.060686 where: bonds (distance) C4'-P energy: -121.475 bonds (distance) P-C4' energy: -103.976 flat angles C4'-P-C4' energy: -109.748 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -50.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2708.288278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.288278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.288278 (E_RNA) where: Base-Base interactions energy: -1921.070 where: short stacking energy: -802.639 Base-Backbone interact. energy: -0.640 local terms energy: -786.577707 where: bonds (distance) C4'-P energy: -127.667 bonds (distance) P-C4' energy: -126.183 flat angles C4'-P-C4' energy: -176.043 flat angles P-C4'-P energy: -111.900 tors. eta vs tors. theta energy: -244.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2594.808909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.808909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.808909 (E_RNA) where: Base-Base interactions energy: -1861.413 where: short stacking energy: -740.310 Base-Backbone interact. energy: -1.942 local terms energy: -731.453679 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -144.382 flat angles C4'-P-C4' energy: -157.924 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -217.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2571.559995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.559995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.559995 (E_RNA) where: Base-Base interactions energy: -1824.041 where: short stacking energy: -746.829 Base-Backbone interact. energy: -0.842 local terms energy: -746.677387 where: bonds (distance) C4'-P energy: -127.465 bonds (distance) P-C4' energy: -134.623 flat angles C4'-P-C4' energy: -137.943 flat angles P-C4'-P energy: -110.727 tors. eta vs tors. theta energy: -235.920 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: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2443.916670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.916670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.916670 (E_RNA) where: Base-Base interactions energy: -1732.316 where: short stacking energy: -737.327 Base-Backbone interact. energy: 0.641 local terms energy: -712.241642 where: bonds (distance) C4'-P energy: -112.773 bonds (distance) P-C4' energy: -123.174 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -100.859 tors. eta vs tors. theta energy: -234.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2434.275457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.275457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.275457 (E_RNA) where: Base-Base interactions energy: -1733.789 where: short stacking energy: -692.882 Base-Backbone interact. energy: -2.982 local terms energy: -697.504590 where: bonds (distance) C4'-P energy: -114.517 bonds (distance) P-C4' energy: -119.819 flat angles C4'-P-C4' energy: -160.013 flat angles P-C4'-P energy: -89.886 tors. eta vs tors. theta energy: -213.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2239.769420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.769420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.769420 (E_RNA) where: Base-Base interactions energy: -1588.627 where: short stacking energy: -658.635 Base-Backbone interact. energy: 1.366 local terms energy: -652.508695 where: bonds (distance) C4'-P energy: -114.144 bonds (distance) P-C4' energy: -123.571 flat angles C4'-P-C4' energy: -134.563 flat angles P-C4'-P energy: -90.605 tors. eta vs tors. theta energy: -189.627 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: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2091.469965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.469965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.469965 (E_RNA) where: Base-Base interactions energy: -1476.341 where: short stacking energy: -599.676 Base-Backbone interact. energy: 0.526 local terms energy: -615.655111 where: bonds (distance) C4'-P energy: -119.293 bonds (distance) P-C4' energy: -104.582 flat angles C4'-P-C4' energy: -114.356 flat angles P-C4'-P energy: -88.597 tors. eta vs tors. theta energy: -188.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2007.282439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.282439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.282439 (E_RNA) where: Base-Base interactions energy: -1408.574 where: short stacking energy: -571.704 Base-Backbone interact. energy: -2.981 local terms energy: -595.727367 where: bonds (distance) C4'-P energy: -100.109 bonds (distance) P-C4' energy: -115.280 flat angles C4'-P-C4' energy: -139.154 flat angles P-C4'-P energy: -73.054 tors. eta vs tors. theta energy: -168.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1945.246900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.246900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.246900 (E_RNA) where: Base-Base interactions energy: -1369.022 where: short stacking energy: -533.647 Base-Backbone interact. energy: -1.428 local terms energy: -574.797165 where: bonds (distance) C4'-P energy: -92.886 bonds (distance) P-C4' energy: -108.486 flat angles C4'-P-C4' energy: -128.575 flat angles P-C4'-P energy: -90.011 tors. eta vs tors. theta energy: -154.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1084.146582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.146582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.146582 (E_RNA) where: Base-Base interactions energy: -669.401 where: short stacking energy: -304.609 Base-Backbone interact. energy: 2.864 local terms energy: -417.609179 where: bonds (distance) C4'-P energy: -110.265 bonds (distance) P-C4' energy: -124.359 flat angles C4'-P-C4' energy: -78.571 flat angles P-C4'-P energy: -57.010 tors. eta vs tors. theta energy: -47.404 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: 408 Temperature: 0.900000 Total energy: -2698.076292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.076292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.076292 (E_RNA) where: Base-Base interactions energy: -1929.595 where: short stacking energy: -775.911 Base-Backbone interact. energy: -1.294 local terms energy: -767.187496 where: bonds (distance) C4'-P energy: -141.129 bonds (distance) P-C4' energy: -116.533 flat angles C4'-P-C4' energy: -155.057 flat angles P-C4'-P energy: -108.301 tors. eta vs tors. theta energy: -246.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2630.395246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.395246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.395246 (E_RNA) where: Base-Base interactions energy: -1865.281 where: short stacking energy: -734.621 Base-Backbone interact. energy: -1.757 local terms energy: -763.356510 where: bonds (distance) C4'-P energy: -122.727 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -159.497 flat angles P-C4'-P energy: -116.469 tors. eta vs tors. theta energy: -225.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2566.360324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.360324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.360324 (E_RNA) where: Base-Base interactions energy: -1803.538 where: short stacking energy: -729.714 Base-Backbone interact. energy: -1.572 local terms energy: -761.250393 where: bonds (distance) C4'-P energy: -119.782 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -164.291 flat angles P-C4'-P energy: -109.761 tors. eta vs tors. theta energy: -231.897 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: 408 Temperature: 1.050000 Total energy: -2425.763199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.763199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.763199 (E_RNA) where: Base-Base interactions energy: -1721.891 where: short stacking energy: -706.206 Base-Backbone interact. energy: 0.403 local terms energy: -704.275441 where: bonds (distance) C4'-P energy: -105.807 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -157.583 flat angles P-C4'-P energy: -99.507 tors. eta vs tors. theta energy: -218.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2414.257252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.257252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.257252 (E_RNA) where: Base-Base interactions energy: -1724.685 where: short stacking energy: -698.125 Base-Backbone interact. energy: -1.695 local terms energy: -687.877546 where: bonds (distance) C4'-P energy: -119.516 bonds (distance) P-C4' energy: -132.945 flat angles C4'-P-C4' energy: -143.956 flat angles P-C4'-P energy: -84.487 tors. eta vs tors. theta energy: -206.973 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: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2263.079236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.079236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.079236 (E_RNA) where: Base-Base interactions energy: -1630.067 where: short stacking energy: -663.809 Base-Backbone interact. energy: -2.883 local terms energy: -630.129301 where: bonds (distance) C4'-P energy: -92.343 bonds (distance) P-C4' energy: -103.455 flat angles C4'-P-C4' energy: -136.526 flat angles P-C4'-P energy: -88.478 tors. eta vs tors. theta energy: -209.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2138.427922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.427922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.427922 (E_RNA) where: Base-Base interactions energy: -1500.176 where: short stacking energy: -621.683 Base-Backbone interact. energy: -0.655 local terms energy: -637.597191 where: bonds (distance) C4'-P energy: -105.730 bonds (distance) P-C4' energy: -107.929 flat angles C4'-P-C4' energy: -134.272 flat angles P-C4'-P energy: -99.665 tors. eta vs tors. theta energy: -190.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -2000.574081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.574081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.574081 (E_RNA) where: Base-Base interactions energy: -1389.644 where: short stacking energy: -560.230 Base-Backbone interact. energy: -0.068 local terms energy: -610.862405 where: bonds (distance) C4'-P energy: -108.784 bonds (distance) P-C4' energy: -106.470 flat angles C4'-P-C4' energy: -129.682 flat angles P-C4'-P energy: -84.796 tors. eta vs tors. theta energy: -181.129 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: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1917.754847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.754847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.754847 (E_RNA) where: Base-Base interactions energy: -1356.006 where: short stacking energy: -533.396 Base-Backbone interact. energy: -1.623 local terms energy: -560.125812 where: bonds (distance) C4'-P energy: -111.527 bonds (distance) P-C4' energy: -110.113 flat angles C4'-P-C4' energy: -123.812 flat angles P-C4'-P energy: -63.901 tors. eta vs tors. theta energy: -150.771 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: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1086.757240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.757240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.757240 (E_RNA) where: Base-Base interactions energy: -642.388 where: short stacking energy: -293.531 Base-Backbone interact. energy: -2.362 local terms energy: -442.006536 where: bonds (distance) C4'-P energy: -101.761 bonds (distance) P-C4' energy: -126.992 flat angles C4'-P-C4' energy: -108.885 flat angles P-C4'-P energy: -51.329 tors. eta vs tors. theta energy: -53.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2701.097357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.097357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.097357 (E_RNA) where: Base-Base interactions energy: -1926.095 where: short stacking energy: -782.962 Base-Backbone interact. energy: -0.130 local terms energy: -774.872766 where: bonds (distance) C4'-P energy: -139.683 bonds (distance) P-C4' energy: -136.535 flat angles C4'-P-C4' energy: -153.712 flat angles P-C4'-P energy: -99.820 tors. eta vs tors. theta energy: -245.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2647.842042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.842042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.842042 (E_RNA) where: Base-Base interactions energy: -1897.461 where: short stacking energy: -745.813 Base-Backbone interact. energy: 0.264 local terms energy: -750.645363 where: bonds (distance) C4'-P energy: -117.220 bonds (distance) P-C4' energy: -126.009 flat angles C4'-P-C4' energy: -160.044 flat angles P-C4'-P energy: -108.478 tors. eta vs tors. theta energy: -238.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2548.515808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.515808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.515808 (E_RNA) where: Base-Base interactions energy: -1803.361 where: short stacking energy: -750.528 Base-Backbone interact. energy: -1.914 local terms energy: -743.240256 where: bonds (distance) C4'-P energy: -134.331 bonds (distance) P-C4' energy: -134.860 flat angles C4'-P-C4' energy: -143.248 flat angles P-C4'-P energy: -102.748 tors. eta vs tors. theta energy: -228.053 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: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2473.894146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.894146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.894146 (E_RNA) where: Base-Base interactions energy: -1771.883 where: short stacking energy: -696.816 Base-Backbone interact. energy: -4.666 local terms energy: -697.345445 where: bonds (distance) C4'-P energy: -119.595 bonds (distance) P-C4' energy: -123.452 flat angles C4'-P-C4' energy: -138.101 flat angles P-C4'-P energy: -94.864 tors. eta vs tors. theta energy: -221.334 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: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2403.913637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.913637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.913637 (E_RNA) where: Base-Base interactions energy: -1706.747 where: short stacking energy: -719.247 Base-Backbone interact. energy: -1.088 local terms energy: -696.078544 where: bonds (distance) C4'-P energy: -112.128 bonds (distance) P-C4' energy: -115.531 flat angles C4'-P-C4' energy: -143.704 flat angles P-C4'-P energy: -90.459 tors. eta vs tors. theta energy: -234.257 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: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2259.324225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.324225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.324225 (E_RNA) where: Base-Base interactions energy: -1605.289 where: short stacking energy: -651.393 Base-Backbone interact. energy: 0.143 local terms energy: -654.177317 where: bonds (distance) C4'-P energy: -114.798 bonds (distance) P-C4' energy: -112.033 flat angles C4'-P-C4' energy: -138.855 flat angles P-C4'-P energy: -91.752 tors. eta vs tors. theta energy: -196.739 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: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2170.007513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.007513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.007513 (E_RNA) where: Base-Base interactions energy: -1500.711 where: short stacking energy: -633.793 Base-Backbone interact. energy: -0.111 local terms energy: -669.185522 where: bonds (distance) C4'-P energy: -110.861 bonds (distance) P-C4' energy: -123.790 flat angles C4'-P-C4' energy: -142.235 flat angles P-C4'-P energy: -97.780 tors. eta vs tors. theta energy: -194.520 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: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2073.821516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.821516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.821516 (E_RNA) where: Base-Base interactions energy: -1469.053 where: short stacking energy: -607.160 Base-Backbone interact. energy: -0.512 local terms energy: -604.256461 where: bonds (distance) C4'-P energy: -102.242 bonds (distance) P-C4' energy: -130.450 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -70.307 tors. eta vs tors. theta energy: -186.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1874.677111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.677111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.677111 (E_RNA) where: Base-Base interactions energy: -1297.847 where: short stacking energy: -546.574 Base-Backbone interact. energy: -1.216 local terms energy: -575.614133 where: bonds (distance) C4'-P energy: -97.758 bonds (distance) P-C4' energy: -122.373 flat angles C4'-P-C4' energy: -119.312 flat angles P-C4'-P energy: -63.527 tors. eta vs tors. theta energy: -172.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1094.757471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.757471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.757471 (E_RNA) where: Base-Base interactions energy: -666.835 where: short stacking energy: -321.819 Base-Backbone interact. energy: -5.435 local terms energy: -422.487532 where: bonds (distance) C4'-P energy: -84.305 bonds (distance) P-C4' energy: -107.404 flat angles C4'-P-C4' energy: -115.320 flat angles P-C4'-P energy: -49.745 tors. eta vs tors. theta energy: -65.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2716.043591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.043591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.043591 (E_RNA) where: Base-Base interactions energy: -1939.102 where: short stacking energy: -797.349 Base-Backbone interact. energy: 0.180 local terms energy: -777.121897 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -136.627 flat angles C4'-P-C4' energy: -158.913 flat angles P-C4'-P energy: -104.836 tors. eta vs tors. theta energy: -243.805 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: 9 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2628.464374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.464374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.464374 (E_RNA) where: Base-Base interactions energy: -1883.401 where: short stacking energy: -735.964 Base-Backbone interact. energy: -0.170 local terms energy: -744.893044 where: bonds (distance) C4'-P energy: -134.783 bonds (distance) P-C4' energy: -133.797 flat angles C4'-P-C4' energy: -149.409 flat angles P-C4'-P energy: -108.635 tors. eta vs tors. theta energy: -218.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2543.161709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.161709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.161709 (E_RNA) where: Base-Base interactions energy: -1812.734 where: short stacking energy: -749.713 Base-Backbone interact. energy: -1.966 local terms energy: -728.461556 where: bonds (distance) C4'-P energy: -112.631 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -148.959 flat angles P-C4'-P energy: -97.955 tors. eta vs tors. theta energy: -236.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2490.915451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.915451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.915451 (E_RNA) where: Base-Base interactions energy: -1803.192 where: short stacking energy: -713.848 Base-Backbone interact. energy: -0.276 local terms energy: -687.447362 where: bonds (distance) C4'-P energy: -108.340 bonds (distance) P-C4' energy: -127.905 flat angles C4'-P-C4' energy: -150.018 flat angles P-C4'-P energy: -86.998 tors. eta vs tors. theta energy: -214.186 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: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2372.556037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.556037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.556037 (E_RNA) where: Base-Base interactions energy: -1653.401 where: short stacking energy: -690.810 Base-Backbone interact. energy: -2.905 local terms energy: -716.249812 where: bonds (distance) C4'-P energy: -129.683 bonds (distance) P-C4' energy: -123.717 flat angles C4'-P-C4' energy: -153.710 flat angles P-C4'-P energy: -94.931 tors. eta vs tors. theta energy: -214.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2272.270165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.270165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.270165 (E_RNA) where: Base-Base interactions energy: -1622.296 where: short stacking energy: -682.028 Base-Backbone interact. energy: -0.723 local terms energy: -649.250654 where: bonds (distance) C4'-P energy: -105.361 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -141.210 flat angles P-C4'-P energy: -89.662 tors. eta vs tors. theta energy: -207.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2163.022156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.022156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.022156 (E_RNA) where: Base-Base interactions energy: -1504.567 where: short stacking energy: -604.923 Base-Backbone interact. energy: -1.757 local terms energy: -656.698078 where: bonds (distance) C4'-P energy: -111.786 bonds (distance) P-C4' energy: -116.374 flat angles C4'-P-C4' energy: -140.147 flat angles P-C4'-P energy: -91.912 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: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -2006.693976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.693976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.693976 (E_RNA) where: Base-Base interactions energy: -1419.906 where: short stacking energy: -596.783 Base-Backbone interact. energy: -2.372 local terms energy: -584.415758 where: bonds (distance) C4'-P energy: -109.434 bonds (distance) P-C4' energy: -84.825 flat angles C4'-P-C4' energy: -126.923 flat angles P-C4'-P energy: -85.302 tors. eta vs tors. theta energy: -177.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1918.233677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.233677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.233677 (E_RNA) where: Base-Base interactions energy: -1356.179 where: short stacking energy: -530.074 Base-Backbone interact. energy: -1.446 local terms energy: -560.608777 where: bonds (distance) C4'-P energy: -96.118 bonds (distance) P-C4' energy: -90.519 flat angles C4'-P-C4' energy: -123.345 flat angles P-C4'-P energy: -87.095 tors. eta vs tors. theta energy: -163.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1086.910980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.910980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.910980 (E_RNA) where: Base-Base interactions energy: -662.977 where: short stacking energy: -306.511 Base-Backbone interact. energy: 2.019 local terms energy: -425.953057 where: bonds (distance) C4'-P energy: -100.504 bonds (distance) P-C4' energy: -96.653 flat angles C4'-P-C4' energy: -117.792 flat angles P-C4'-P energy: -68.684 tors. eta vs tors. theta energy: -42.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2677.301143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.301143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.301143 (E_RNA) where: Base-Base interactions energy: -1898.506 where: short stacking energy: -789.782 Base-Backbone interact. energy: -1.975 local terms energy: -776.820503 where: bonds (distance) C4'-P energy: -133.407 bonds (distance) P-C4' energy: -143.012 flat angles C4'-P-C4' energy: -163.027 flat angles P-C4'-P energy: -96.894 tors. eta vs tors. theta energy: -240.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2625.611652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.611652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.611652 (E_RNA) where: Base-Base interactions energy: -1875.657 where: short stacking energy: -730.972 Base-Backbone interact. energy: -2.326 local terms energy: -747.628394 where: bonds (distance) C4'-P energy: -131.513 bonds (distance) P-C4' energy: -134.433 flat angles C4'-P-C4' energy: -156.275 flat angles P-C4'-P energy: -106.632 tors. eta vs tors. theta energy: -218.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2558.290824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.290824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.290824 (E_RNA) where: Base-Base interactions energy: -1804.704 where: short stacking energy: -748.914 Base-Backbone interact. energy: -0.608 local terms energy: -752.978388 where: bonds (distance) C4'-P energy: -116.453 bonds (distance) P-C4' energy: -142.196 flat angles C4'-P-C4' energy: -158.989 flat angles P-C4'-P energy: -110.321 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: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2486.868482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.868482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.868482 (E_RNA) where: Base-Base interactions energy: -1769.496 where: short stacking energy: -702.054 Base-Backbone interact. energy: -0.921 local terms energy: -716.451957 where: bonds (distance) C4'-P energy: -109.528 bonds (distance) P-C4' energy: -130.985 flat angles C4'-P-C4' energy: -158.238 flat angles P-C4'-P energy: -97.791 tors. eta vs tors. theta energy: -219.910 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: 411 Temperature: 1.100000 Total energy: -2406.203951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.203951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.203951 (E_RNA) where: Base-Base interactions energy: -1707.219 where: short stacking energy: -698.812 Base-Backbone interact. energy: 2.964 local terms energy: -701.949885 where: bonds (distance) C4'-P energy: -115.531 bonds (distance) P-C4' energy: -116.195 flat angles C4'-P-C4' energy: -140.564 flat angles P-C4'-P energy: -101.846 tors. eta vs tors. theta energy: -227.815 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: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2246.576697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.576697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.576697 (E_RNA) where: Base-Base interactions energy: -1594.163 where: short stacking energy: -662.322 Base-Backbone interact. energy: -0.713 local terms energy: -651.701586 where: bonds (distance) C4'-P energy: -94.197 bonds (distance) P-C4' energy: -116.349 flat angles C4'-P-C4' energy: -138.695 flat angles P-C4'-P energy: -93.984 tors. eta vs tors. theta energy: -208.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2176.094142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.094142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.094142 (E_RNA) where: Base-Base interactions energy: -1537.064 where: short stacking energy: -643.455 Base-Backbone interact. energy: -1.669 local terms energy: -637.361236 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -106.612 flat angles C4'-P-C4' energy: -146.107 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -192.857 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: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1994.753169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.753169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.753169 (E_RNA) where: Base-Base interactions energy: -1379.529 where: short stacking energy: -595.755 Base-Backbone interact. energy: -3.593 local terms energy: -611.631383 where: bonds (distance) C4'-P energy: -116.330 bonds (distance) P-C4' energy: -109.360 flat angles C4'-P-C4' energy: -128.128 flat angles P-C4'-P energy: -86.795 tors. eta vs tors. theta energy: -171.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1928.752617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.752617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.752617 (E_RNA) where: Base-Base interactions energy: -1378.877 where: short stacking energy: -549.781 Base-Backbone interact. energy: 0.179 local terms energy: -550.054255 where: bonds (distance) C4'-P energy: -106.601 bonds (distance) P-C4' energy: -91.798 flat angles C4'-P-C4' energy: -118.822 flat angles P-C4'-P energy: -77.700 tors. eta vs tors. theta energy: -155.133 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: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1089.168755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.168755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.168755 (E_RNA) where: Base-Base interactions energy: -668.709 where: short stacking energy: -329.864 Base-Backbone interact. energy: 2.351 local terms energy: -422.809898 where: bonds (distance) C4'-P energy: -95.892 bonds (distance) P-C4' energy: -121.372 flat angles C4'-P-C4' energy: -111.505 flat angles P-C4'-P energy: -46.274 tors. eta vs tors. theta energy: -47.768 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: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2681.401565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.401565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.401565 (E_RNA) where: Base-Base interactions energy: -1886.242 where: short stacking energy: -757.257 Base-Backbone interact. energy: 1.732 local terms energy: -796.891280 where: bonds (distance) C4'-P energy: -140.525 bonds (distance) P-C4' energy: -141.253 flat angles C4'-P-C4' energy: -159.988 flat angles P-C4'-P energy: -115.147 tors. eta vs tors. theta energy: -239.979 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: 9 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2614.238223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.238223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.238223 (E_RNA) where: Base-Base interactions energy: -1863.986 where: short stacking energy: -727.014 Base-Backbone interact. energy: -2.205 local terms energy: -748.046615 where: bonds (distance) C4'-P energy: -135.401 bonds (distance) P-C4' energy: -129.832 flat angles C4'-P-C4' energy: -153.818 flat angles P-C4'-P energy: -98.940 tors. eta vs tors. theta energy: -230.055 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: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2582.774219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.774219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.774219 (E_RNA) where: Base-Base interactions energy: -1825.762 where: short stacking energy: -757.297 Base-Backbone interact. energy: -3.802 local terms energy: -753.209454 where: bonds (distance) C4'-P energy: -115.525 bonds (distance) P-C4' energy: -137.078 flat angles C4'-P-C4' energy: -157.963 flat angles P-C4'-P energy: -107.952 tors. eta vs tors. theta energy: -234.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2465.913853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.913853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.913853 (E_RNA) where: Base-Base interactions energy: -1751.858 where: short stacking energy: -720.946 Base-Backbone interact. energy: -2.705 local terms energy: -711.350409 where: bonds (distance) C4'-P energy: -110.449 bonds (distance) P-C4' energy: -132.323 flat angles C4'-P-C4' energy: -156.229 flat angles P-C4'-P energy: -94.404 tors. eta vs tors. theta energy: -217.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2301.829619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.829619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.829619 (E_RNA) where: Base-Base interactions energy: -1632.943 where: short stacking energy: -680.728 Base-Backbone interact. energy: 1.241 local terms energy: -670.127624 where: bonds (distance) C4'-P energy: -115.327 bonds (distance) P-C4' energy: -121.049 flat angles C4'-P-C4' energy: -135.237 flat angles P-C4'-P energy: -95.915 tors. eta vs tors. theta energy: -202.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2357.079821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.079821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.079821 (E_RNA) where: Base-Base interactions energy: -1680.890 where: short stacking energy: -694.241 Base-Backbone interact. energy: 3.365 local terms energy: -679.554836 where: bonds (distance) C4'-P energy: -96.857 bonds (distance) P-C4' energy: -136.796 flat angles C4'-P-C4' energy: -140.983 flat angles P-C4'-P energy: -89.772 tors. eta vs tors. theta energy: -215.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2230.767420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.767420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.767420 (E_RNA) where: Base-Base interactions energy: -1581.141 where: short stacking energy: -653.054 Base-Backbone interact. energy: -1.244 local terms energy: -648.381606 where: bonds (distance) C4'-P energy: -109.284 bonds (distance) P-C4' energy: -118.938 flat angles C4'-P-C4' energy: -131.291 flat angles P-C4'-P energy: -82.973 tors. eta vs tors. theta energy: -205.896 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: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1924.188749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.188749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.188749 (E_RNA) where: Base-Base interactions energy: -1338.818 where: short stacking energy: -568.502 Base-Backbone interact. energy: -1.806 local terms energy: -583.565221 where: bonds (distance) C4'-P energy: -99.985 bonds (distance) P-C4' energy: -110.735 flat angles C4'-P-C4' energy: -124.989 flat angles P-C4'-P energy: -82.051 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: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1930.348157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.348157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.348157 (E_RNA) where: Base-Base interactions energy: -1365.829 where: short stacking energy: -543.671 Base-Backbone interact. energy: -1.576 local terms energy: -562.943420 where: bonds (distance) C4'-P energy: -110.318 bonds (distance) P-C4' energy: -93.867 flat angles C4'-P-C4' energy: -113.608 flat angles P-C4'-P energy: -83.804 tors. eta vs tors. theta energy: -161.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1094.700118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.700118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.700118 (E_RNA) where: Base-Base interactions energy: -703.990 where: short stacking energy: -316.067 Base-Backbone interact. energy: 3.457 local terms energy: -394.167032 where: bonds (distance) C4'-P energy: -92.871 bonds (distance) P-C4' energy: -102.765 flat angles C4'-P-C4' energy: -104.574 flat angles P-C4'-P energy: -55.177 tors. eta vs tors. theta energy: -38.779 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: 413 Temperature: 0.900000 Total energy: -2697.643036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.643036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.643036 (E_RNA) where: Base-Base interactions energy: -1909.198 where: short stacking energy: -784.568 Base-Backbone interact. energy: -1.497 local terms energy: -786.948020 where: bonds (distance) C4'-P energy: -140.225 bonds (distance) P-C4' energy: -126.594 flat angles C4'-P-C4' energy: -158.526 flat angles P-C4'-P energy: -114.779 tors. eta vs tors. theta energy: -246.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2625.647371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.647371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.647371 (E_RNA) where: Base-Base interactions energy: -1854.105 where: short stacking energy: -755.043 Base-Backbone interact. energy: -3.910 local terms energy: -767.632631 where: bonds (distance) C4'-P energy: -127.984 bonds (distance) P-C4' energy: -137.479 flat angles C4'-P-C4' energy: -165.030 flat angles P-C4'-P energy: -103.905 tors. eta vs tors. theta energy: -233.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2571.909237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.909237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.909237 (E_RNA) where: Base-Base interactions energy: -1831.041 where: short stacking energy: -722.855 Base-Backbone interact. energy: -1.842 local terms energy: -739.026268 where: bonds (distance) C4'-P energy: -135.683 bonds (distance) P-C4' energy: -134.785 flat angles C4'-P-C4' energy: -156.929 flat angles P-C4'-P energy: -96.153 tors. eta vs tors. theta energy: -215.476 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: 413 Temperature: 1.050000 Total energy: -2499.014690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.014690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.014690 (E_RNA) where: Base-Base interactions energy: -1777.743 where: short stacking energy: -713.595 Base-Backbone interact. energy: 0.856 local terms energy: -722.128194 where: bonds (distance) C4'-P energy: -116.064 bonds (distance) P-C4' energy: -129.229 flat angles C4'-P-C4' energy: -158.124 flat angles P-C4'-P energy: -105.284 tors. eta vs tors. theta energy: -213.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2335.967887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.967887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.967887 (E_RNA) where: Base-Base interactions energy: -1651.585 where: short stacking energy: -678.639 Base-Backbone interact. energy: -3.123 local terms energy: -681.260055 where: bonds (distance) C4'-P energy: -115.388 bonds (distance) P-C4' energy: -110.568 flat angles C4'-P-C4' energy: -155.747 flat angles P-C4'-P energy: -94.396 tors. eta vs tors. theta energy: -205.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2284.901675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.901675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.901675 (E_RNA) where: Base-Base interactions energy: -1602.475 where: short stacking energy: -656.350 Base-Backbone interact. energy: -1.089 local terms energy: -681.337855 where: bonds (distance) C4'-P energy: -117.997 bonds (distance) P-C4' energy: -115.619 flat angles C4'-P-C4' energy: -147.963 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -211.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2188.347966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.347966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.347966 (E_RNA) where: Base-Base interactions energy: -1559.723 where: short stacking energy: -633.972 Base-Backbone interact. energy: 1.938 local terms energy: -630.562327 where: bonds (distance) C4'-P energy: -101.279 bonds (distance) P-C4' energy: -110.337 flat angles C4'-P-C4' energy: -130.225 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -191.284 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: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1958.198392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.198392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.198392 (E_RNA) where: Base-Base interactions energy: -1364.458 where: short stacking energy: -563.109 Base-Backbone interact. energy: 1.128 local terms energy: -594.868271 where: bonds (distance) C4'-P energy: -112.175 bonds (distance) P-C4' energy: -120.129 flat angles C4'-P-C4' energy: -127.153 flat angles P-C4'-P energy: -88.278 tors. eta vs tors. theta energy: -147.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1855.108132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.108132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.108132 (E_RNA) where: Base-Base interactions energy: -1299.569 where: short stacking energy: -509.364 Base-Backbone interact. energy: 1.775 local terms energy: -557.313859 where: bonds (distance) C4'-P energy: -109.023 bonds (distance) P-C4' energy: -115.468 flat angles C4'-P-C4' energy: -123.370 flat angles P-C4'-P energy: -79.139 tors. eta vs tors. theta energy: -130.314 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: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1111.657638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.657638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.657638 (E_RNA) where: Base-Base interactions energy: -682.129 where: short stacking energy: -305.094 Base-Backbone interact. energy: 2.124 local terms energy: -431.652856 where: bonds (distance) C4'-P energy: -99.600 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -107.056 flat angles P-C4'-P energy: -68.441 tors. eta vs tors. theta energy: -35.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2653.683116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.683116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.683116 (E_RNA) where: Base-Base interactions energy: -1878.244 where: short stacking energy: -774.193 Base-Backbone interact. energy: -3.114 local terms energy: -772.325215 where: bonds (distance) C4'-P energy: -152.117 bonds (distance) P-C4' energy: -134.739 flat angles C4'-P-C4' energy: -153.541 flat angles P-C4'-P energy: -102.703 tors. eta vs tors. theta energy: -229.225 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: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2656.835084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.835084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.835084 (E_RNA) where: Base-Base interactions energy: -1894.838 where: short stacking energy: -771.283 Base-Backbone interact. energy: -1.105 local terms energy: -760.891520 where: bonds (distance) C4'-P energy: -130.271 bonds (distance) P-C4' energy: -123.869 flat angles C4'-P-C4' energy: -160.786 flat angles P-C4'-P energy: -103.106 tors. eta vs tors. theta energy: -242.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2596.474227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.474227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.474227 (E_RNA) where: Base-Base interactions energy: -1864.459 where: short stacking energy: -746.078 Base-Backbone interact. energy: 0.512 local terms energy: -732.527258 where: bonds (distance) C4'-P energy: -130.498 bonds (distance) P-C4' energy: -119.354 flat angles C4'-P-C4' energy: -150.687 flat angles P-C4'-P energy: -104.004 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: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2510.336421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.336421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.336421 (E_RNA) where: Base-Base interactions energy: -1799.470 where: short stacking energy: -734.901 Base-Backbone interact. energy: -3.813 local terms energy: -707.053336 where: bonds (distance) C4'-P energy: -129.215 bonds (distance) P-C4' energy: -115.777 flat angles C4'-P-C4' energy: -150.003 flat angles P-C4'-P energy: -95.905 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: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2332.853927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.853927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.853927 (E_RNA) where: Base-Base interactions energy: -1661.748 where: short stacking energy: -684.562 Base-Backbone interact. energy: 0.199 local terms energy: -671.305684 where: bonds (distance) C4'-P energy: -118.294 bonds (distance) P-C4' energy: -122.180 flat angles C4'-P-C4' energy: -141.182 flat angles P-C4'-P energy: -89.424 tors. eta vs tors. theta energy: -200.225 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: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2314.436053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.436053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.436053 (E_RNA) where: Base-Base interactions energy: -1688.381 where: short stacking energy: -688.526 Base-Backbone interact. energy: 1.157 local terms energy: -627.212294 where: bonds (distance) C4'-P energy: -93.419 bonds (distance) P-C4' energy: -102.437 flat angles C4'-P-C4' energy: -144.200 flat angles P-C4'-P energy: -79.427 tors. eta vs tors. theta energy: -207.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2154.502614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.502614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.502614 (E_RNA) where: Base-Base interactions energy: -1497.677 where: short stacking energy: -596.860 Base-Backbone interact. energy: -1.061 local terms energy: -655.764589 where: bonds (distance) C4'-P energy: -111.933 bonds (distance) P-C4' energy: -126.182 flat angles C4'-P-C4' energy: -143.309 flat angles P-C4'-P energy: -93.651 tors. eta vs tors. theta energy: -180.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1961.280158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.280158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.280158 (E_RNA) where: Base-Base interactions energy: -1377.812 where: short stacking energy: -568.721 Base-Backbone interact. energy: 2.276 local terms energy: -585.744005 where: bonds (distance) C4'-P energy: -105.401 bonds (distance) P-C4' energy: -96.994 flat angles C4'-P-C4' energy: -131.845 flat angles P-C4'-P energy: -85.319 tors. eta vs tors. theta energy: -166.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1870.933137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.933137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.933137 (E_RNA) where: Base-Base interactions energy: -1301.899 where: short stacking energy: -527.204 Base-Backbone interact. energy: -1.102 local terms energy: -567.932432 where: bonds (distance) C4'-P energy: -100.935 bonds (distance) P-C4' energy: -120.493 flat angles C4'-P-C4' energy: -130.410 flat angles P-C4'-P energy: -80.607 tors. eta vs tors. theta energy: -135.488 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: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1072.766861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.766861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.766861 (E_RNA) where: Base-Base interactions energy: -653.509 where: short stacking energy: -298.970 Base-Backbone interact. energy: -3.741 local terms energy: -415.517565 where: bonds (distance) C4'-P energy: -94.487 bonds (distance) P-C4' energy: -115.082 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -53.314 tors. eta vs tors. theta energy: -57.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2638.917131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.917131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.917131 (E_RNA) where: Base-Base interactions energy: -1871.544 where: short stacking energy: -769.331 Base-Backbone interact. energy: -2.232 local terms energy: -765.141395 where: bonds (distance) C4'-P energy: -131.281 bonds (distance) P-C4' energy: -141.820 flat angles C4'-P-C4' energy: -158.141 flat angles P-C4'-P energy: -99.997 tors. eta vs tors. theta energy: -233.903 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: 2, replica: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2670.911596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.911596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.911596 (E_RNA) where: Base-Base interactions energy: -1897.160 where: short stacking energy: -757.850 Base-Backbone interact. energy: -1.557 local terms energy: -772.193970 where: bonds (distance) C4'-P energy: -136.406 bonds (distance) P-C4' energy: -141.460 flat angles C4'-P-C4' energy: -159.871 flat angles P-C4'-P energy: -96.558 tors. eta vs tors. theta energy: -237.899 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: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2623.736532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.736532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.736532 (E_RNA) where: Base-Base interactions energy: -1851.725 where: short stacking energy: -785.905 Base-Backbone interact. energy: -1.100 local terms energy: -770.912103 where: bonds (distance) C4'-P energy: -129.252 bonds (distance) P-C4' energy: -125.738 flat angles C4'-P-C4' energy: -161.535 flat angles P-C4'-P energy: -108.361 tors. eta vs tors. theta energy: -246.026 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: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2500.426387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.426387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.426387 (E_RNA) where: Base-Base interactions energy: -1780.919 where: short stacking energy: -711.374 Base-Backbone interact. energy: -3.150 local terms energy: -716.357515 where: bonds (distance) C4'-P energy: -119.939 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -152.741 flat angles P-C4'-P energy: -101.074 tors. eta vs tors. theta energy: -213.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2331.175703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.175703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.175703 (E_RNA) where: Base-Base interactions energy: -1658.884 where: short stacking energy: -662.591 Base-Backbone interact. energy: -2.100 local terms energy: -670.192209 where: bonds (distance) C4'-P energy: -117.377 bonds (distance) P-C4' energy: -114.513 flat angles C4'-P-C4' energy: -143.105 flat angles P-C4'-P energy: -93.754 tors. eta vs tors. theta energy: -201.443 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: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2312.727356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.727356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.727356 (E_RNA) where: Base-Base interactions energy: -1634.622 where: short stacking energy: -686.440 Base-Backbone interact. energy: -1.496 local terms energy: -676.608958 where: bonds (distance) C4'-P energy: -97.728 bonds (distance) P-C4' energy: -126.794 flat angles C4'-P-C4' energy: -148.596 flat angles P-C4'-P energy: -89.816 tors. eta vs tors. theta energy: -213.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2157.201037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.201037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.201037 (E_RNA) where: Base-Base interactions energy: -1517.127 where: short stacking energy: -609.838 Base-Backbone interact. energy: -1.793 local terms energy: -638.281155 where: bonds (distance) C4'-P energy: -117.481 bonds (distance) P-C4' energy: -105.071 flat angles C4'-P-C4' energy: -136.761 flat angles P-C4'-P energy: -91.935 tors. eta vs tors. theta energy: -187.033 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: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1861.805644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.805644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.805644 (E_RNA) where: Base-Base interactions energy: -1327.581 where: short stacking energy: -541.819 Base-Backbone interact. energy: -1.762 local terms energy: -532.462857 where: bonds (distance) C4'-P energy: -101.462 bonds (distance) P-C4' energy: -126.147 flat angles C4'-P-C4' energy: -113.588 flat angles P-C4'-P energy: -60.256 tors. eta vs tors. theta energy: -131.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1833.965831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.965831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.965831 (E_RNA) where: Base-Base interactions energy: -1275.077 where: short stacking energy: -521.312 Base-Backbone interact. energy: -0.149 local terms energy: -558.740004 where: bonds (distance) C4'-P energy: -103.101 bonds (distance) P-C4' energy: -110.956 flat angles C4'-P-C4' energy: -119.341 flat angles P-C4'-P energy: -76.211 tors. eta vs tors. theta energy: -149.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1183.369809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.369809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.369809 (E_RNA) where: Base-Base interactions energy: -759.265 where: short stacking energy: -331.314 Base-Backbone interact. energy: 0.308 local terms energy: -424.412741 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -84.061 flat angles C4'-P-C4' energy: -91.665 flat angles P-C4'-P energy: -73.975 tors. eta vs tors. theta energy: -57.926 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: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2698.902282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.902282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.902282 (E_RNA) where: Base-Base interactions energy: -1925.598 where: short stacking energy: -767.999 Base-Backbone interact. energy: -2.880 local terms energy: -770.424761 where: bonds (distance) C4'-P energy: -130.819 bonds (distance) P-C4' energy: -143.387 flat angles C4'-P-C4' energy: -159.796 flat angles P-C4'-P energy: -106.928 tors. eta vs tors. theta energy: -229.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2617.453806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.453806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.453806 (E_RNA) where: Base-Base interactions energy: -1844.565 where: short stacking energy: -762.892 Base-Backbone interact. energy: -0.269 local terms energy: -772.619288 where: bonds (distance) C4'-P energy: -130.231 bonds (distance) P-C4' energy: -137.357 flat angles C4'-P-C4' energy: -166.519 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -236.559 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: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2599.297443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.297443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.297443 (E_RNA) where: Base-Base interactions energy: -1857.443 where: short stacking energy: -740.878 Base-Backbone interact. energy: -1.915 local terms energy: -739.939063 where: bonds (distance) C4'-P energy: -123.345 bonds (distance) P-C4' energy: -123.008 flat angles C4'-P-C4' energy: -146.095 flat angles P-C4'-P energy: -111.626 tors. eta vs tors. theta energy: -235.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2475.595570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.595570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.595570 (E_RNA) where: Base-Base interactions energy: -1753.943 where: short stacking energy: -728.702 Base-Backbone interact. energy: -0.234 local terms energy: -721.418540 where: bonds (distance) C4'-P energy: -120.332 bonds (distance) P-C4' energy: -134.754 flat angles C4'-P-C4' energy: -163.400 flat angles P-C4'-P energy: -97.953 tors. eta vs tors. theta energy: -204.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2369.527256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.527256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.527256 (E_RNA) where: Base-Base interactions energy: -1685.567 where: short stacking energy: -716.643 Base-Backbone interact. energy: -2.922 local terms energy: -681.037941 where: bonds (distance) C4'-P energy: -108.097 bonds (distance) P-C4' energy: -110.882 flat angles C4'-P-C4' energy: -156.564 flat angles P-C4'-P energy: -89.928 tors. eta vs tors. theta energy: -215.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2296.755374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.755374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.755374 (E_RNA) where: Base-Base interactions energy: -1637.337 where: short stacking energy: -674.918 Base-Backbone interact. energy: 0.146 local terms energy: -659.563947 where: bonds (distance) C4'-P energy: -117.323 bonds (distance) P-C4' energy: -106.868 flat angles C4'-P-C4' energy: -144.264 flat angles P-C4'-P energy: -93.238 tors. eta vs tors. theta energy: -197.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2222.798682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.798682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.798682 (E_RNA) where: Base-Base interactions energy: -1583.969 where: short stacking energy: -673.977 Base-Backbone interact. energy: -0.780 local terms energy: -638.049615 where: bonds (distance) C4'-P energy: -99.187 bonds (distance) P-C4' energy: -112.566 flat angles C4'-P-C4' energy: -143.220 flat angles P-C4'-P energy: -82.486 tors. eta vs tors. theta energy: -200.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1926.855962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.855962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.855962 (E_RNA) where: Base-Base interactions energy: -1350.410 where: short stacking energy: -553.716 Base-Backbone interact. energy: 1.912 local terms energy: -578.357301 where: bonds (distance) C4'-P energy: -107.519 bonds (distance) P-C4' energy: -124.383 flat angles C4'-P-C4' energy: -118.524 flat angles P-C4'-P energy: -72.596 tors. eta vs tors. theta energy: -155.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1757.467338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.467338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.467338 (E_RNA) where: Base-Base interactions energy: -1192.063 where: short stacking energy: -479.057 Base-Backbone interact. energy: -2.557 local terms energy: -562.846940 where: bonds (distance) C4'-P energy: -84.173 bonds (distance) P-C4' energy: -117.334 flat angles C4'-P-C4' energy: -139.425 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -146.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1137.163694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.163694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.163694 (E_RNA) where: Base-Base interactions energy: -675.429 where: short stacking energy: -315.626 Base-Backbone interact. energy: 0.858 local terms energy: -462.592586 where: bonds (distance) C4'-P energy: -97.965 bonds (distance) P-C4' energy: -127.391 flat angles C4'-P-C4' energy: -91.886 flat angles P-C4'-P energy: -76.942 tors. eta vs tors. theta energy: -68.408 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: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2689.231020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.231020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.231020 (E_RNA) where: Base-Base interactions energy: -1914.744 where: short stacking energy: -758.907 Base-Backbone interact. energy: -1.141 local terms energy: -773.345832 where: bonds (distance) C4'-P energy: -133.030 bonds (distance) P-C4' energy: -136.569 flat angles C4'-P-C4' energy: -161.618 flat angles P-C4'-P energy: -108.806 tors. eta vs tors. theta energy: -233.323 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2641.596474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.596474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.596474 (E_RNA) where: Base-Base interactions energy: -1871.157 where: short stacking energy: -766.348 Base-Backbone interact. energy: -2.881 local terms energy: -767.558219 where: bonds (distance) C4'-P energy: -121.644 bonds (distance) P-C4' energy: -132.517 flat angles C4'-P-C4' energy: -157.481 flat angles P-C4'-P energy: -115.268 tors. eta vs tors. theta energy: -240.649 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: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2568.705351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.705351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.705351 (E_RNA) where: Base-Base interactions energy: -1819.143 where: short stacking energy: -745.009 Base-Backbone interact. energy: -1.447 local terms energy: -748.115321 where: bonds (distance) C4'-P energy: -123.896 bonds (distance) P-C4' energy: -132.938 flat angles C4'-P-C4' energy: -153.370 flat angles P-C4'-P energy: -94.528 tors. eta vs tors. theta energy: -243.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2496.413234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.413234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.413234 (E_RNA) where: Base-Base interactions energy: -1744.667 where: short stacking energy: -714.551 Base-Backbone interact. energy: -3.114 local terms energy: -748.632577 where: bonds (distance) C4'-P energy: -126.527 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -163.564 flat angles P-C4'-P energy: -112.669 tors. eta vs tors. theta energy: -212.442 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: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2343.353797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.353797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.353797 (E_RNA) where: Base-Base interactions energy: -1659.741 where: short stacking energy: -689.720 Base-Backbone interact. energy: 5.889 local terms energy: -689.501887 where: bonds (distance) C4'-P energy: -116.679 bonds (distance) P-C4' energy: -119.866 flat angles C4'-P-C4' energy: -154.318 flat angles P-C4'-P energy: -82.387 tors. eta vs tors. theta energy: -216.252 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: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2271.346008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.346008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.346008 (E_RNA) where: Base-Base interactions energy: -1591.037 where: short stacking energy: -650.108 Base-Backbone interact. energy: -1.533 local terms energy: -678.775683 where: bonds (distance) C4'-P energy: -97.419 bonds (distance) P-C4' energy: -123.201 flat angles C4'-P-C4' energy: -148.478 flat angles P-C4'-P energy: -105.029 tors. eta vs tors. theta energy: -204.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2288.940960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.940960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.940960 (E_RNA) where: Base-Base interactions energy: -1636.173 where: short stacking energy: -656.717 Base-Backbone interact. energy: -1.611 local terms energy: -651.157432 where: bonds (distance) C4'-P energy: -97.236 bonds (distance) P-C4' energy: -121.047 flat angles C4'-P-C4' energy: -149.114 flat angles P-C4'-P energy: -91.850 tors. eta vs tors. theta energy: -191.909 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: 417 Temperature: 1.250000 Total energy: -1963.385067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.385067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.385067 (E_RNA) where: Base-Base interactions energy: -1392.268 where: short stacking energy: -558.800 Base-Backbone interact. energy: 0.092 local terms energy: -571.209188 where: bonds (distance) C4'-P energy: -115.601 bonds (distance) P-C4' energy: -110.448 flat angles C4'-P-C4' energy: -109.346 flat angles P-C4'-P energy: -87.596 tors. eta vs tors. theta energy: -148.218 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: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1792.636186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.636186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.636186 (E_RNA) where: Base-Base interactions energy: -1253.222 where: short stacking energy: -505.406 Base-Backbone interact. energy: 1.345 local terms energy: -540.759737 where: bonds (distance) C4'-P energy: -103.905 bonds (distance) P-C4' energy: -119.715 flat angles C4'-P-C4' energy: -103.419 flat angles P-C4'-P energy: -84.339 tors. eta vs tors. theta energy: -129.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1106.706487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.706487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.706487 (E_RNA) where: Base-Base interactions energy: -707.511 where: short stacking energy: -314.121 Base-Backbone interact. energy: 1.562 local terms energy: -400.758237 where: bonds (distance) C4'-P energy: -101.817 bonds (distance) P-C4' energy: -106.143 flat angles C4'-P-C4' energy: -79.736 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -52.579 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: 418 Temperature: 0.900000 Total energy: -2679.817361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.817361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.817361 (E_RNA) where: Base-Base interactions energy: -1911.734 where: short stacking energy: -767.857 Base-Backbone interact. energy: -4.455 local terms energy: -763.628201 where: bonds (distance) C4'-P energy: -135.710 bonds (distance) P-C4' energy: -123.884 flat angles C4'-P-C4' energy: -165.429 flat angles P-C4'-P energy: -105.047 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: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2656.118463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.118463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.118463 (E_RNA) where: Base-Base interactions energy: -1890.529 where: short stacking energy: -791.184 Base-Backbone interact. energy: -1.157 local terms energy: -764.432453 where: bonds (distance) C4'-P energy: -144.334 bonds (distance) P-C4' energy: -117.856 flat angles C4'-P-C4' energy: -159.652 flat angles P-C4'-P energy: -102.101 tors. eta vs tors. theta energy: -240.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2556.256121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.256121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.256121 (E_RNA) where: Base-Base interactions energy: -1811.393 where: short stacking energy: -746.480 Base-Backbone interact. energy: 0.548 local terms energy: -745.411648 where: bonds (distance) C4'-P energy: -139.219 bonds (distance) P-C4' energy: -116.844 flat angles C4'-P-C4' energy: -153.822 flat angles P-C4'-P energy: -101.993 tors. eta vs tors. theta energy: -233.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2484.524577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.524577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.524577 (E_RNA) where: Base-Base interactions energy: -1778.013 where: short stacking energy: -721.726 Base-Backbone interact. energy: 1.183 local terms energy: -707.694140 where: bonds (distance) C4'-P energy: -117.417 bonds (distance) P-C4' energy: -117.597 flat angles C4'-P-C4' energy: -156.355 flat angles P-C4'-P energy: -98.870 tors. eta vs tors. theta energy: -217.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2364.948591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.948591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.948591 (E_RNA) where: Base-Base interactions energy: -1656.479 where: short stacking energy: -684.139 Base-Backbone interact. energy: -0.499 local terms energy: -707.970876 where: bonds (distance) C4'-P energy: -113.932 bonds (distance) P-C4' energy: -119.228 flat angles C4'-P-C4' energy: -157.311 flat angles P-C4'-P energy: -100.748 tors. eta vs tors. theta energy: -216.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2284.554693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.554693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.554693 (E_RNA) where: Base-Base interactions energy: -1630.983 where: short stacking energy: -663.414 Base-Backbone interact. energy: 4.399 local terms energy: -657.970778 where: bonds (distance) C4'-P energy: -82.541 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -143.009 flat angles P-C4'-P energy: -106.898 tors. eta vs tors. theta energy: -196.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2230.487260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.487260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.487260 (E_RNA) where: Base-Base interactions energy: -1576.504 where: short stacking energy: -663.113 Base-Backbone interact. energy: -2.710 local terms energy: -651.273750 where: bonds (distance) C4'-P energy: -107.132 bonds (distance) P-C4' energy: -123.086 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -95.319 tors. eta vs tors. theta energy: -186.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1968.341280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.341280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.341280 (E_RNA) where: Base-Base interactions energy: -1414.599 where: short stacking energy: -576.897 Base-Backbone interact. energy: 2.563 local terms energy: -556.305181 where: bonds (distance) C4'-P energy: -80.692 bonds (distance) P-C4' energy: -105.086 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -88.646 tors. eta vs tors. theta energy: -152.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1818.309311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.309311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.309311 (E_RNA) where: Base-Base interactions energy: -1260.999 where: short stacking energy: -516.137 Base-Backbone interact. energy: 7.889 local terms energy: -565.199448 where: bonds (distance) C4'-P energy: -96.428 bonds (distance) P-C4' energy: -111.569 flat angles C4'-P-C4' energy: -124.585 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -146.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1138.894962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.894962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.894962 (E_RNA) where: Base-Base interactions energy: -704.136 where: short stacking energy: -319.653 Base-Backbone interact. energy: -1.486 local terms energy: -433.273654 where: bonds (distance) C4'-P energy: -88.140 bonds (distance) P-C4' energy: -128.484 flat angles C4'-P-C4' energy: -101.646 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -49.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2692.034121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.034121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.034121 (E_RNA) where: Base-Base interactions energy: -1923.120 where: short stacking energy: -752.809 Base-Backbone interact. energy: -1.725 local terms energy: -767.189031 where: bonds (distance) C4'-P energy: -132.241 bonds (distance) P-C4' energy: -135.515 flat angles C4'-P-C4' energy: -160.533 flat angles P-C4'-P energy: -107.314 tors. eta vs tors. theta energy: -231.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2660.471789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.471789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.471789 (E_RNA) where: Base-Base interactions energy: -1889.129 where: short stacking energy: -756.520 Base-Backbone interact. energy: -2.157 local terms energy: -769.185636 where: bonds (distance) C4'-P energy: -141.284 bonds (distance) P-C4' energy: -129.175 flat angles C4'-P-C4' energy: -155.283 flat angles P-C4'-P energy: -100.152 tors. eta vs tors. theta energy: -243.292 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: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2549.612482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.612482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.612482 (E_RNA) where: Base-Base interactions energy: -1779.961 where: short stacking energy: -733.428 Base-Backbone interact. energy: -0.189 local terms energy: -769.462896 where: bonds (distance) C4'-P energy: -135.018 bonds (distance) P-C4' energy: -138.660 flat angles C4'-P-C4' energy: -159.253 flat angles P-C4'-P energy: -108.384 tors. eta vs tors. theta energy: -228.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2491.676653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.676653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.676653 (E_RNA) where: Base-Base interactions energy: -1768.898 where: short stacking energy: -735.298 Base-Backbone interact. energy: -3.382 local terms energy: -719.396545 where: bonds (distance) C4'-P energy: -125.067 bonds (distance) P-C4' energy: -120.962 flat angles C4'-P-C4' energy: -160.392 flat angles P-C4'-P energy: -93.676 tors. eta vs tors. theta energy: -219.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2445.928243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.928243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.928243 (E_RNA) where: Base-Base interactions energy: -1739.305 where: short stacking energy: -719.052 Base-Backbone interact. energy: -2.164 local terms energy: -704.458503 where: bonds (distance) C4'-P energy: -118.322 bonds (distance) P-C4' energy: -124.023 flat angles C4'-P-C4' energy: -146.140 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -222.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2298.616922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.616922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.616922 (E_RNA) where: Base-Base interactions energy: -1630.274 where: short stacking energy: -680.826 Base-Backbone interact. energy: 1.691 local terms energy: -670.033510 where: bonds (distance) C4'-P energy: -107.721 bonds (distance) P-C4' energy: -128.244 flat angles C4'-P-C4' energy: -132.560 flat angles P-C4'-P energy: -89.453 tors. eta vs tors. theta energy: -212.055 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: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2259.627331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.627331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.627331 (E_RNA) where: Base-Base interactions energy: -1611.584 where: short stacking energy: -653.777 Base-Backbone interact. energy: 5.165 local terms energy: -653.208142 where: bonds (distance) C4'-P energy: -119.500 bonds (distance) P-C4' energy: -108.417 flat angles C4'-P-C4' energy: -149.545 flat angles P-C4'-P energy: -78.249 tors. eta vs tors. theta energy: -197.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1969.330649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.330649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.330649 (E_RNA) where: Base-Base interactions energy: -1375.903 where: short stacking energy: -556.436 Base-Backbone interact. energy: -1.643 local terms energy: -591.784025 where: bonds (distance) C4'-P energy: -101.290 bonds (distance) P-C4' energy: -132.178 flat angles C4'-P-C4' energy: -130.000 flat angles P-C4'-P energy: -78.638 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: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1811.923335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.923335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.923335 (E_RNA) where: Base-Base interactions energy: -1250.854 where: short stacking energy: -496.918 Base-Backbone interact. energy: -0.946 local terms energy: -560.123581 where: bonds (distance) C4'-P energy: -98.569 bonds (distance) P-C4' energy: -126.076 flat angles C4'-P-C4' energy: -112.025 flat angles P-C4'-P energy: -78.197 tors. eta vs tors. theta energy: -145.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1097.384442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.384442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.384442 (E_RNA) where: Base-Base interactions energy: -672.517 where: short stacking energy: -301.339 Base-Backbone interact. energy: 1.793 local terms energy: -426.660458 where: bonds (distance) C4'-P energy: -106.586 bonds (distance) P-C4' energy: -118.994 flat angles C4'-P-C4' energy: -94.611 flat angles P-C4'-P energy: -64.699 tors. eta vs tors. theta energy: -41.771 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: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2692.974725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.974725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.974725 (E_RNA) where: Base-Base interactions energy: -1907.031 where: short stacking energy: -761.940 Base-Backbone interact. energy: -2.627 local terms energy: -783.317084 where: bonds (distance) C4'-P energy: -150.586 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -152.547 flat angles P-C4'-P energy: -110.203 tors. eta vs tors. theta energy: -234.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2650.565520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.565520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.565520 (E_RNA) where: Base-Base interactions energy: -1899.341 where: short stacking energy: -752.755 Base-Backbone interact. energy: -2.023 local terms energy: -749.200650 where: bonds (distance) C4'-P energy: -120.947 bonds (distance) P-C4' energy: -132.086 flat angles C4'-P-C4' energy: -150.070 flat angles P-C4'-P energy: -104.432 tors. eta vs tors. theta energy: -241.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2505.815357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.815357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.815357 (E_RNA) where: Base-Base interactions energy: -1798.348 where: short stacking energy: -732.682 Base-Backbone interact. energy: 0.737 local terms energy: -708.204312 where: bonds (distance) C4'-P energy: -114.870 bonds (distance) P-C4' energy: -126.900 flat angles C4'-P-C4' energy: -155.742 flat angles P-C4'-P energy: -91.984 tors. eta vs tors. theta energy: -218.708 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: 4, replica: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2464.862996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.862996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.862996 (E_RNA) where: Base-Base interactions energy: -1773.983 where: short stacking energy: -725.928 Base-Backbone interact. energy: -2.718 local terms energy: -688.161753 where: bonds (distance) C4'-P energy: -112.921 bonds (distance) P-C4' energy: -116.188 flat angles C4'-P-C4' energy: -145.101 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -220.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2370.886887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.886887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.886887 (E_RNA) where: Base-Base interactions energy: -1673.418 where: short stacking energy: -707.792 Base-Backbone interact. energy: -1.446 local terms energy: -696.022185 where: bonds (distance) C4'-P energy: -117.871 bonds (distance) P-C4' energy: -118.730 flat angles C4'-P-C4' energy: -149.331 flat angles P-C4'-P energy: -94.042 tors. eta vs tors. theta energy: -216.048 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: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2350.364117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.364117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.364117 (E_RNA) where: Base-Base interactions energy: -1689.039 where: short stacking energy: -689.174 Base-Backbone interact. energy: -0.318 local terms energy: -661.007291 where: bonds (distance) C4'-P energy: -121.782 bonds (distance) P-C4' energy: -95.326 flat angles C4'-P-C4' energy: -144.421 flat angles P-C4'-P energy: -78.904 tors. eta vs tors. theta energy: -220.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2289.331580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.331580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.331580 (E_RNA) where: Base-Base interactions energy: -1578.632 where: short stacking energy: -650.703 Base-Backbone interact. energy: -2.215 local terms energy: -708.484839 where: bonds (distance) C4'-P energy: -122.989 bonds (distance) P-C4' energy: -131.036 flat angles C4'-P-C4' energy: -146.596 flat angles P-C4'-P energy: -89.377 tors. eta vs tors. theta energy: -218.487 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: 10 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1980.063060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.063060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.063060 (E_RNA) where: Base-Base interactions energy: -1396.393 where: short stacking energy: -563.438 Base-Backbone interact. energy: 2.033 local terms energy: -585.702821 where: bonds (distance) C4'-P energy: -100.975 bonds (distance) P-C4' energy: -128.095 flat angles C4'-P-C4' energy: -116.355 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -160.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1885.422666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.422666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.422666 (E_RNA) where: Base-Base interactions energy: -1324.116 where: short stacking energy: -542.889 Base-Backbone interact. energy: 1.100 local terms energy: -562.407256 where: bonds (distance) C4'-P energy: -107.704 bonds (distance) P-C4' energy: -117.449 flat angles C4'-P-C4' energy: -106.380 flat angles P-C4'-P energy: -76.262 tors. eta vs tors. theta energy: -154.611 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: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1175.985759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.985759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.985759 (E_RNA) where: Base-Base interactions energy: -720.118 where: short stacking energy: -356.972 Base-Backbone interact. energy: -1.887 local terms energy: -453.980638 where: bonds (distance) C4'-P energy: -91.910 bonds (distance) P-C4' energy: -122.252 flat angles C4'-P-C4' energy: -97.162 flat angles P-C4'-P energy: -68.976 tors. eta vs tors. theta energy: -73.680 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: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2714.534205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.534205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.534205 (E_RNA) where: Base-Base interactions energy: -1937.220 where: short stacking energy: -776.302 Base-Backbone interact. energy: -1.331 local terms energy: -775.983138 where: bonds (distance) C4'-P energy: -148.121 bonds (distance) P-C4' energy: -128.107 flat angles C4'-P-C4' energy: -158.926 flat angles P-C4'-P energy: -110.753 tors. eta vs tors. theta energy: -230.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2665.656791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.656791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.656791 (E_RNA) where: Base-Base interactions energy: -1906.925 where: short stacking energy: -787.129 Base-Backbone interact. energy: 0.758 local terms energy: -759.489580 where: bonds (distance) C4'-P energy: -125.195 bonds (distance) P-C4' energy: -123.449 flat angles C4'-P-C4' energy: -165.226 flat angles P-C4'-P energy: -104.925 tors. eta vs tors. theta energy: -240.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2512.602557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.602557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.602557 (E_RNA) where: Base-Base interactions energy: -1770.297 where: short stacking energy: -725.404 Base-Backbone interact. energy: -1.778 local terms energy: -740.528060 where: bonds (distance) C4'-P energy: -123.203 bonds (distance) P-C4' energy: -125.438 flat angles C4'-P-C4' energy: -153.171 flat angles P-C4'-P energy: -118.174 tors. eta vs tors. theta energy: -220.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2468.277490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.277490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.277490 (E_RNA) where: Base-Base interactions energy: -1754.883 where: short stacking energy: -689.181 Base-Backbone interact. energy: -2.121 local terms energy: -711.273333 where: bonds (distance) C4'-P energy: -133.885 bonds (distance) P-C4' energy: -121.713 flat angles C4'-P-C4' energy: -146.112 flat angles P-C4'-P energy: -100.292 tors. eta vs tors. theta energy: -209.271 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: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2353.836824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.836824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.836824 (E_RNA) where: Base-Base interactions energy: -1675.728 where: short stacking energy: -688.704 Base-Backbone interact. energy: -2.768 local terms energy: -675.340414 where: bonds (distance) C4'-P energy: -111.343 bonds (distance) P-C4' energy: -123.771 flat angles C4'-P-C4' energy: -148.692 flat angles P-C4'-P energy: -76.717 tors. eta vs tors. theta energy: -214.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2277.727179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.727179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.727179 (E_RNA) where: Base-Base interactions energy: -1621.353 where: short stacking energy: -650.766 Base-Backbone interact. energy: -3.336 local terms energy: -653.038760 where: bonds (distance) C4'-P energy: -113.581 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -142.832 flat angles P-C4'-P energy: -84.024 tors. eta vs tors. theta energy: -200.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2256.694056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.694056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.694056 (E_RNA) where: Base-Base interactions energy: -1579.707 where: short stacking energy: -639.890 Base-Backbone interact. energy: 2.399 local terms energy: -679.385901 where: bonds (distance) C4'-P energy: -116.076 bonds (distance) P-C4' energy: -102.785 flat angles C4'-P-C4' energy: -147.596 flat angles P-C4'-P energy: -105.958 tors. eta vs tors. theta energy: -206.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1994.471144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.471144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.471144 (E_RNA) where: Base-Base interactions energy: -1403.422 where: short stacking energy: -574.801 Base-Backbone interact. energy: -2.201 local terms energy: -588.848035 where: bonds (distance) C4'-P energy: -99.635 bonds (distance) P-C4' energy: -114.011 flat angles C4'-P-C4' energy: -130.750 flat angles P-C4'-P energy: -83.199 tors. eta vs tors. theta energy: -161.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1924.504578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.504578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.504578 (E_RNA) where: Base-Base interactions energy: -1334.440 where: short stacking energy: -566.304 Base-Backbone interact. energy: 0.063 local terms energy: -590.127942 where: bonds (distance) C4'-P energy: -90.400 bonds (distance) P-C4' energy: -111.255 flat angles C4'-P-C4' energy: -132.818 flat angles P-C4'-P energy: -94.797 tors. eta vs tors. theta energy: -160.858 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: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1126.491260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.491260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.491260 (E_RNA) where: Base-Base interactions energy: -699.303 where: short stacking energy: -335.089 Base-Backbone interact. energy: -2.484 local terms energy: -424.704040 where: bonds (distance) C4'-P energy: -91.019 bonds (distance) P-C4' energy: -109.306 flat angles C4'-P-C4' energy: -100.716 flat angles P-C4'-P energy: -52.060 tors. eta vs tors. theta energy: -71.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2690.006614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.006614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.006614 (E_RNA) where: Base-Base interactions energy: -1934.627 where: short stacking energy: -758.118 Base-Backbone interact. energy: -1.606 local terms energy: -753.773616 where: bonds (distance) C4'-P energy: -120.280 bonds (distance) P-C4' energy: -138.543 flat angles C4'-P-C4' energy: -161.100 flat angles P-C4'-P energy: -108.999 tors. eta vs tors. theta energy: -224.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2648.565586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.565586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.565586 (E_RNA) where: Base-Base interactions energy: -1893.203 where: short stacking energy: -791.853 Base-Backbone interact. energy: -0.475 local terms energy: -754.887465 where: bonds (distance) C4'-P energy: -128.912 bonds (distance) P-C4' energy: -123.667 flat angles C4'-P-C4' energy: -158.914 flat angles P-C4'-P energy: -98.097 tors. eta vs tors. theta energy: -245.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2529.039329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.039329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.039329 (E_RNA) where: Base-Base interactions energy: -1800.465 where: short stacking energy: -722.660 Base-Backbone interact. energy: -4.790 local terms energy: -723.784462 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -119.970 flat angles C4'-P-C4' energy: -155.689 flat angles P-C4'-P energy: -117.091 tors. eta vs tors. theta energy: -217.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2480.100522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.100522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.100522 (E_RNA) where: Base-Base interactions energy: -1754.762 where: short stacking energy: -690.050 Base-Backbone interact. energy: 0.068 local terms energy: -725.406757 where: bonds (distance) C4'-P energy: -127.028 bonds (distance) P-C4' energy: -123.550 flat angles C4'-P-C4' energy: -155.993 flat angles P-C4'-P energy: -100.625 tors. eta vs tors. theta energy: -218.211 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: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2361.857270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.857270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.857270 (E_RNA) where: Base-Base interactions energy: -1692.254 where: short stacking energy: -686.252 Base-Backbone interact. energy: -0.809 local terms energy: -668.794884 where: bonds (distance) C4'-P energy: -120.215 bonds (distance) P-C4' energy: -112.769 flat angles C4'-P-C4' energy: -144.953 flat angles P-C4'-P energy: -90.291 tors. eta vs tors. theta energy: -200.566 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: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2272.517607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.517607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.517607 (E_RNA) where: Base-Base interactions energy: -1605.994 where: short stacking energy: -660.570 Base-Backbone interact. energy: -6.855 local terms energy: -659.668539 where: bonds (distance) C4'-P energy: -109.968 bonds (distance) P-C4' energy: -103.418 flat angles C4'-P-C4' energy: -133.612 flat angles P-C4'-P energy: -115.426 tors. eta vs tors. theta energy: -197.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2277.562176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.562176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.562176 (E_RNA) where: Base-Base interactions energy: -1625.825 where: short stacking energy: -661.888 Base-Backbone interact. energy: 0.307 local terms energy: -652.043378 where: bonds (distance) C4'-P energy: -104.581 bonds (distance) P-C4' energy: -108.522 flat angles C4'-P-C4' energy: -140.478 flat angles P-C4'-P energy: -90.957 tors. eta vs tors. theta energy: -207.506 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: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -2060.588436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.588436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.588436 (E_RNA) where: Base-Base interactions energy: -1468.167 where: short stacking energy: -598.975 Base-Backbone interact. energy: -1.216 local terms energy: -591.205175 where: bonds (distance) C4'-P energy: -88.170 bonds (distance) P-C4' energy: -100.844 flat angles C4'-P-C4' energy: -135.952 flat angles P-C4'-P energy: -92.516 tors. eta vs tors. theta energy: -173.723 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: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1869.401754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.401754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.401754 (E_RNA) where: Base-Base interactions energy: -1316.565 where: short stacking energy: -536.163 Base-Backbone interact. energy: -1.152 local terms energy: -551.684171 where: bonds (distance) C4'-P energy: -81.910 bonds (distance) P-C4' energy: -105.893 flat angles C4'-P-C4' energy: -113.192 flat angles P-C4'-P energy: -86.949 tors. eta vs tors. theta energy: -163.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1204.274384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.274384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.274384 (E_RNA) where: Base-Base interactions energy: -775.435 where: short stacking energy: -316.901 Base-Backbone interact. energy: -3.246 local terms energy: -425.593468 where: bonds (distance) C4'-P energy: -97.023 bonds (distance) P-C4' energy: -119.241 flat angles C4'-P-C4' energy: -92.714 flat angles P-C4'-P energy: -63.013 tors. eta vs tors. theta energy: -53.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2688.358761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.358761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.358761 (E_RNA) where: Base-Base interactions energy: -1925.554 where: short stacking energy: -768.679 Base-Backbone interact. energy: -0.983 local terms energy: -761.821594 where: bonds (distance) C4'-P energy: -138.841 bonds (distance) P-C4' energy: -134.671 flat angles C4'-P-C4' energy: -161.236 flat angles P-C4'-P energy: -104.919 tors. eta vs tors. theta energy: -222.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2671.135723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.135723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.135723 (E_RNA) where: Base-Base interactions energy: -1914.355 where: short stacking energy: -777.399 Base-Backbone interact. energy: 0.547 local terms energy: -757.328230 where: bonds (distance) C4'-P energy: -118.402 bonds (distance) P-C4' energy: -131.589 flat angles C4'-P-C4' energy: -161.057 flat angles P-C4'-P energy: -104.839 tors. eta vs tors. theta energy: -241.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2539.355885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.355885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.355885 (E_RNA) where: Base-Base interactions energy: -1829.631 where: short stacking energy: -746.114 Base-Backbone interact. energy: -0.902 local terms energy: -708.822353 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -115.048 flat angles C4'-P-C4' energy: -163.230 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -219.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2493.330867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.330867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.330867 (E_RNA) where: Base-Base interactions energy: -1793.283 where: short stacking energy: -727.013 Base-Backbone interact. energy: -1.210 local terms energy: -698.838213 where: bonds (distance) C4'-P energy: -111.640 bonds (distance) P-C4' energy: -115.197 flat angles C4'-P-C4' energy: -158.542 flat angles P-C4'-P energy: -95.664 tors. eta vs tors. theta energy: -217.795 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: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2352.214064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.214064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.214064 (E_RNA) where: Base-Base interactions energy: -1684.277 where: short stacking energy: -684.881 Base-Backbone interact. energy: -0.812 local terms energy: -667.124896 where: bonds (distance) C4'-P energy: -111.504 bonds (distance) P-C4' energy: -114.689 flat angles C4'-P-C4' energy: -135.799 flat angles P-C4'-P energy: -96.959 tors. eta vs tors. theta energy: -208.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2341.800118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.800118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.800118 (E_RNA) where: Base-Base interactions energy: -1666.540 where: short stacking energy: -675.238 Base-Backbone interact. energy: -0.666 local terms energy: -674.594876 where: bonds (distance) C4'-P energy: -121.722 bonds (distance) P-C4' energy: -124.282 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -90.853 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: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2263.951212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.951212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.951212 (E_RNA) where: Base-Base interactions energy: -1636.071 where: short stacking energy: -668.166 Base-Backbone interact. energy: -2.268 local terms energy: -625.611877 where: bonds (distance) C4'-P energy: -94.028 bonds (distance) P-C4' energy: -102.049 flat angles C4'-P-C4' energy: -128.962 flat angles P-C4'-P energy: -101.132 tors. eta vs tors. theta energy: -199.440 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: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -2045.670819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.670819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.670819 (E_RNA) where: Base-Base interactions energy: -1478.712 where: short stacking energy: -605.640 Base-Backbone interact. energy: -1.473 local terms energy: -565.486489 where: bonds (distance) C4'-P energy: -100.939 bonds (distance) P-C4' energy: -101.895 flat angles C4'-P-C4' energy: -128.753 flat angles P-C4'-P energy: -77.581 tors. eta vs tors. theta energy: -156.318 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: 423 Temperature: 1.300000 Total energy: -1862.009104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.009104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.009104 (E_RNA) where: Base-Base interactions energy: -1283.933 where: short stacking energy: -508.494 Base-Backbone interact. energy: -1.308 local terms energy: -576.768263 where: bonds (distance) C4'-P energy: -116.379 bonds (distance) P-C4' energy: -99.024 flat angles C4'-P-C4' energy: -127.870 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -153.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1253.040707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.040707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.040707 (E_RNA) where: Base-Base interactions energy: -814.330 where: short stacking energy: -338.209 Base-Backbone interact. energy: 1.664 local terms energy: -440.373903 where: bonds (distance) C4'-P energy: -92.641 bonds (distance) P-C4' energy: -109.596 flat angles C4'-P-C4' energy: -115.446 flat angles P-C4'-P energy: -56.821 tors. eta vs tors. theta energy: -65.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2669.188959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.188959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.188959 (E_RNA) where: Base-Base interactions energy: -1903.649 where: short stacking energy: -766.889 Base-Backbone interact. energy: -0.803 local terms energy: -764.736507 where: bonds (distance) C4'-P energy: -125.533 bonds (distance) P-C4' energy: -137.177 flat angles C4'-P-C4' energy: -163.759 flat angles P-C4'-P energy: -108.266 tors. eta vs tors. theta energy: -230.001 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: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2650.621535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.621535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.621535 (E_RNA) where: Base-Base interactions energy: -1890.597 where: short stacking energy: -768.919 Base-Backbone interact. energy: 1.314 local terms energy: -761.338096 where: bonds (distance) C4'-P energy: -131.440 bonds (distance) P-C4' energy: -123.926 flat angles C4'-P-C4' energy: -166.709 flat angles P-C4'-P energy: -102.296 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: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2515.816511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.816511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.816511 (E_RNA) where: Base-Base interactions energy: -1785.383 where: short stacking energy: -725.775 Base-Backbone interact. energy: -3.092 local terms energy: -727.341437 where: bonds (distance) C4'-P energy: -131.707 bonds (distance) P-C4' energy: -131.070 flat angles C4'-P-C4' energy: -151.590 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -217.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2468.054986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.054986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.054986 (E_RNA) where: Base-Base interactions energy: -1756.070 where: short stacking energy: -681.759 Base-Backbone interact. energy: -0.906 local terms energy: -711.078769 where: bonds (distance) C4'-P energy: -132.248 bonds (distance) P-C4' energy: -119.332 flat angles C4'-P-C4' energy: -151.792 flat angles P-C4'-P energy: -99.126 tors. eta vs tors. theta energy: -208.581 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: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2386.560796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.560796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.560796 (E_RNA) where: Base-Base interactions energy: -1687.297 where: short stacking energy: -717.535 Base-Backbone interact. energy: 0.499 local terms energy: -699.762608 where: bonds (distance) C4'-P energy: -118.351 bonds (distance) P-C4' energy: -121.783 flat angles C4'-P-C4' energy: -154.141 flat angles P-C4'-P energy: -88.370 tors. eta vs tors. theta energy: -217.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2290.179204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.179204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.179204 (E_RNA) where: Base-Base interactions energy: -1635.922 where: short stacking energy: -677.026 Base-Backbone interact. energy: -0.081 local terms energy: -654.176338 where: bonds (distance) C4'-P energy: -98.369 bonds (distance) P-C4' energy: -107.603 flat angles C4'-P-C4' energy: -141.351 flat angles P-C4'-P energy: -100.095 tors. eta vs tors. theta energy: -206.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2243.040037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.040037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.040037 (E_RNA) where: Base-Base interactions energy: -1597.040 where: short stacking energy: -664.288 Base-Backbone interact. energy: -1.305 local terms energy: -644.694493 where: bonds (distance) C4'-P energy: -104.245 bonds (distance) P-C4' energy: -118.567 flat angles C4'-P-C4' energy: -135.663 flat angles P-C4'-P energy: -92.283 tors. eta vs tors. theta energy: -193.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2023.074626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.074626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.074626 (E_RNA) where: Base-Base interactions energy: -1430.039 where: short stacking energy: -573.138 Base-Backbone interact. energy: -1.391 local terms energy: -591.644322 where: bonds (distance) C4'-P energy: -99.131 bonds (distance) P-C4' energy: -115.819 flat angles C4'-P-C4' energy: -130.976 flat angles P-C4'-P energy: -75.049 tors. eta vs tors. theta energy: -170.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1871.711753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.711753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.711753 (E_RNA) where: Base-Base interactions energy: -1339.638 where: short stacking energy: -534.734 Base-Backbone interact. energy: 0.222 local terms energy: -532.296305 where: bonds (distance) C4'-P energy: -99.878 bonds (distance) P-C4' energy: -102.105 flat angles C4'-P-C4' energy: -107.317 flat angles P-C4'-P energy: -65.706 tors. eta vs tors. theta energy: -157.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1213.750196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.750196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.750196 (E_RNA) where: Base-Base interactions energy: -790.270 where: short stacking energy: -358.479 Base-Backbone interact. energy: -3.683 local terms energy: -419.796699 where: bonds (distance) C4'-P energy: -101.268 bonds (distance) P-C4' energy: -94.166 flat angles C4'-P-C4' energy: -109.498 flat angles P-C4'-P energy: -54.570 tors. eta vs tors. theta energy: -60.294 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: 9 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2692.827734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.827734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.827734 (E_RNA) where: Base-Base interactions energy: -1938.812 where: short stacking energy: -763.956 Base-Backbone interact. energy: -2.361 local terms energy: -751.655563 where: bonds (distance) C4'-P energy: -130.136 bonds (distance) P-C4' energy: -130.552 flat angles C4'-P-C4' energy: -157.181 flat angles P-C4'-P energy: -101.983 tors. eta vs tors. theta energy: -231.804 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: 425 Temperature: 0.950000 Total energy: -2647.278873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.278873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.278873 (E_RNA) where: Base-Base interactions energy: -1878.392 where: short stacking energy: -783.525 Base-Backbone interact. energy: -1.214 local terms energy: -767.672534 where: bonds (distance) C4'-P energy: -138.459 bonds (distance) P-C4' energy: -119.849 flat angles C4'-P-C4' energy: -152.476 flat angles P-C4'-P energy: -110.935 tors. eta vs tors. theta energy: -245.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2553.503257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.503257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.503257 (E_RNA) where: Base-Base interactions energy: -1814.246 where: short stacking energy: -725.073 Base-Backbone interact. energy: -1.587 local terms energy: -737.670517 where: bonds (distance) C4'-P energy: -126.875 bonds (distance) P-C4' energy: -133.907 flat angles C4'-P-C4' energy: -152.229 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -222.674 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: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2477.350669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.350669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.350669 (E_RNA) where: Base-Base interactions energy: -1752.417 where: short stacking energy: -726.810 Base-Backbone interact. energy: -2.313 local terms energy: -722.620832 where: bonds (distance) C4'-P energy: -122.319 bonds (distance) P-C4' energy: -140.569 flat angles C4'-P-C4' energy: -140.671 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -217.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2425.198429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.198429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.198429 (E_RNA) where: Base-Base interactions energy: -1722.864 where: short stacking energy: -708.190 Base-Backbone interact. energy: -0.583 local terms energy: -701.751408 where: bonds (distance) C4'-P energy: -125.015 bonds (distance) P-C4' energy: -111.146 flat angles C4'-P-C4' energy: -148.662 flat angles P-C4'-P energy: -99.241 tors. eta vs tors. theta energy: -217.688 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: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2255.244706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.244706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.244706 (E_RNA) where: Base-Base interactions energy: -1602.195 where: short stacking energy: -658.915 Base-Backbone interact. energy: 2.644 local terms energy: -655.693832 where: bonds (distance) C4'-P energy: -94.968 bonds (distance) P-C4' energy: -130.428 flat angles C4'-P-C4' energy: -137.955 flat angles P-C4'-P energy: -82.474 tors. eta vs tors. theta energy: -209.868 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: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2227.692298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.692298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.692298 (E_RNA) where: Base-Base interactions energy: -1588.644 where: short stacking energy: -674.724 Base-Backbone interact. energy: 0.424 local terms energy: -639.472582 where: bonds (distance) C4'-P energy: -125.546 bonds (distance) P-C4' energy: -104.014 flat angles C4'-P-C4' energy: -126.407 flat angles P-C4'-P energy: -82.402 tors. eta vs tors. theta energy: -201.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1998.073944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.073944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.073944 (E_RNA) where: Base-Base interactions energy: -1371.292 where: short stacking energy: -570.922 Base-Backbone interact. energy: 2.236 local terms energy: -629.017327 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -114.106 flat angles C4'-P-C4' energy: -137.155 flat angles P-C4'-P energy: -85.412 tors. eta vs tors. theta energy: -172.988 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: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1947.888628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.888628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.888628 (E_RNA) where: Base-Base interactions energy: -1379.598 where: short stacking energy: -546.547 Base-Backbone interact. energy: 2.687 local terms energy: -570.977837 where: bonds (distance) C4'-P energy: -101.120 bonds (distance) P-C4' energy: -124.749 flat angles C4'-P-C4' energy: -110.405 flat angles P-C4'-P energy: -77.066 tors. eta vs tors. theta energy: -157.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1210.887492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.887492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.887492 (E_RNA) where: Base-Base interactions energy: -751.594 where: short stacking energy: -344.446 Base-Backbone interact. energy: -0.659 local terms energy: -458.633586 where: bonds (distance) C4'-P energy: -104.056 bonds (distance) P-C4' energy: -117.084 flat angles C4'-P-C4' energy: -107.415 flat angles P-C4'-P energy: -53.768 tors. eta vs tors. theta energy: -76.310 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: 1, replica: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2717.498440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.498440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.498440 (E_RNA) where: Base-Base interactions energy: -1959.015 where: short stacking energy: -781.203 Base-Backbone interact. energy: -1.524 local terms energy: -756.958837 where: bonds (distance) C4'-P energy: -136.187 bonds (distance) P-C4' energy: -130.047 flat angles C4'-P-C4' energy: -162.519 flat angles P-C4'-P energy: -96.671 tors. eta vs tors. theta energy: -231.535 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: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2647.289903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.289903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.289903 (E_RNA) where: Base-Base interactions energy: -1889.236 where: short stacking energy: -779.534 Base-Backbone interact. energy: -0.242 local terms energy: -757.812368 where: bonds (distance) C4'-P energy: -125.355 bonds (distance) P-C4' energy: -121.194 flat angles C4'-P-C4' energy: -161.156 flat angles P-C4'-P energy: -101.246 tors. eta vs tors. theta energy: -248.862 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: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2530.403600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.403600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.403600 (E_RNA) where: Base-Base interactions energy: -1802.075 where: short stacking energy: -713.392 Base-Backbone interact. energy: -2.185 local terms energy: -726.142929 where: bonds (distance) C4'-P energy: -117.304 bonds (distance) P-C4' energy: -138.102 flat angles C4'-P-C4' energy: -146.852 flat angles P-C4'-P energy: -93.887 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: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2497.102182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.102182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.102182 (E_RNA) where: Base-Base interactions energy: -1791.363 where: short stacking energy: -731.229 Base-Backbone interact. energy: -1.355 local terms energy: -704.383985 where: bonds (distance) C4'-P energy: -112.012 bonds (distance) P-C4' energy: -119.977 flat angles C4'-P-C4' energy: -155.868 flat angles P-C4'-P energy: -101.256 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: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2363.082663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.082663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.082663 (E_RNA) where: Base-Base interactions energy: -1640.549 where: short stacking energy: -679.985 Base-Backbone interact. energy: -2.028 local terms energy: -720.505445 where: bonds (distance) C4'-P energy: -133.500 bonds (distance) P-C4' energy: -128.610 flat angles C4'-P-C4' energy: -154.639 flat angles P-C4'-P energy: -90.694 tors. eta vs tors. theta energy: -213.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2349.924231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.924231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.924231 (E_RNA) where: Base-Base interactions energy: -1617.071 where: short stacking energy: -670.786 Base-Backbone interact. energy: -0.762 local terms energy: -732.090964 where: bonds (distance) C4'-P energy: -122.893 bonds (distance) P-C4' energy: -139.149 flat angles C4'-P-C4' energy: -143.839 flat angles P-C4'-P energy: -100.847 tors. eta vs tors. theta energy: -225.364 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: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2262.361384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.361384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.361384 (E_RNA) where: Base-Base interactions energy: -1630.525 where: short stacking energy: -654.681 Base-Backbone interact. energy: -3.035 local terms energy: -628.801974 where: bonds (distance) C4'-P energy: -119.714 bonds (distance) P-C4' energy: -114.512 flat angles C4'-P-C4' energy: -129.296 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -187.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1995.238642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.238642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.238642 (E_RNA) where: Base-Base interactions energy: -1406.730 where: short stacking energy: -598.772 Base-Backbone interact. energy: -0.351 local terms energy: -588.157764 where: bonds (distance) C4'-P energy: -105.681 bonds (distance) P-C4' energy: -104.014 flat angles C4'-P-C4' energy: -121.476 flat angles P-C4'-P energy: -79.934 tors. eta vs tors. theta energy: -177.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1876.657103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.657103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.657103 (E_RNA) where: Base-Base interactions energy: -1326.002 where: short stacking energy: -536.730 Base-Backbone interact. energy: 4.003 local terms energy: -554.657525 where: bonds (distance) C4'-P energy: -109.017 bonds (distance) P-C4' energy: -106.951 flat angles C4'-P-C4' energy: -117.026 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -145.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1187.391398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.391398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.391398 (E_RNA) where: Base-Base interactions energy: -745.402 where: short stacking energy: -348.218 Base-Backbone interact. energy: -2.168 local terms energy: -439.821499 where: bonds (distance) C4'-P energy: -116.295 bonds (distance) P-C4' energy: -83.597 flat angles C4'-P-C4' energy: -107.534 flat angles P-C4'-P energy: -58.693 tors. eta vs tors. theta energy: -73.702 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: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2696.708037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.708037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.708037 (E_RNA) where: Base-Base interactions energy: -1916.274 where: short stacking energy: -759.173 Base-Backbone interact. energy: 1.961 local terms energy: -782.394658 where: bonds (distance) C4'-P energy: -134.812 bonds (distance) P-C4' energy: -132.832 flat angles C4'-P-C4' energy: -157.012 flat angles P-C4'-P energy: -120.878 tors. eta vs tors. theta energy: -236.861 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: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2639.876572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.876572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.876572 (E_RNA) where: Base-Base interactions energy: -1856.869 where: short stacking energy: -761.493 Base-Backbone interact. energy: -3.104 local terms energy: -779.903409 where: bonds (distance) C4'-P energy: -131.241 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -163.827 flat angles P-C4'-P energy: -107.556 tors. eta vs tors. theta energy: -245.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2539.649392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.649392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.649392 (E_RNA) where: Base-Base interactions energy: -1796.899 where: short stacking energy: -738.922 Base-Backbone interact. energy: -1.671 local terms energy: -741.079514 where: bonds (distance) C4'-P energy: -135.107 bonds (distance) P-C4' energy: -125.360 flat angles C4'-P-C4' energy: -150.711 flat angles P-C4'-P energy: -95.997 tors. eta vs tors. theta energy: -233.904 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: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2488.152023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.152023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.152023 (E_RNA) where: Base-Base interactions energy: -1778.493 where: short stacking energy: -697.046 Base-Backbone interact. energy: -1.701 local terms energy: -707.957430 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -132.610 flat angles C4'-P-C4' energy: -161.805 flat angles P-C4'-P energy: -95.552 tors. eta vs tors. theta energy: -197.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2366.831968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.831968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.831968 (E_RNA) where: Base-Base interactions energy: -1678.545 where: short stacking energy: -702.855 Base-Backbone interact. energy: 1.889 local terms energy: -690.175742 where: bonds (distance) C4'-P energy: -132.126 bonds (distance) P-C4' energy: -111.672 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -88.783 tors. eta vs tors. theta energy: -208.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2302.061731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.061731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.061731 (E_RNA) where: Base-Base interactions energy: -1601.679 where: short stacking energy: -657.615 Base-Backbone interact. energy: -3.379 local terms energy: -697.002843 where: bonds (distance) C4'-P energy: -125.774 bonds (distance) P-C4' energy: -120.703 flat angles C4'-P-C4' energy: -140.534 flat angles P-C4'-P energy: -105.803 tors. eta vs tors. theta energy: -204.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2231.343634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.343634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.343634 (E_RNA) where: Base-Base interactions energy: -1590.214 where: short stacking energy: -650.608 Base-Backbone interact. energy: -2.423 local terms energy: -638.706590 where: bonds (distance) C4'-P energy: -126.172 bonds (distance) P-C4' energy: -92.486 flat angles C4'-P-C4' energy: -137.695 flat angles P-C4'-P energy: -80.372 tors. eta vs tors. theta energy: -201.982 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: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1959.792881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.792881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.792881 (E_RNA) where: Base-Base interactions energy: -1376.499 where: short stacking energy: -557.261 Base-Backbone interact. energy: -0.115 local terms energy: -583.178518 where: bonds (distance) C4'-P energy: -99.989 bonds (distance) P-C4' energy: -107.430 flat angles C4'-P-C4' energy: -130.722 flat angles P-C4'-P energy: -82.781 tors. eta vs tors. theta energy: -162.256 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: 427 Temperature: 1.300000 Total energy: -1831.560561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.560561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.560561 (E_RNA) where: Base-Base interactions energy: -1280.054 where: short stacking energy: -517.277 Base-Backbone interact. energy: 3.864 local terms energy: -555.370547 where: bonds (distance) C4'-P energy: -110.542 bonds (distance) P-C4' energy: -107.540 flat angles C4'-P-C4' energy: -116.878 flat angles P-C4'-P energy: -76.252 tors. eta vs tors. theta energy: -144.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1214.364862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.364862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.364862 (E_RNA) where: Base-Base interactions energy: -772.459 where: short stacking energy: -345.563 Base-Backbone interact. energy: 0.461 local terms energy: -442.367425 where: bonds (distance) C4'-P energy: -112.986 bonds (distance) P-C4' energy: -103.697 flat angles C4'-P-C4' energy: -74.449 flat angles P-C4'-P energy: -85.383 tors. eta vs tors. theta energy: -65.852 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: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2694.052491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.052491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.052491 (E_RNA) where: Base-Base interactions energy: -1936.078 where: short stacking energy: -752.906 Base-Backbone interact. energy: -2.026 local terms energy: -755.948095 where: bonds (distance) C4'-P energy: -138.316 bonds (distance) P-C4' energy: -130.792 flat angles C4'-P-C4' energy: -163.666 flat angles P-C4'-P energy: -103.379 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: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2638.383222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.383222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.383222 (E_RNA) where: Base-Base interactions energy: -1864.076 where: short stacking energy: -785.424 Base-Backbone interact. energy: 3.939 local terms energy: -778.245815 where: bonds (distance) C4'-P energy: -134.128 bonds (distance) P-C4' energy: -132.873 flat angles C4'-P-C4' energy: -160.247 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -240.479 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: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2531.306401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.306401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.306401 (E_RNA) where: Base-Base interactions energy: -1787.503 where: short stacking energy: -710.417 Base-Backbone interact. energy: -0.552 local terms energy: -743.250972 where: bonds (distance) C4'-P energy: -142.697 bonds (distance) P-C4' energy: -128.269 flat angles C4'-P-C4' energy: -152.443 flat angles P-C4'-P energy: -104.408 tors. eta vs tors. theta energy: -215.433 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: 428 Temperature: 1.050000 Total energy: -2497.941540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.941540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.941540 (E_RNA) where: Base-Base interactions energy: -1799.756 where: short stacking energy: -731.119 Base-Backbone interact. energy: 0.986 local terms energy: -699.171143 where: bonds (distance) C4'-P energy: -113.951 bonds (distance) P-C4' energy: -124.403 flat angles C4'-P-C4' energy: -142.983 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -221.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2349.885393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.885393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.885393 (E_RNA) where: Base-Base interactions energy: -1663.395 where: short stacking energy: -672.690 Base-Backbone interact. energy: 0.652 local terms energy: -687.142121 where: bonds (distance) C4'-P energy: -113.469 bonds (distance) P-C4' energy: -124.415 flat angles C4'-P-C4' energy: -144.640 flat angles P-C4'-P energy: -98.342 tors. eta vs tors. theta energy: -206.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2313.925122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.925122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.925122 (E_RNA) where: Base-Base interactions energy: -1622.285 where: short stacking energy: -664.118 Base-Backbone interact. energy: -0.678 local terms energy: -690.962597 where: bonds (distance) C4'-P energy: -113.946 bonds (distance) P-C4' energy: -119.820 flat angles C4'-P-C4' energy: -147.239 flat angles P-C4'-P energy: -111.982 tors. eta vs tors. theta energy: -197.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2194.274249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.274249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.274249 (E_RNA) where: Base-Base interactions energy: -1566.120 where: short stacking energy: -655.507 Base-Backbone interact. energy: -0.209 local terms energy: -627.944836 where: bonds (distance) C4'-P energy: -109.825 bonds (distance) P-C4' energy: -108.707 flat angles C4'-P-C4' energy: -124.535 flat angles P-C4'-P energy: -77.711 tors. eta vs tors. theta energy: -207.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2010.102106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.102106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.102106 (E_RNA) where: Base-Base interactions energy: -1424.098 where: short stacking energy: -564.503 Base-Backbone interact. energy: -0.792 local terms energy: -585.211632 where: bonds (distance) C4'-P energy: -103.811 bonds (distance) P-C4' energy: -123.982 flat angles C4'-P-C4' energy: -119.693 flat angles P-C4'-P energy: -75.161 tors. eta vs tors. theta energy: -162.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1868.761459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.761459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.761459 (E_RNA) where: Base-Base interactions energy: -1292.397 where: short stacking energy: -534.284 Base-Backbone interact. energy: -1.746 local terms energy: -574.618009 where: bonds (distance) C4'-P energy: -109.746 bonds (distance) P-C4' energy: -111.599 flat angles C4'-P-C4' energy: -129.412 flat angles P-C4'-P energy: -84.540 tors. eta vs tors. theta energy: -139.321 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: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1223.387086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.387086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.387086 (E_RNA) where: Base-Base interactions energy: -751.363 where: short stacking energy: -332.283 Base-Backbone interact. energy: -1.403 local terms energy: -470.621272 where: bonds (distance) C4'-P energy: -99.807 bonds (distance) P-C4' energy: -115.636 flat angles C4'-P-C4' energy: -122.888 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: -76.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2692.569384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.569384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.569384 (E_RNA) where: Base-Base interactions energy: -1937.491 where: short stacking energy: -763.451 Base-Backbone interact. energy: -1.646 local terms energy: -753.432291 where: bonds (distance) C4'-P energy: -121.718 bonds (distance) P-C4' energy: -128.741 flat angles C4'-P-C4' energy: -163.728 flat angles P-C4'-P energy: -112.843 tors. eta vs tors. theta energy: -226.403 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: 429 Temperature: 0.950000 Total energy: -2641.979614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.979614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.979614 (E_RNA) where: Base-Base interactions energy: -1889.229 where: short stacking energy: -767.188 Base-Backbone interact. energy: 0.746 local terms energy: -753.496642 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -131.615 flat angles C4'-P-C4' energy: -157.004 flat angles P-C4'-P energy: -100.000 tors. eta vs tors. theta energy: -237.667 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: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2550.394927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.394927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.394927 (E_RNA) where: Base-Base interactions energy: -1819.433 where: short stacking energy: -743.123 Base-Backbone interact. energy: -1.397 local terms energy: -729.564729 where: bonds (distance) C4'-P energy: -121.117 bonds (distance) P-C4' energy: -112.019 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -106.205 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: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2498.917884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.917884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.917884 (E_RNA) where: Base-Base interactions energy: -1784.286 where: short stacking energy: -712.311 Base-Backbone interact. energy: -1.300 local terms energy: -713.331731 where: bonds (distance) C4'-P energy: -106.683 bonds (distance) P-C4' energy: -137.220 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -219.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2379.365167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.365167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.365167 (E_RNA) where: Base-Base interactions energy: -1683.251 where: short stacking energy: -678.024 Base-Backbone interact. energy: 0.259 local terms energy: -696.372913 where: bonds (distance) C4'-P energy: -118.151 bonds (distance) P-C4' energy: -114.500 flat angles C4'-P-C4' energy: -145.908 flat angles P-C4'-P energy: -101.469 tors. eta vs tors. theta energy: -216.345 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: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2323.689683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.689683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.689683 (E_RNA) where: Base-Base interactions energy: -1658.040 where: short stacking energy: -675.431 Base-Backbone interact. energy: -2.236 local terms energy: -663.413948 where: bonds (distance) C4'-P energy: -107.079 bonds (distance) P-C4' energy: -124.690 flat angles C4'-P-C4' energy: -128.048 flat angles P-C4'-P energy: -90.426 tors. eta vs tors. theta energy: -213.172 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: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2213.370427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.370427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.370427 (E_RNA) where: Base-Base interactions energy: -1563.257 where: short stacking energy: -643.117 Base-Backbone interact. energy: -2.213 local terms energy: -647.901153 where: bonds (distance) C4'-P energy: -113.899 bonds (distance) P-C4' energy: -110.969 flat angles C4'-P-C4' energy: -132.705 flat angles P-C4'-P energy: -94.506 tors. eta vs tors. theta energy: -195.822 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: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2012.080679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.080679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.080679 (E_RNA) where: Base-Base interactions energy: -1424.781 where: short stacking energy: -564.184 Base-Backbone interact. energy: -0.792 local terms energy: -586.507652 where: bonds (distance) C4'-P energy: -104.760 bonds (distance) P-C4' energy: -123.982 flat angles C4'-P-C4' energy: -119.729 flat angles P-C4'-P energy: -75.161 tors. eta vs tors. theta energy: -162.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1813.413950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.413950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.413950 (E_RNA) where: Base-Base interactions energy: -1271.852 where: short stacking energy: -536.995 Base-Backbone interact. energy: 0.970 local terms energy: -542.532247 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -105.357 flat angles C4'-P-C4' energy: -114.671 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: -139.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1088.302812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.302812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.302812 (E_RNA) where: Base-Base interactions energy: -670.390 where: short stacking energy: -316.589 Base-Backbone interact. energy: -1.806 local terms energy: -416.107639 where: bonds (distance) C4'-P energy: -101.432 bonds (distance) P-C4' energy: -105.230 flat angles C4'-P-C4' energy: -103.872 flat angles P-C4'-P energy: -59.179 tors. eta vs tors. theta energy: -46.395 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: 9 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2693.730474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.730474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.730474 (E_RNA) where: Base-Base interactions energy: -1950.799 where: short stacking energy: -772.603 Base-Backbone interact. energy: -3.160 local terms energy: -739.772149 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -128.323 flat angles C4'-P-C4' energy: -160.196 flat angles P-C4'-P energy: -101.571 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: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2634.288768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.288768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.288768 (E_RNA) where: Base-Base interactions energy: -1871.032 where: short stacking energy: -764.367 Base-Backbone interact. energy: -0.092 local terms energy: -763.164480 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -128.309 flat angles C4'-P-C4' energy: -154.929 flat angles P-C4'-P energy: -116.414 tors. eta vs tors. theta energy: -229.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2549.163203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.163203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.163203 (E_RNA) where: Base-Base interactions energy: -1811.860 where: short stacking energy: -739.663 Base-Backbone interact. energy: -1.942 local terms energy: -735.360923 where: bonds (distance) C4'-P energy: -129.798 bonds (distance) P-C4' energy: -131.987 flat angles C4'-P-C4' energy: -150.158 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -226.539 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: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2502.548829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.548829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.548829 (E_RNA) where: Base-Base interactions energy: -1782.001 where: short stacking energy: -719.594 Base-Backbone interact. energy: -0.776 local terms energy: -719.771475 where: bonds (distance) C4'-P energy: -112.871 bonds (distance) P-C4' energy: -126.752 flat angles C4'-P-C4' energy: -150.018 flat angles P-C4'-P energy: -106.998 tors. eta vs tors. theta energy: -223.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2357.264532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.264532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.264532 (E_RNA) where: Base-Base interactions energy: -1700.604 where: short stacking energy: -702.411 Base-Backbone interact. energy: -1.380 local terms energy: -655.280109 where: bonds (distance) C4'-P energy: -92.493 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -145.713 flat angles P-C4'-P energy: -98.819 tors. eta vs tors. theta energy: -198.691 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: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2307.869934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.869934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.869934 (E_RNA) where: Base-Base interactions energy: -1641.089 where: short stacking energy: -666.242 Base-Backbone interact. energy: 0.444 local terms energy: -667.225328 where: bonds (distance) C4'-P energy: -132.181 bonds (distance) P-C4' energy: -109.051 flat angles C4'-P-C4' energy: -127.023 flat angles P-C4'-P energy: -91.852 tors. eta vs tors. theta energy: -207.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2194.436624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.436624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.436624 (E_RNA) where: Base-Base interactions energy: -1548.861 where: short stacking energy: -639.318 Base-Backbone interact. energy: -2.962 local terms energy: -642.613827 where: bonds (distance) C4'-P energy: -105.223 bonds (distance) P-C4' energy: -127.242 flat angles C4'-P-C4' energy: -143.755 flat angles P-C4'-P energy: -83.636 tors. eta vs tors. theta energy: -182.758 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: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2041.552373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.552373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.552373 (E_RNA) where: Base-Base interactions energy: -1458.833 where: short stacking energy: -581.648 Base-Backbone interact. energy: -1.972 local terms energy: -580.747607 where: bonds (distance) C4'-P energy: -106.250 bonds (distance) P-C4' energy: -96.076 flat angles C4'-P-C4' energy: -122.765 flat angles P-C4'-P energy: -73.209 tors. eta vs tors. theta energy: -182.448 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: 430 Temperature: 1.300000 Total energy: -1882.740016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.740016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.740016 (E_RNA) where: Base-Base interactions energy: -1302.587 where: short stacking energy: -534.280 Base-Backbone interact. energy: -0.532 local terms energy: -579.620273 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -95.240 flat angles C4'-P-C4' energy: -132.607 flat angles P-C4'-P energy: -83.714 tors. eta vs tors. theta energy: -149.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1087.214642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.214642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.214642 (E_RNA) where: Base-Base interactions energy: -684.926 where: short stacking energy: -309.374 Base-Backbone interact. energy: -1.543 local terms energy: -400.744909 where: bonds (distance) C4'-P energy: -93.903 bonds (distance) P-C4' energy: -90.389 flat angles C4'-P-C4' energy: -107.137 flat angles P-C4'-P energy: -55.166 tors. eta vs tors. theta energy: -54.150 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: 1, replica: 9 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2699.044772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.044772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.044772 (E_RNA) where: Base-Base interactions energy: -1941.747 where: short stacking energy: -770.390 Base-Backbone interact. energy: 1.516 local terms energy: -758.813544 where: bonds (distance) C4'-P energy: -139.555 bonds (distance) P-C4' energy: -114.072 flat angles C4'-P-C4' energy: -168.369 flat angles P-C4'-P energy: -106.275 tors. eta vs tors. theta energy: -230.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2631.491845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.491845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.491845 (E_RNA) where: Base-Base interactions energy: -1861.503 where: short stacking energy: -749.745 Base-Backbone interact. energy: -1.571 local terms energy: -768.418048 where: bonds (distance) C4'-P energy: -120.917 bonds (distance) P-C4' energy: -138.911 flat angles C4'-P-C4' energy: -160.426 flat angles P-C4'-P energy: -112.665 tors. eta vs tors. theta energy: -235.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2563.589501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.589501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.589501 (E_RNA) where: Base-Base interactions energy: -1810.527 where: short stacking energy: -714.044 Base-Backbone interact. energy: -1.604 local terms energy: -751.458145 where: bonds (distance) C4'-P energy: -129.200 bonds (distance) P-C4' energy: -136.598 flat angles C4'-P-C4' energy: -156.593 flat angles P-C4'-P energy: -105.745 tors. eta vs tors. theta energy: -223.322 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: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2485.971447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.971447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.971447 (E_RNA) where: Base-Base interactions energy: -1800.208 where: short stacking energy: -711.204 Base-Backbone interact. energy: -3.892 local terms energy: -681.872061 where: bonds (distance) C4'-P energy: -111.112 bonds (distance) P-C4' energy: -109.181 flat angles C4'-P-C4' energy: -147.794 flat angles P-C4'-P energy: -100.045 tors. eta vs tors. theta energy: -213.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2345.007297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.007297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.007297 (E_RNA) where: Base-Base interactions energy: -1674.204 where: short stacking energy: -678.510 Base-Backbone interact. energy: -2.094 local terms energy: -668.709862 where: bonds (distance) C4'-P energy: -108.499 bonds (distance) P-C4' energy: -120.070 flat angles C4'-P-C4' energy: -134.890 flat angles P-C4'-P energy: -100.098 tors. eta vs tors. theta energy: -205.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2341.958511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.958511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.958511 (E_RNA) where: Base-Base interactions energy: -1628.156 where: short stacking energy: -660.795 Base-Backbone interact. energy: 0.407 local terms energy: -714.208930 where: bonds (distance) C4'-P energy: -132.920 bonds (distance) P-C4' energy: -123.754 flat angles C4'-P-C4' energy: -134.541 flat angles P-C4'-P energy: -113.479 tors. eta vs tors. theta energy: -209.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2210.913131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.913131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.913131 (E_RNA) where: Base-Base interactions energy: -1549.864 where: short stacking energy: -636.777 Base-Backbone interact. energy: -0.919 local terms energy: -660.129694 where: bonds (distance) C4'-P energy: -124.936 bonds (distance) P-C4' energy: -113.450 flat angles C4'-P-C4' energy: -144.093 flat angles P-C4'-P energy: -73.686 tors. eta vs tors. theta energy: -203.965 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: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2040.536340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.536340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.536340 (E_RNA) where: Base-Base interactions energy: -1456.252 where: short stacking energy: -568.042 Base-Backbone interact. energy: 0.221 local terms energy: -584.505339 where: bonds (distance) C4'-P energy: -94.288 bonds (distance) P-C4' energy: -115.639 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -84.448 tors. eta vs tors. theta energy: -169.418 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: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1813.313034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.313034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.313034 (E_RNA) where: Base-Base interactions energy: -1278.714 where: short stacking energy: -513.151 Base-Backbone interact. energy: 0.470 local terms energy: -535.069061 where: bonds (distance) C4'-P energy: -100.724 bonds (distance) P-C4' energy: -115.093 flat angles C4'-P-C4' energy: -125.714 flat angles P-C4'-P energy: -66.724 tors. eta vs tors. theta energy: -126.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1153.829686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.829686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.829686 (E_RNA) where: Base-Base interactions energy: -751.809 where: short stacking energy: -324.829 Base-Backbone interact. energy: -4.592 local terms energy: -397.428761 where: bonds (distance) C4'-P energy: -92.887 bonds (distance) P-C4' energy: -86.910 flat angles C4'-P-C4' energy: -106.870 flat angles P-C4'-P energy: -53.338 tors. eta vs tors. theta energy: -57.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2676.606543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.606543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.606543 (E_RNA) where: Base-Base interactions energy: -1913.209 where: short stacking energy: -742.401 Base-Backbone interact. energy: -0.606 local terms energy: -762.791282 where: bonds (distance) C4'-P energy: -136.922 bonds (distance) P-C4' energy: -143.977 flat angles C4'-P-C4' energy: -147.884 flat angles P-C4'-P energy: -111.775 tors. eta vs tors. theta energy: -222.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2647.555983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.555983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.555983 (E_RNA) where: Base-Base interactions energy: -1899.706 where: short stacking energy: -776.273 Base-Backbone interact. energy: 2.905 local terms energy: -750.754642 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -132.939 flat angles C4'-P-C4' energy: -159.518 flat angles P-C4'-P energy: -96.445 tors. eta vs tors. theta energy: -237.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2574.476308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.476308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.476308 (E_RNA) where: Base-Base interactions energy: -1817.724 where: short stacking energy: -757.666 Base-Backbone interact. energy: -1.927 local terms energy: -754.825239 where: bonds (distance) C4'-P energy: -130.647 bonds (distance) P-C4' energy: -130.412 flat angles C4'-P-C4' energy: -155.168 flat angles P-C4'-P energy: -106.023 tors. eta vs tors. theta energy: -232.575 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: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2487.799282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.799282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.799282 (E_RNA) where: Base-Base interactions energy: -1778.758 where: short stacking energy: -706.217 Base-Backbone interact. energy: 0.693 local terms energy: -709.734748 where: bonds (distance) C4'-P energy: -119.424 bonds (distance) P-C4' energy: -123.522 flat angles C4'-P-C4' energy: -150.571 flat angles P-C4'-P energy: -101.818 tors. eta vs tors. theta energy: -214.399 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: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2384.354797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.354797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.354797 (E_RNA) where: Base-Base interactions energy: -1669.758 where: short stacking energy: -686.695 Base-Backbone interact. energy: 1.480 local terms energy: -716.076832 where: bonds (distance) C4'-P energy: -117.389 bonds (distance) P-C4' energy: -128.478 flat angles C4'-P-C4' energy: -150.268 flat angles P-C4'-P energy: -107.193 tors. eta vs tors. theta energy: -212.748 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: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2296.729948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.729948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.729948 (E_RNA) where: Base-Base interactions energy: -1634.834 where: short stacking energy: -685.439 Base-Backbone interact. energy: 0.389 local terms energy: -662.284310 where: bonds (distance) C4'-P energy: -112.240 bonds (distance) P-C4' energy: -108.498 flat angles C4'-P-C4' energy: -147.922 flat angles P-C4'-P energy: -82.672 tors. eta vs tors. theta energy: -210.952 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: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2232.397685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.397685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.397685 (E_RNA) where: Base-Base interactions energy: -1588.253 where: short stacking energy: -673.668 Base-Backbone interact. energy: 2.391 local terms energy: -646.535418 where: bonds (distance) C4'-P energy: -114.085 bonds (distance) P-C4' energy: -116.816 flat angles C4'-P-C4' energy: -136.033 flat angles P-C4'-P energy: -88.229 tors. eta vs tors. theta energy: -191.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2034.664778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.664778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.664778 (E_RNA) where: Base-Base interactions energy: -1403.095 where: short stacking energy: -602.083 Base-Backbone interact. energy: -1.598 local terms energy: -629.972602 where: bonds (distance) C4'-P energy: -109.942 bonds (distance) P-C4' energy: -132.366 flat angles C4'-P-C4' energy: -136.285 flat angles P-C4'-P energy: -68.310 tors. eta vs tors. theta energy: -183.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1789.791368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.791368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.791368 (E_RNA) where: Base-Base interactions energy: -1244.938 where: short stacking energy: -508.942 Base-Backbone interact. energy: -2.050 local terms energy: -542.803297 where: bonds (distance) C4'-P energy: -108.160 bonds (distance) P-C4' energy: -106.075 flat angles C4'-P-C4' energy: -120.559 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -144.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1220.515406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.515406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.515406 (E_RNA) where: Base-Base interactions energy: -798.985 where: short stacking energy: -355.803 Base-Backbone interact. energy: -1.559 local terms energy: -419.971325 where: bonds (distance) C4'-P energy: -102.046 bonds (distance) P-C4' energy: -98.333 flat angles C4'-P-C4' energy: -103.876 flat angles P-C4'-P energy: -61.091 tors. eta vs tors. theta energy: -54.626 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: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2698.852256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.852256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.852256 (E_RNA) where: Base-Base interactions energy: -1939.061 where: short stacking energy: -780.840 Base-Backbone interact. energy: 1.762 local terms energy: -761.552719 where: bonds (distance) C4'-P energy: -132.850 bonds (distance) P-C4' energy: -131.663 flat angles C4'-P-C4' energy: -157.940 flat angles P-C4'-P energy: -107.088 tors. eta vs tors. theta energy: -232.011 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: 433 Temperature: 0.950000 Total energy: -2636.262244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.262244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.262244 (E_RNA) where: Base-Base interactions energy: -1887.502 where: short stacking energy: -764.784 Base-Backbone interact. energy: -0.492 local terms energy: -748.268135 where: bonds (distance) C4'-P energy: -120.538 bonds (distance) P-C4' energy: -138.518 flat angles C4'-P-C4' energy: -151.741 flat angles P-C4'-P energy: -105.661 tors. eta vs tors. theta energy: -231.810 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: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2508.707873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.707873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.707873 (E_RNA) where: Base-Base interactions energy: -1778.662 where: short stacking energy: -734.328 Base-Backbone interact. energy: -1.739 local terms energy: -728.307755 where: bonds (distance) C4'-P energy: -115.315 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -153.512 flat angles P-C4'-P energy: -98.274 tors. eta vs tors. theta energy: -231.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2497.490360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.490360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.490360 (E_RNA) where: Base-Base interactions energy: -1808.037 where: short stacking energy: -713.967 Base-Backbone interact. energy: -2.459 local terms energy: -686.994356 where: bonds (distance) C4'-P energy: -116.274 bonds (distance) P-C4' energy: -119.543 flat angles C4'-P-C4' energy: -144.614 flat angles P-C4'-P energy: -96.480 tors. eta vs tors. theta energy: -210.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2400.124814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.124814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.124814 (E_RNA) where: Base-Base interactions energy: -1697.201 where: short stacking energy: -712.676 Base-Backbone interact. energy: -3.360 local terms energy: -699.563714 where: bonds (distance) C4'-P energy: -109.337 bonds (distance) P-C4' energy: -122.728 flat angles C4'-P-C4' energy: -153.809 flat angles P-C4'-P energy: -93.443 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: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2330.503209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.503209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.503209 (E_RNA) where: Base-Base interactions energy: -1614.948 where: short stacking energy: -673.547 Base-Backbone interact. energy: 0.454 local terms energy: -716.009554 where: bonds (distance) C4'-P energy: -128.482 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -146.508 flat angles P-C4'-P energy: -95.576 tors. eta vs tors. theta energy: -208.479 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: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2178.182019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.182019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.182019 (E_RNA) where: Base-Base interactions energy: -1518.503 where: short stacking energy: -629.384 Base-Backbone interact. energy: -0.627 local terms energy: -659.051671 where: bonds (distance) C4'-P energy: -101.557 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -144.035 flat angles P-C4'-P energy: -101.259 tors. eta vs tors. theta energy: -197.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2067.402326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.402326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.402326 (E_RNA) where: Base-Base interactions energy: -1468.367 where: short stacking energy: -610.980 Base-Backbone interact. energy: -0.786 local terms energy: -598.249337 where: bonds (distance) C4'-P energy: -96.253 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -127.033 flat angles P-C4'-P energy: -91.907 tors. eta vs tors. theta energy: -182.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1837.830488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.830488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.830488 (E_RNA) where: Base-Base interactions energy: -1281.853 where: short stacking energy: -515.602 Base-Backbone interact. energy: -0.205 local terms energy: -555.772380 where: bonds (distance) C4'-P energy: -106.675 bonds (distance) P-C4' energy: -108.479 flat angles C4'-P-C4' energy: -112.435 flat angles P-C4'-P energy: -79.610 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: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1253.873848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.873848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.873848 (E_RNA) where: Base-Base interactions energy: -828.686 where: short stacking energy: -354.585 Base-Backbone interact. energy: 1.259 local terms energy: -426.446729 where: bonds (distance) C4'-P energy: -109.664 bonds (distance) P-C4' energy: -112.829 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -59.605 tors. eta vs tors. theta energy: -54.472 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: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2697.023165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.023165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.023165 (E_RNA) where: Base-Base interactions energy: -1925.254 where: short stacking energy: -768.903 Base-Backbone interact. energy: -0.120 local terms energy: -771.649153 where: bonds (distance) C4'-P energy: -146.723 bonds (distance) P-C4' energy: -134.493 flat angles C4'-P-C4' energy: -155.130 flat angles P-C4'-P energy: -99.519 tors. eta vs tors. theta energy: -235.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2641.578257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.578257 (E_RNA) where: Base-Base interactions energy: -1891.702 where: short stacking energy: -737.273 Base-Backbone interact. energy: 0.795 local terms energy: -750.671496 where: bonds (distance) C4'-P energy: -129.206 bonds (distance) P-C4' energy: -132.513 flat angles C4'-P-C4' energy: -160.658 flat angles P-C4'-P energy: -113.915 tors. eta vs tors. theta energy: -214.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2556.319532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.319532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.319532 (E_RNA) where: Base-Base interactions energy: -1792.309 where: short stacking energy: -741.845 Base-Backbone interact. energy: -2.029 local terms energy: -761.981721 where: bonds (distance) C4'-P energy: -122.018 bonds (distance) P-C4' energy: -141.924 flat angles C4'-P-C4' energy: -159.863 flat angles P-C4'-P energy: -106.884 tors. eta vs tors. theta energy: -231.292 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: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2467.253195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.253195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.253195 (E_RNA) where: Base-Base interactions energy: -1761.515 where: short stacking energy: -696.682 Base-Backbone interact. energy: 4.293 local terms energy: -710.030972 where: bonds (distance) C4'-P energy: -128.209 bonds (distance) P-C4' energy: -118.777 flat angles C4'-P-C4' energy: -143.692 flat angles P-C4'-P energy: -98.743 tors. eta vs tors. theta energy: -220.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2363.233752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.233752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.233752 (E_RNA) where: Base-Base interactions energy: -1677.351 where: short stacking energy: -698.242 Base-Backbone interact. energy: 1.889 local terms energy: -687.771196 where: bonds (distance) C4'-P energy: -117.355 bonds (distance) P-C4' energy: -116.021 flat angles C4'-P-C4' energy: -151.964 flat angles P-C4'-P energy: -93.835 tors. eta vs tors. theta energy: -208.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2299.326310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.326310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.326310 (E_RNA) where: Base-Base interactions energy: -1641.379 where: short stacking energy: -694.822 Base-Backbone interact. energy: 1.479 local terms energy: -659.426198 where: bonds (distance) C4'-P energy: -95.874 bonds (distance) P-C4' energy: -107.425 flat angles C4'-P-C4' energy: -142.639 flat angles P-C4'-P energy: -104.125 tors. eta vs tors. theta energy: -209.363 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: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2221.997197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.997197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.997197 (E_RNA) where: Base-Base interactions energy: -1556.255 where: short stacking energy: -626.441 Base-Backbone interact. energy: -1.311 local terms energy: -664.431213 where: bonds (distance) C4'-P energy: -115.041 bonds (distance) P-C4' energy: -101.200 flat angles C4'-P-C4' energy: -148.778 flat angles P-C4'-P energy: -105.512 tors. eta vs tors. theta energy: -193.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2052.878831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.878831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.878831 (E_RNA) where: Base-Base interactions energy: -1465.100 where: short stacking energy: -600.462 Base-Backbone interact. energy: 1.786 local terms energy: -589.565476 where: bonds (distance) C4'-P energy: -106.660 bonds (distance) P-C4' energy: -100.476 flat angles C4'-P-C4' energy: -135.326 flat angles P-C4'-P energy: -80.049 tors. eta vs tors. theta energy: -167.055 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: 434 Temperature: 1.300000 Total energy: -1822.153964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.153964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.153964 (E_RNA) where: Base-Base interactions energy: -1289.490 where: short stacking energy: -532.382 Base-Backbone interact. energy: 0.176 local terms energy: -532.839402 where: bonds (distance) C4'-P energy: -90.416 bonds (distance) P-C4' energy: -108.240 flat angles C4'-P-C4' energy: -128.582 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -125.686 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: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1169.499351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.499351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.499351 (E_RNA) where: Base-Base interactions energy: -778.498 where: short stacking energy: -332.201 Base-Backbone interact. energy: 0.814 local terms energy: -391.815068 where: bonds (distance) C4'-P energy: -112.331 bonds (distance) P-C4' energy: -86.729 flat angles C4'-P-C4' energy: -86.663 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -48.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2676.642888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.642888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.642888 (E_RNA) where: Base-Base interactions energy: -1903.804 where: short stacking energy: -776.159 Base-Backbone interact. energy: -4.089 local terms energy: -768.749553 where: bonds (distance) C4'-P energy: -129.099 bonds (distance) P-C4' energy: -128.280 flat angles C4'-P-C4' energy: -160.497 flat angles P-C4'-P energy: -119.578 tors. eta vs tors. theta energy: -231.296 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: 435 Temperature: 0.950000 Total energy: -2620.095087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.095087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.095087 (E_RNA) where: Base-Base interactions energy: -1873.609 where: short stacking energy: -740.198 Base-Backbone interact. energy: -2.855 local terms energy: -743.630974 where: bonds (distance) C4'-P energy: -120.835 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -158.841 flat angles P-C4'-P energy: -109.827 tors. eta vs tors. theta energy: -212.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2551.727491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.727491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.727491 (E_RNA) where: Base-Base interactions energy: -1816.808 where: short stacking energy: -764.917 Base-Backbone interact. energy: 1.189 local terms energy: -736.108365 where: bonds (distance) C4'-P energy: -134.365 bonds (distance) P-C4' energy: -126.319 flat angles C4'-P-C4' energy: -146.584 flat angles P-C4'-P energy: -94.551 tors. eta vs tors. theta energy: -234.289 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: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2461.884802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.884802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.884802 (E_RNA) where: Base-Base interactions energy: -1755.432 where: short stacking energy: -700.163 Base-Backbone interact. energy: -2.016 local terms energy: -704.436594 where: bonds (distance) C4'-P energy: -129.213 bonds (distance) P-C4' energy: -122.388 flat angles C4'-P-C4' energy: -145.726 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -207.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2375.359516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.359516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.359516 (E_RNA) where: Base-Base interactions energy: -1690.557 where: short stacking energy: -722.643 Base-Backbone interact. energy: 0.277 local terms energy: -685.080453 where: bonds (distance) C4'-P energy: -108.678 bonds (distance) P-C4' energy: -128.272 flat angles C4'-P-C4' energy: -138.843 flat angles P-C4'-P energy: -89.566 tors. eta vs tors. theta energy: -219.721 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: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2276.495847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.495847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.495847 (E_RNA) where: Base-Base interactions energy: -1611.975 where: short stacking energy: -666.727 Base-Backbone interact. energy: 0.565 local terms energy: -665.084984 where: bonds (distance) C4'-P energy: -119.557 bonds (distance) P-C4' energy: -128.379 flat angles C4'-P-C4' energy: -134.864 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -208.618 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: 435 Temperature: 1.200000 Total energy: -2162.041626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.041626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.041626 (E_RNA) where: Base-Base interactions energy: -1539.459 where: short stacking energy: -648.797 Base-Backbone interact. energy: -1.324 local terms energy: -621.258453 where: bonds (distance) C4'-P energy: -88.407 bonds (distance) P-C4' energy: -126.380 flat angles C4'-P-C4' energy: -132.735 flat angles P-C4'-P energy: -80.923 tors. eta vs tors. theta energy: -192.814 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: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2111.123525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.123525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.123525 (E_RNA) where: Base-Base interactions energy: -1529.850 where: short stacking energy: -607.115 Base-Backbone interact. energy: -0.275 local terms energy: -580.998703 where: bonds (distance) C4'-P energy: -95.484 bonds (distance) P-C4' energy: -103.151 flat angles C4'-P-C4' energy: -121.098 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -180.924 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: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1783.205516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.205516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.205516 (E_RNA) where: Base-Base interactions energy: -1208.087 where: short stacking energy: -507.968 Base-Backbone interact. energy: 2.465 local terms energy: -577.583506 where: bonds (distance) C4'-P energy: -114.575 bonds (distance) P-C4' energy: -99.599 flat angles C4'-P-C4' energy: -129.270 flat angles P-C4'-P energy: -91.474 tors. eta vs tors. theta energy: -142.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1161.738199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.738199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.738199 (E_RNA) where: Base-Base interactions energy: -745.530 where: short stacking energy: -301.418 Base-Backbone interact. energy: -1.965 local terms energy: -414.243315 where: bonds (distance) C4'-P energy: -108.102 bonds (distance) P-C4' energy: -90.457 flat angles C4'-P-C4' energy: -124.776 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: -34.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2685.367390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.367390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.367390 (E_RNA) where: Base-Base interactions energy: -1934.671 where: short stacking energy: -792.150 Base-Backbone interact. energy: 0.057 local terms energy: -750.753494 where: bonds (distance) C4'-P energy: -116.455 bonds (distance) P-C4' energy: -139.821 flat angles C4'-P-C4' energy: -158.219 flat angles P-C4'-P energy: -95.415 tors. eta vs tors. theta energy: -240.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2615.529891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.529891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.529891 (E_RNA) where: Base-Base interactions energy: -1876.977 where: short stacking energy: -736.216 Base-Backbone interact. energy: -0.373 local terms energy: -738.179871 where: bonds (distance) C4'-P energy: -118.584 bonds (distance) P-C4' energy: -135.546 flat angles C4'-P-C4' energy: -154.327 flat angles P-C4'-P energy: -104.333 tors. eta vs tors. theta energy: -225.390 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: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2531.630864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.630864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.630864 (E_RNA) where: Base-Base interactions energy: -1820.206 where: short stacking energy: -737.302 Base-Backbone interact. energy: -2.241 local terms energy: -709.184293 where: bonds (distance) C4'-P energy: -125.244 bonds (distance) P-C4' energy: -120.949 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -92.126 tors. eta vs tors. theta energy: -227.118 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: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2453.897669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.897669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.897669 (E_RNA) where: Base-Base interactions energy: -1750.385 where: short stacking energy: -704.441 Base-Backbone interact. energy: -5.325 local terms energy: -698.187229 where: bonds (distance) C4'-P energy: -90.966 bonds (distance) P-C4' energy: -123.395 flat angles C4'-P-C4' energy: -146.688 flat angles P-C4'-P energy: -116.910 tors. eta vs tors. theta energy: -220.229 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: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2393.510972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.510972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.510972 (E_RNA) where: Base-Base interactions energy: -1679.164 where: short stacking energy: -690.883 Base-Backbone interact. energy: -2.208 local terms energy: -712.139116 where: bonds (distance) C4'-P energy: -93.781 bonds (distance) P-C4' energy: -142.522 flat angles C4'-P-C4' energy: -152.929 flat angles P-C4'-P energy: -102.022 tors. eta vs tors. theta energy: -220.886 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: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2292.928156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.928156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.928156 (E_RNA) where: Base-Base interactions energy: -1614.438 where: short stacking energy: -653.147 Base-Backbone interact. energy: -0.134 local terms energy: -678.356604 where: bonds (distance) C4'-P energy: -126.864 bonds (distance) P-C4' energy: -111.461 flat angles C4'-P-C4' energy: -141.107 flat angles P-C4'-P energy: -92.977 tors. eta vs tors. theta energy: -205.948 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: 436 Temperature: 1.200000 Total energy: -2186.859766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.859766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.859766 (E_RNA) where: Base-Base interactions energy: -1545.304 where: short stacking energy: -632.634 Base-Backbone interact. energy: -1.137 local terms energy: -640.418084 where: bonds (distance) C4'-P energy: -95.970 bonds (distance) P-C4' energy: -122.817 flat angles C4'-P-C4' energy: -127.251 flat angles P-C4'-P energy: -91.543 tors. eta vs tors. theta energy: -202.836 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: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2078.075108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.075108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.075108 (E_RNA) where: Base-Base interactions energy: -1465.852 where: short stacking energy: -573.672 Base-Backbone interact. energy: 2.139 local terms energy: -614.362534 where: bonds (distance) C4'-P energy: -103.588 bonds (distance) P-C4' energy: -110.477 flat angles C4'-P-C4' energy: -119.015 flat angles P-C4'-P energy: -95.437 tors. eta vs tors. theta energy: -185.846 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: 436 Temperature: 1.300000 Total energy: -1665.675285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.675285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.675285 (E_RNA) where: Base-Base interactions energy: -1175.126 where: short stacking energy: -478.023 Base-Backbone interact. energy: 0.702 local terms energy: -491.251319 where: bonds (distance) C4'-P energy: -95.900 bonds (distance) P-C4' energy: -106.782 flat angles C4'-P-C4' energy: -115.289 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: -121.265 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: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1214.185456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.185456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.185456 (E_RNA) where: Base-Base interactions energy: -788.434 where: short stacking energy: -358.743 Base-Backbone interact. energy: 1.857 local terms energy: -427.608793 where: bonds (distance) C4'-P energy: -105.457 bonds (distance) P-C4' energy: -100.180 flat angles C4'-P-C4' energy: -103.592 flat angles P-C4'-P energy: -47.645 tors. eta vs tors. theta energy: -70.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2690.349976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.349976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.349976 (E_RNA) where: Base-Base interactions energy: -1917.132 where: short stacking energy: -785.885 Base-Backbone interact. energy: -0.825 local terms energy: -772.393472 where: bonds (distance) C4'-P energy: -137.908 bonds (distance) P-C4' energy: -133.925 flat angles C4'-P-C4' energy: -148.067 flat angles P-C4'-P energy: -116.019 tors. eta vs tors. theta energy: -236.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2640.298877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.298877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.298877 (E_RNA) where: Base-Base interactions energy: -1918.664 where: short stacking energy: -749.476 Base-Backbone interact. energy: -0.051 local terms energy: -721.583693 where: bonds (distance) C4'-P energy: -118.688 bonds (distance) P-C4' energy: -121.629 flat angles C4'-P-C4' energy: -152.622 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -225.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2539.991780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.991780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.991780 (E_RNA) where: Base-Base interactions energy: -1815.099 where: short stacking energy: -735.630 Base-Backbone interact. energy: 3.861 local terms energy: -728.753040 where: bonds (distance) C4'-P energy: -129.635 bonds (distance) P-C4' energy: -116.913 flat angles C4'-P-C4' energy: -156.588 flat angles P-C4'-P energy: -103.945 tors. eta vs tors. theta energy: -221.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2476.225804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.225804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.225804 (E_RNA) where: Base-Base interactions energy: -1771.617 where: short stacking energy: -715.456 Base-Backbone interact. energy: -3.995 local terms energy: -700.613746 where: bonds (distance) C4'-P energy: -124.518 bonds (distance) P-C4' energy: -120.330 flat angles C4'-P-C4' energy: -147.313 flat angles P-C4'-P energy: -92.903 tors. eta vs tors. theta energy: -215.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2414.434097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.434097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.434097 (E_RNA) where: Base-Base interactions energy: -1722.348 where: short stacking energy: -717.182 Base-Backbone interact. energy: 0.727 local terms energy: -692.813013 where: bonds (distance) C4'-P energy: -126.579 bonds (distance) P-C4' energy: -113.692 flat angles C4'-P-C4' energy: -141.135 flat angles P-C4'-P energy: -95.114 tors. eta vs tors. theta energy: -216.293 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: 7 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2286.772367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.772367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.772367 (E_RNA) where: Base-Base interactions energy: -1643.026 where: short stacking energy: -675.357 Base-Backbone interact. energy: -0.931 local terms energy: -642.815507 where: bonds (distance) C4'-P energy: -102.683 bonds (distance) P-C4' energy: -118.023 flat angles C4'-P-C4' energy: -137.796 flat angles P-C4'-P energy: -86.345 tors. eta vs tors. theta energy: -197.969 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: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2178.876581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.876581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.876581 (E_RNA) where: Base-Base interactions energy: -1535.927 where: short stacking energy: -633.431 Base-Backbone interact. energy: 1.929 local terms energy: -644.878892 where: bonds (distance) C4'-P energy: -112.866 bonds (distance) P-C4' energy: -110.795 flat angles C4'-P-C4' energy: -130.419 flat angles P-C4'-P energy: -93.130 tors. eta vs tors. theta energy: -197.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -2105.228814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.228814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.228814 (E_RNA) where: Base-Base interactions energy: -1514.548 where: short stacking energy: -605.678 Base-Backbone interact. energy: -0.944 local terms energy: -589.737062 where: bonds (distance) C4'-P energy: -120.297 bonds (distance) P-C4' energy: -97.562 flat angles C4'-P-C4' energy: -123.074 flat angles P-C4'-P energy: -69.968 tors. eta vs tors. theta energy: -178.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1712.506822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.506822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.506822 (E_RNA) where: Base-Base interactions energy: -1147.764 where: short stacking energy: -488.885 Base-Backbone interact. energy: -0.760 local terms energy: -563.982096 where: bonds (distance) C4'-P energy: -115.459 bonds (distance) P-C4' energy: -109.837 flat angles C4'-P-C4' energy: -123.821 flat angles P-C4'-P energy: -83.655 tors. eta vs tors. theta energy: -131.210 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: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1264.256562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.256562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.256562 (E_RNA) where: Base-Base interactions energy: -815.567 where: short stacking energy: -364.835 Base-Backbone interact. energy: -3.633 local terms energy: -445.057226 where: bonds (distance) C4'-P energy: -102.827 bonds (distance) P-C4' energy: -93.958 flat angles C4'-P-C4' energy: -112.167 flat angles P-C4'-P energy: -76.683 tors. eta vs tors. theta energy: -59.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2697.079829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.079829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.079829 (E_RNA) where: Base-Base interactions energy: -1920.154 where: short stacking energy: -756.304 Base-Backbone interact. energy: -0.894 local terms energy: -776.031443 where: bonds (distance) C4'-P energy: -118.974 bonds (distance) P-C4' energy: -136.075 flat angles C4'-P-C4' energy: -160.124 flat angles P-C4'-P energy: -123.836 tors. eta vs tors. theta energy: -237.022 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: 438 Temperature: 0.950000 Total energy: -2643.694335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.694335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.694335 (E_RNA) where: Base-Base interactions energy: -1906.171 where: short stacking energy: -742.905 Base-Backbone interact. energy: -3.370 local terms energy: -734.152808 where: bonds (distance) C4'-P energy: -119.229 bonds (distance) P-C4' energy: -122.082 flat angles C4'-P-C4' energy: -156.553 flat angles P-C4'-P energy: -102.935 tors. eta vs tors. theta energy: -233.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2533.124088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.124088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.124088 (E_RNA) where: Base-Base interactions energy: -1801.623 where: short stacking energy: -723.764 Base-Backbone interact. energy: -1.654 local terms energy: -729.846783 where: bonds (distance) C4'-P energy: -131.349 bonds (distance) P-C4' energy: -128.207 flat angles C4'-P-C4' energy: -146.671 flat angles P-C4'-P energy: -102.996 tors. eta vs tors. theta energy: -220.623 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: 438 Temperature: 1.050000 Total energy: -2495.962243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.962243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.962243 (E_RNA) where: Base-Base interactions energy: -1781.445 where: short stacking energy: -696.691 Base-Backbone interact. energy: -3.638 local terms energy: -710.879595 where: bonds (distance) C4'-P energy: -112.345 bonds (distance) P-C4' energy: -137.165 flat angles C4'-P-C4' energy: -141.550 flat angles P-C4'-P energy: -109.035 tors. eta vs tors. theta energy: -210.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2426.596151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.596151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.596151 (E_RNA) where: Base-Base interactions energy: -1717.913 where: short stacking energy: -717.739 Base-Backbone interact. energy: -0.512 local terms energy: -708.171017 where: bonds (distance) C4'-P energy: -124.663 bonds (distance) P-C4' energy: -126.698 flat angles C4'-P-C4' energy: -134.129 flat angles P-C4'-P energy: -108.031 tors. eta vs tors. theta energy: -214.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2290.902854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.902854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.902854 (E_RNA) where: Base-Base interactions energy: -1637.285 where: short stacking energy: -674.580 Base-Backbone interact. energy: -1.044 local terms energy: -652.573816 where: bonds (distance) C4'-P energy: -105.684 bonds (distance) P-C4' energy: -128.947 flat angles C4'-P-C4' energy: -127.413 flat angles P-C4'-P energy: -85.613 tors. eta vs tors. theta energy: -204.917 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: 438 Temperature: 1.200000 Total energy: -2213.446891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.446891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.446891 (E_RNA) where: Base-Base interactions energy: -1573.634 where: short stacking energy: -640.785 Base-Backbone interact. energy: 0.146 local terms energy: -639.958840 where: bonds (distance) C4'-P energy: -107.593 bonds (distance) P-C4' energy: -107.521 flat angles C4'-P-C4' energy: -135.104 flat angles P-C4'-P energy: -93.318 tors. eta vs tors. theta energy: -196.423 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: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2152.360083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.360083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.360083 (E_RNA) where: Base-Base interactions energy: -1544.539 where: short stacking energy: -620.806 Base-Backbone interact. energy: 2.937 local terms energy: -610.758214 where: bonds (distance) C4'-P energy: -98.273 bonds (distance) P-C4' energy: -105.629 flat angles C4'-P-C4' energy: -139.909 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -185.448 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: 438 Temperature: 1.300000 Total energy: -1776.259490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.259490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.259490 (E_RNA) where: Base-Base interactions energy: -1203.462 where: short stacking energy: -495.688 Base-Backbone interact. energy: 3.090 local terms energy: -575.887746 where: bonds (distance) C4'-P energy: -124.573 bonds (distance) P-C4' energy: -121.594 flat angles C4'-P-C4' energy: -122.371 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -137.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1272.765229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.765229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.765229 (E_RNA) where: Base-Base interactions energy: -838.259 where: short stacking energy: -371.557 Base-Backbone interact. energy: -1.370 local terms energy: -433.135953 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -92.376 flat angles C4'-P-C4' energy: -95.256 flat angles P-C4'-P energy: -73.110 tors. eta vs tors. theta energy: -71.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2721.292337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.292337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.292337 (E_RNA) where: Base-Base interactions energy: -1933.948 where: short stacking energy: -786.712 Base-Backbone interact. energy: 1.261 local terms energy: -788.605347 where: bonds (distance) C4'-P energy: -135.364 bonds (distance) P-C4' energy: -134.521 flat angles C4'-P-C4' energy: -166.433 flat angles P-C4'-P energy: -107.955 tors. eta vs tors. theta energy: -244.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2618.075771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.075771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.075771 (E_RNA) where: Base-Base interactions energy: -1889.229 where: short stacking energy: -724.207 Base-Backbone interact. energy: 0.570 local terms energy: -729.416987 where: bonds (distance) C4'-P energy: -128.242 bonds (distance) P-C4' energy: -123.920 flat angles C4'-P-C4' energy: -157.315 flat angles P-C4'-P energy: -103.372 tors. eta vs tors. theta energy: -216.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2542.574855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.574855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.574855 (E_RNA) where: Base-Base interactions energy: -1806.995 where: short stacking energy: -749.839 Base-Backbone interact. energy: -0.327 local terms energy: -735.252955 where: bonds (distance) C4'-P energy: -125.402 bonds (distance) P-C4' energy: -130.226 flat angles C4'-P-C4' energy: -156.217 flat angles P-C4'-P energy: -105.700 tors. eta vs tors. theta energy: -217.708 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: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2496.239524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.239524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.239524 (E_RNA) where: Base-Base interactions energy: -1793.316 where: short stacking energy: -723.415 Base-Backbone interact. energy: -0.719 local terms energy: -702.204541 where: bonds (distance) C4'-P energy: -115.444 bonds (distance) P-C4' energy: -122.787 flat angles C4'-P-C4' energy: -148.850 flat angles P-C4'-P energy: -100.041 tors. eta vs tors. theta energy: -215.083 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: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2357.333330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.333330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.333330 (E_RNA) where: Base-Base interactions energy: -1684.998 where: short stacking energy: -693.125 Base-Backbone interact. energy: -1.479 local terms energy: -670.857313 where: bonds (distance) C4'-P energy: -133.594 bonds (distance) P-C4' energy: -112.848 flat angles C4'-P-C4' energy: -134.029 flat angles P-C4'-P energy: -90.357 tors. eta vs tors. theta energy: -200.029 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: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2274.493730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.493730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.493730 (E_RNA) where: Base-Base interactions energy: -1592.869 where: short stacking energy: -667.075 Base-Backbone interact. energy: -1.234 local terms energy: -680.390722 where: bonds (distance) C4'-P energy: -123.495 bonds (distance) P-C4' energy: -117.356 flat angles C4'-P-C4' energy: -136.003 flat angles P-C4'-P energy: -88.547 tors. eta vs tors. theta energy: -214.990 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: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2220.196238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.196238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.196238 (E_RNA) where: Base-Base interactions energy: -1569.598 where: short stacking energy: -650.805 Base-Backbone interact. energy: 2.230 local terms energy: -652.828170 where: bonds (distance) C4'-P energy: -110.029 bonds (distance) P-C4' energy: -115.535 flat angles C4'-P-C4' energy: -148.067 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -188.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -2179.964328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.964328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.964328 (E_RNA) where: Base-Base interactions energy: -1555.555 where: short stacking energy: -629.060 Base-Backbone interact. energy: -1.434 local terms energy: -622.975902 where: bonds (distance) C4'-P energy: -100.458 bonds (distance) P-C4' energy: -109.092 flat angles C4'-P-C4' energy: -139.218 flat angles P-C4'-P energy: -74.652 tors. eta vs tors. theta energy: -199.556 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: 9, replica: 4 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1686.434472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.434472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.434472 (E_RNA) where: Base-Base interactions energy: -1151.285 where: short stacking energy: -483.879 Base-Backbone interact. energy: -2.272 local terms energy: -532.877040 where: bonds (distance) C4'-P energy: -103.767 bonds (distance) P-C4' energy: -100.301 flat angles C4'-P-C4' energy: -129.405 flat angles P-C4'-P energy: -76.355 tors. eta vs tors. theta energy: -123.049 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: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1359.390411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.390411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.390411 (E_RNA) where: Base-Base interactions energy: -902.537 where: short stacking energy: -382.137 Base-Backbone interact. energy: -2.275 local terms energy: -454.577578 where: bonds (distance) C4'-P energy: -107.304 bonds (distance) P-C4' energy: -119.202 flat angles C4'-P-C4' energy: -106.538 flat angles P-C4'-P energy: -50.951 tors. eta vs tors. theta energy: -70.583 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: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2704.405277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.405277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.405277 (E_RNA) where: Base-Base interactions energy: -1938.268 where: short stacking energy: -796.025 Base-Backbone interact. energy: -0.337 local terms energy: -765.800172 where: bonds (distance) C4'-P energy: -121.426 bonds (distance) P-C4' energy: -137.651 flat angles C4'-P-C4' energy: -162.003 flat angles P-C4'-P energy: -100.341 tors. eta vs tors. theta energy: -244.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2648.927359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.927359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.927359 (E_RNA) where: Base-Base interactions energy: -1905.765 where: short stacking energy: -738.824 Base-Backbone interact. energy: -0.989 local terms energy: -742.174167 where: bonds (distance) C4'-P energy: -121.442 bonds (distance) P-C4' energy: -137.464 flat angles C4'-P-C4' energy: -153.351 flat angles P-C4'-P energy: -105.043 tors. eta vs tors. theta energy: -224.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2537.808499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.808499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.808499 (E_RNA) where: Base-Base interactions energy: -1792.356 where: short stacking energy: -722.562 Base-Backbone interact. energy: 0.500 local terms energy: -745.952662 where: bonds (distance) C4'-P energy: -141.632 bonds (distance) P-C4' energy: -134.801 flat angles C4'-P-C4' energy: -151.647 flat angles P-C4'-P energy: -90.872 tors. eta vs tors. theta energy: -227.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2473.144112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.144112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.144112 (E_RNA) where: Base-Base interactions energy: -1746.570 where: short stacking energy: -717.718 Base-Backbone interact. energy: -0.847 local terms energy: -725.726891 where: bonds (distance) C4'-P energy: -119.687 bonds (distance) P-C4' energy: -140.449 flat angles C4'-P-C4' energy: -144.314 flat angles P-C4'-P energy: -99.510 tors. eta vs tors. theta energy: -221.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2384.065858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.065858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.065858 (E_RNA) where: Base-Base interactions energy: -1707.110 where: short stacking energy: -701.017 Base-Backbone interact. energy: -0.935 local terms energy: -676.021197 where: bonds (distance) C4'-P energy: -97.836 bonds (distance) P-C4' energy: -129.718 flat angles C4'-P-C4' energy: -143.621 flat angles P-C4'-P energy: -96.520 tors. eta vs tors. theta energy: -208.326 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: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2290.123713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.123713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.123713 (E_RNA) where: Base-Base interactions energy: -1599.717 where: short stacking energy: -674.564 Base-Backbone interact. energy: 1.138 local terms energy: -691.543925 where: bonds (distance) C4'-P energy: -114.731 bonds (distance) P-C4' energy: -124.161 flat angles C4'-P-C4' energy: -151.835 flat angles P-C4'-P energy: -90.151 tors. eta vs tors. theta energy: -210.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2244.824144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.824144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.824144 (E_RNA) where: Base-Base interactions energy: -1601.965 where: short stacking energy: -673.186 Base-Backbone interact. energy: -0.889 local terms energy: -641.969905 where: bonds (distance) C4'-P energy: -106.231 bonds (distance) P-C4' energy: -116.067 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -75.714 tors. eta vs tors. theta energy: -211.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2116.486147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.486147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.486147 (E_RNA) where: Base-Base interactions energy: -1508.368 where: short stacking energy: -593.802 Base-Backbone interact. energy: -0.676 local terms energy: -607.442342 where: bonds (distance) C4'-P energy: -106.814 bonds (distance) P-C4' energy: -108.078 flat angles C4'-P-C4' energy: -138.508 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: -174.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1726.873266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.873266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.873266 (E_RNA) where: Base-Base interactions energy: -1193.208 where: short stacking energy: -504.676 Base-Backbone interact. energy: 0.841 local terms energy: -534.506034 where: bonds (distance) C4'-P energy: -106.151 bonds (distance) P-C4' energy: -99.221 flat angles C4'-P-C4' energy: -115.530 flat angles P-C4'-P energy: -74.669 tors. eta vs tors. theta energy: -138.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1237.018762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.018762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.018762 (E_RNA) where: Base-Base interactions energy: -821.874 where: short stacking energy: -362.409 Base-Backbone interact. energy: -0.946 local terms energy: -414.198595 where: bonds (distance) C4'-P energy: -92.279 bonds (distance) P-C4' energy: -114.677 flat angles C4'-P-C4' energy: -78.635 flat angles P-C4'-P energy: -64.159 tors. eta vs tors. theta energy: -64.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2707.957700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.957700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.957700 (E_RNA) where: Base-Base interactions energy: -1934.121 where: short stacking energy: -800.815 Base-Backbone interact. energy: -0.401 local terms energy: -773.434938 where: bonds (distance) C4'-P energy: -131.588 bonds (distance) P-C4' energy: -144.227 flat angles C4'-P-C4' energy: -145.791 flat angles P-C4'-P energy: -109.523 tors. eta vs tors. theta energy: -242.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2642.304163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.304163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.304163 (E_RNA) where: Base-Base interactions energy: -1900.727 where: short stacking energy: -748.571 Base-Backbone interact. energy: -2.818 local terms energy: -738.759620 where: bonds (distance) C4'-P energy: -126.716 bonds (distance) P-C4' energy: -137.176 flat angles C4'-P-C4' energy: -156.522 flat angles P-C4'-P energy: -106.571 tors. eta vs tors. theta energy: -211.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2522.445778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.445778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.445778 (E_RNA) where: Base-Base interactions energy: -1793.766 where: short stacking energy: -742.326 Base-Backbone interact. energy: -0.385 local terms energy: -728.294427 where: bonds (distance) C4'-P energy: -125.984 bonds (distance) P-C4' energy: -116.450 flat angles C4'-P-C4' energy: -159.341 flat angles P-C4'-P energy: -111.239 tors. eta vs tors. theta energy: -215.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2490.616110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.616110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.616110 (E_RNA) where: Base-Base interactions energy: -1794.510 where: short stacking energy: -733.068 Base-Backbone interact. energy: -2.687 local terms energy: -693.418542 where: bonds (distance) C4'-P energy: -111.895 bonds (distance) P-C4' energy: -116.850 flat angles C4'-P-C4' energy: -144.513 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -225.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2404.570472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.570472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.570472 (E_RNA) where: Base-Base interactions energy: -1681.497 where: short stacking energy: -714.108 Base-Backbone interact. energy: -1.110 local terms energy: -721.962697 where: bonds (distance) C4'-P energy: -121.374 bonds (distance) P-C4' energy: -128.404 flat angles C4'-P-C4' energy: -149.077 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -215.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2288.711778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.711778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.711778 (E_RNA) where: Base-Base interactions energy: -1622.223 where: short stacking energy: -682.509 Base-Backbone interact. energy: -0.048 local terms energy: -666.441125 where: bonds (distance) C4'-P energy: -106.732 bonds (distance) P-C4' energy: -113.921 flat angles C4'-P-C4' energy: -132.370 flat angles P-C4'-P energy: -99.152 tors. eta vs tors. theta energy: -214.266 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: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2208.546504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.546504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.546504 (E_RNA) where: Base-Base interactions energy: -1562.158 where: short stacking energy: -627.177 Base-Backbone interact. energy: 0.243 local terms energy: -646.632296 where: bonds (distance) C4'-P energy: -115.673 bonds (distance) P-C4' energy: -130.562 flat angles C4'-P-C4' energy: -123.885 flat angles P-C4'-P energy: -74.556 tors. eta vs tors. theta energy: -201.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -2140.506946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.506946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.506946 (E_RNA) where: Base-Base interactions energy: -1531.242 where: short stacking energy: -610.453 Base-Backbone interact. energy: 0.216 local terms energy: -609.481087 where: bonds (distance) C4'-P energy: -110.056 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -132.215 flat angles P-C4'-P energy: -69.714 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: 9, replica: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1729.650068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.650068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.650068 (E_RNA) where: Base-Base interactions energy: -1208.052 where: short stacking energy: -484.410 Base-Backbone interact. energy: 2.999 local terms energy: -524.596431 where: bonds (distance) C4'-P energy: -111.222 bonds (distance) P-C4' energy: -103.724 flat angles C4'-P-C4' energy: -121.488 flat angles P-C4'-P energy: -70.613 tors. eta vs tors. theta energy: -117.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1244.674204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.674204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.674204 (E_RNA) where: Base-Base interactions energy: -797.347 where: short stacking energy: -350.632 Base-Backbone interact. energy: 1.676 local terms energy: -449.003324 where: bonds (distance) C4'-P energy: -107.334 bonds (distance) P-C4' energy: -106.589 flat angles C4'-P-C4' energy: -104.901 flat angles P-C4'-P energy: -71.377 tors. eta vs tors. theta energy: -58.802 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: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2711.784073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.784073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.784073 (E_RNA) where: Base-Base interactions energy: -1939.527 where: short stacking energy: -802.940 Base-Backbone interact. energy: -0.923 local terms energy: -771.333922 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -133.106 flat angles C4'-P-C4' energy: -161.493 flat angles P-C4'-P energy: -111.248 tors. eta vs tors. theta energy: -246.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2649.730008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.730008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.730008 (E_RNA) where: Base-Base interactions energy: -1904.235 where: short stacking energy: -746.565 Base-Backbone interact. energy: -0.758 local terms energy: -744.736708 where: bonds (distance) C4'-P energy: -124.603 bonds (distance) P-C4' energy: -142.028 flat angles C4'-P-C4' energy: -150.521 flat angles P-C4'-P energy: -104.486 tors. eta vs tors. theta energy: -223.100 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: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2532.999169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.999169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.999169 (E_RNA) where: Base-Base interactions energy: -1807.197 where: short stacking energy: -744.567 Base-Backbone interact. energy: -4.023 local terms energy: -721.778815 where: bonds (distance) C4'-P energy: -122.503 bonds (distance) P-C4' energy: -129.963 flat angles C4'-P-C4' energy: -152.401 flat angles P-C4'-P energy: -97.453 tors. eta vs tors. theta energy: -219.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2494.589431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.589431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.589431 (E_RNA) where: Base-Base interactions energy: -1788.958 where: short stacking energy: -739.295 Base-Backbone interact. energy: 6.257 local terms energy: -711.888210 where: bonds (distance) C4'-P energy: -109.116 bonds (distance) P-C4' energy: -133.266 flat angles C4'-P-C4' energy: -148.233 flat angles P-C4'-P energy: -89.692 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: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2391.044220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.044220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.044220 (E_RNA) where: Base-Base interactions energy: -1715.786 where: short stacking energy: -725.761 Base-Backbone interact. energy: 0.232 local terms energy: -675.490813 where: bonds (distance) C4'-P energy: -120.123 bonds (distance) P-C4' energy: -114.319 flat angles C4'-P-C4' energy: -139.862 flat angles P-C4'-P energy: -86.062 tors. eta vs tors. theta energy: -215.126 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: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2297.342867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.342867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.342867 (E_RNA) where: Base-Base interactions energy: -1610.604 where: short stacking energy: -648.801 Base-Backbone interact. energy: -2.447 local terms energy: -684.291846 where: bonds (distance) C4'-P energy: -129.601 bonds (distance) P-C4' energy: -120.415 flat angles C4'-P-C4' energy: -135.399 flat angles P-C4'-P energy: -90.110 tors. eta vs tors. theta energy: -208.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2209.799581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.799581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.799581 (E_RNA) where: Base-Base interactions energy: -1558.512 where: short stacking energy: -632.851 Base-Backbone interact. energy: -0.937 local terms energy: -650.350294 where: bonds (distance) C4'-P energy: -111.306 bonds (distance) P-C4' energy: -101.333 flat angles C4'-P-C4' energy: -139.346 flat angles P-C4'-P energy: -95.791 tors. eta vs tors. theta energy: -202.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -2169.461648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.461648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.461648 (E_RNA) where: Base-Base interactions energy: -1532.113 where: short stacking energy: -608.768 Base-Backbone interact. energy: 5.638 local terms energy: -642.986399 where: bonds (distance) C4'-P energy: -124.778 bonds (distance) P-C4' energy: -120.249 flat angles C4'-P-C4' energy: -130.210 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -192.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1672.732918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.732918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.732918 (E_RNA) where: Base-Base interactions energy: -1128.070 where: short stacking energy: -454.359 Base-Backbone interact. energy: 2.920 local terms energy: -547.583015 where: bonds (distance) C4'-P energy: -112.734 bonds (distance) P-C4' energy: -133.644 flat angles C4'-P-C4' energy: -113.464 flat angles P-C4'-P energy: -61.464 tors. eta vs tors. theta energy: -126.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1191.106653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.106653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.106653 (E_RNA) where: Base-Base interactions energy: -789.025 where: short stacking energy: -343.661 Base-Backbone interact. energy: 2.072 local terms energy: -404.153620 where: bonds (distance) C4'-P energy: -87.023 bonds (distance) P-C4' energy: -99.921 flat angles C4'-P-C4' energy: -84.039 flat angles P-C4'-P energy: -72.306 tors. eta vs tors. theta energy: -60.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2682.100535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.100535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.100535 (E_RNA) where: Base-Base interactions energy: -1906.605 where: short stacking energy: -769.435 Base-Backbone interact. energy: -2.283 local terms energy: -773.212857 where: bonds (distance) C4'-P energy: -129.352 bonds (distance) P-C4' energy: -134.992 flat angles C4'-P-C4' energy: -152.198 flat angles P-C4'-P energy: -119.361 tors. eta vs tors. theta energy: -237.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2650.190805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.190805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.190805 (E_RNA) where: Base-Base interactions energy: -1923.677 where: short stacking energy: -748.337 Base-Backbone interact. energy: -1.028 local terms energy: -725.486370 where: bonds (distance) C4'-P energy: -126.060 bonds (distance) P-C4' energy: -119.772 flat angles C4'-P-C4' energy: -159.449 flat angles P-C4'-P energy: -100.814 tors. eta vs tors. theta energy: -219.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2545.290824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.290824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.290824 (E_RNA) where: Base-Base interactions energy: -1822.411 where: short stacking energy: -732.481 Base-Backbone interact. energy: -4.254 local terms energy: -718.625731 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -119.337 flat angles C4'-P-C4' energy: -155.095 flat angles P-C4'-P energy: -99.678 tors. eta vs tors. theta energy: -222.383 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: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2491.278176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.278176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.278176 (E_RNA) where: Base-Base interactions energy: -1762.833 where: short stacking energy: -722.695 Base-Backbone interact. energy: -1.014 local terms energy: -727.431007 where: bonds (distance) C4'-P energy: -127.590 bonds (distance) P-C4' energy: -123.268 flat angles C4'-P-C4' energy: -155.428 flat angles P-C4'-P energy: -94.583 tors. eta vs tors. theta energy: -226.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2381.950817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.950817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.950817 (E_RNA) where: Base-Base interactions energy: -1695.531 where: short stacking energy: -689.367 Base-Backbone interact. energy: -1.564 local terms energy: -684.856160 where: bonds (distance) C4'-P energy: -115.829 bonds (distance) P-C4' energy: -136.639 flat angles C4'-P-C4' energy: -142.347 flat angles P-C4'-P energy: -89.000 tors. eta vs tors. theta energy: -201.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2315.924346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.924346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.924346 (E_RNA) where: Base-Base interactions energy: -1661.988 where: short stacking energy: -687.385 Base-Backbone interact. energy: 1.529 local terms energy: -655.465377 where: bonds (distance) C4'-P energy: -114.278 bonds (distance) P-C4' energy: -106.962 flat angles C4'-P-C4' energy: -125.606 flat angles P-C4'-P energy: -94.613 tors. eta vs tors. theta energy: -214.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2235.245761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.245761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.245761 (E_RNA) where: Base-Base interactions energy: -1563.554 where: short stacking energy: -642.677 Base-Backbone interact. energy: -1.826 local terms energy: -669.865771 where: bonds (distance) C4'-P energy: -119.812 bonds (distance) P-C4' energy: -107.673 flat angles C4'-P-C4' energy: -141.765 flat angles P-C4'-P energy: -96.525 tors. eta vs tors. theta energy: -204.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2129.434481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.434481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.434481 (E_RNA) where: Base-Base interactions energy: -1479.589 where: short stacking energy: -588.919 Base-Backbone interact. energy: -0.887 local terms energy: -648.958510 where: bonds (distance) C4'-P energy: -108.287 bonds (distance) P-C4' energy: -119.150 flat angles C4'-P-C4' energy: -138.575 flat angles P-C4'-P energy: -91.003 tors. eta vs tors. theta energy: -191.944 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: 443 Temperature: 1.300000 Total energy: -1770.522105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.522105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.522105 (E_RNA) where: Base-Base interactions energy: -1238.316 where: short stacking energy: -527.095 Base-Backbone interact. energy: 0.425 local terms energy: -532.631787 where: bonds (distance) C4'-P energy: -109.934 bonds (distance) P-C4' energy: -112.479 flat angles C4'-P-C4' energy: -116.734 flat angles P-C4'-P energy: -57.487 tors. eta vs tors. theta energy: -135.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1234.608156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.608156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.608156 (E_RNA) where: Base-Base interactions energy: -780.277 where: short stacking energy: -333.503 Base-Backbone interact. energy: 0.187 local terms energy: -454.518175 where: bonds (distance) C4'-P energy: -117.631 bonds (distance) P-C4' energy: -99.144 flat angles C4'-P-C4' energy: -119.573 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -56.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2710.501356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.501356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.501356 (E_RNA) where: Base-Base interactions energy: -1927.920 where: short stacking energy: -797.337 Base-Backbone interact. energy: -1.228 local terms energy: -781.353415 where: bonds (distance) C4'-P energy: -129.142 bonds (distance) P-C4' energy: -139.109 flat angles C4'-P-C4' energy: -157.033 flat angles P-C4'-P energy: -116.479 tors. eta vs tors. theta energy: -239.591 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: 444 Temperature: 0.950000 Total energy: -2645.204742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.204742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.204742 (E_RNA) where: Base-Base interactions energy: -1870.576 where: short stacking energy: -758.609 Base-Backbone interact. energy: -0.913 local terms energy: -773.715051 where: bonds (distance) C4'-P energy: -133.266 bonds (distance) P-C4' energy: -137.289 flat angles C4'-P-C4' energy: -164.713 flat angles P-C4'-P energy: -104.403 tors. eta vs tors. theta energy: -234.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2538.914911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.914911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.914911 (E_RNA) where: Base-Base interactions energy: -1791.912 where: short stacking energy: -723.406 Base-Backbone interact. energy: -1.304 local terms energy: -745.699063 where: bonds (distance) C4'-P energy: -139.925 bonds (distance) P-C4' energy: -120.053 flat angles C4'-P-C4' energy: -157.012 flat angles P-C4'-P energy: -100.376 tors. eta vs tors. theta energy: -228.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2481.760157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.760157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.760157 (E_RNA) where: Base-Base interactions energy: -1766.656 where: short stacking energy: -722.031 Base-Backbone interact. energy: -5.442 local terms energy: -709.661579 where: bonds (distance) C4'-P energy: -118.916 bonds (distance) P-C4' energy: -127.765 flat angles C4'-P-C4' energy: -149.969 flat angles P-C4'-P energy: -98.302 tors. eta vs tors. theta energy: -214.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2318.779047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.779047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.779047 (E_RNA) where: Base-Base interactions energy: -1627.982 where: short stacking energy: -691.047 Base-Backbone interact. energy: -1.836 local terms energy: -688.961305 where: bonds (distance) C4'-P energy: -103.681 bonds (distance) P-C4' energy: -114.385 flat angles C4'-P-C4' energy: -150.541 flat angles P-C4'-P energy: -103.940 tors. eta vs tors. theta energy: -216.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2269.946114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.946114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.946114 (E_RNA) where: Base-Base interactions energy: -1584.693 where: short stacking energy: -664.502 Base-Backbone interact. energy: -2.067 local terms energy: -683.185263 where: bonds (distance) C4'-P energy: -118.592 bonds (distance) P-C4' energy: -122.796 flat angles C4'-P-C4' energy: -146.270 flat angles P-C4'-P energy: -100.427 tors. eta vs tors. theta energy: -195.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2229.192023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.192023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.192023 (E_RNA) where: Base-Base interactions energy: -1587.304 where: short stacking energy: -640.768 Base-Backbone interact. energy: -0.879 local terms energy: -641.009428 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -111.220 flat angles C4'-P-C4' energy: -136.834 flat angles P-C4'-P energy: -88.821 tors. eta vs tors. theta energy: -189.262 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: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -2077.588477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.588477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.588477 (E_RNA) where: Base-Base interactions energy: -1492.109 where: short stacking energy: -581.600 Base-Backbone interact. energy: 0.246 local terms energy: -585.725295 where: bonds (distance) C4'-P energy: -103.672 bonds (distance) P-C4' energy: -114.853 flat angles C4'-P-C4' energy: -111.720 flat angles P-C4'-P energy: -89.621 tors. eta vs tors. theta energy: -165.859 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: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1693.315188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.315188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.315188 (E_RNA) where: Base-Base interactions energy: -1171.628 where: short stacking energy: -484.740 Base-Backbone interact. energy: 1.349 local terms energy: -523.036741 where: bonds (distance) C4'-P energy: -102.955 bonds (distance) P-C4' energy: -107.289 flat angles C4'-P-C4' energy: -116.141 flat angles P-C4'-P energy: -71.486 tors. eta vs tors. theta energy: -125.166 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: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1214.844424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.844424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.844424 (E_RNA) where: Base-Base interactions energy: -782.271 where: short stacking energy: -366.651 Base-Backbone interact. energy: -0.049 local terms energy: -432.523843 where: bonds (distance) C4'-P energy: -91.685 bonds (distance) P-C4' energy: -106.485 flat angles C4'-P-C4' energy: -108.128 flat angles P-C4'-P energy: -67.225 tors. eta vs tors. theta energy: -59.001 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: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2682.331074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.331074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.331074 (E_RNA) where: Base-Base interactions energy: -1899.352 where: short stacking energy: -790.606 Base-Backbone interact. energy: -3.009 local terms energy: -779.970016 where: bonds (distance) C4'-P energy: -132.375 bonds (distance) P-C4' energy: -137.370 flat angles C4'-P-C4' energy: -158.793 flat angles P-C4'-P energy: -111.695 tors. eta vs tors. theta energy: -239.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2668.094233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.094233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.094233 (E_RNA) where: Base-Base interactions energy: -1905.080 where: short stacking energy: -760.686 Base-Backbone interact. energy: -3.127 local terms energy: -759.886797 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -133.574 flat angles C4'-P-C4' energy: -168.267 flat angles P-C4'-P energy: -101.216 tors. eta vs tors. theta energy: -226.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2516.235104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.235104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.235104 (E_RNA) where: Base-Base interactions energy: -1778.803 where: short stacking energy: -734.997 Base-Backbone interact. energy: 0.444 local terms energy: -737.875407 where: bonds (distance) C4'-P energy: -120.555 bonds (distance) P-C4' energy: -135.202 flat angles C4'-P-C4' energy: -156.794 flat angles P-C4'-P energy: -99.625 tors. eta vs tors. theta energy: -225.700 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: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2477.570874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.570874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.570874 (E_RNA) where: Base-Base interactions energy: -1780.653 where: short stacking energy: -726.953 Base-Backbone interact. energy: -0.525 local terms energy: -696.393001 where: bonds (distance) C4'-P energy: -118.915 bonds (distance) P-C4' energy: -112.740 flat angles C4'-P-C4' energy: -149.651 flat angles P-C4'-P energy: -107.091 tors. eta vs tors. theta energy: -207.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2375.210501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.210501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.210501 (E_RNA) where: Base-Base interactions energy: -1688.657 where: short stacking energy: -688.023 Base-Backbone interact. energy: -2.242 local terms energy: -684.310835 where: bonds (distance) C4'-P energy: -115.771 bonds (distance) P-C4' energy: -104.047 flat angles C4'-P-C4' energy: -144.925 flat angles P-C4'-P energy: -99.089 tors. eta vs tors. theta energy: -220.480 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: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2266.228657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.228657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.228657 (E_RNA) where: Base-Base interactions energy: -1604.363 where: short stacking energy: -670.631 Base-Backbone interact. energy: -0.735 local terms energy: -661.131107 where: bonds (distance) C4'-P energy: -106.723 bonds (distance) P-C4' energy: -117.862 flat angles C4'-P-C4' energy: -146.058 flat angles P-C4'-P energy: -93.134 tors. eta vs tors. theta energy: -197.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2209.497244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.497244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.497244 (E_RNA) where: Base-Base interactions energy: -1579.467 where: short stacking energy: -628.877 Base-Backbone interact. energy: -0.306 local terms energy: -629.724443 where: bonds (distance) C4'-P energy: -94.136 bonds (distance) P-C4' energy: -119.570 flat angles C4'-P-C4' energy: -136.385 flat angles P-C4'-P energy: -86.503 tors. eta vs tors. theta energy: -193.130 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: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2199.286420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.286420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.286420 (E_RNA) where: Base-Base interactions energy: -1560.962 where: short stacking energy: -609.171 Base-Backbone interact. energy: 0.570 local terms energy: -638.895202 where: bonds (distance) C4'-P energy: -105.035 bonds (distance) P-C4' energy: -116.256 flat angles C4'-P-C4' energy: -141.240 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -191.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1694.195767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.195767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.195767 (E_RNA) where: Base-Base interactions energy: -1189.689 where: short stacking energy: -484.931 Base-Backbone interact. energy: -1.776 local terms energy: -502.729959 where: bonds (distance) C4'-P energy: -107.020 bonds (distance) P-C4' energy: -105.887 flat angles C4'-P-C4' energy: -111.321 flat angles P-C4'-P energy: -55.967 tors. eta vs tors. theta energy: -122.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1198.874263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.874263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.874263 (E_RNA) where: Base-Base interactions energy: -775.800 where: short stacking energy: -332.064 Base-Backbone interact. energy: -2.494 local terms energy: -420.579565 where: bonds (distance) C4'-P energy: -93.453 bonds (distance) P-C4' energy: -107.624 flat angles C4'-P-C4' energy: -102.490 flat angles P-C4'-P energy: -74.056 tors. eta vs tors. theta energy: -42.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2713.741482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.741482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.741482 (E_RNA) where: Base-Base interactions energy: -1929.259 where: short stacking energy: -792.663 Base-Backbone interact. energy: -0.453 local terms energy: -784.028716 where: bonds (distance) C4'-P energy: -137.538 bonds (distance) P-C4' energy: -130.813 flat angles C4'-P-C4' energy: -163.256 flat angles P-C4'-P energy: -107.516 tors. eta vs tors. theta energy: -244.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2639.414095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.414095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.414095 (E_RNA) where: Base-Base interactions energy: -1900.243 where: short stacking energy: -735.758 Base-Backbone interact. energy: -0.862 local terms energy: -738.308418 where: bonds (distance) C4'-P energy: -122.320 bonds (distance) P-C4' energy: -122.144 flat angles C4'-P-C4' energy: -161.565 flat angles P-C4'-P energy: -106.181 tors. eta vs tors. theta energy: -226.097 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: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2523.453243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.453243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.453243 (E_RNA) where: Base-Base interactions energy: -1787.429 where: short stacking energy: -731.516 Base-Backbone interact. energy: -1.396 local terms energy: -734.628975 where: bonds (distance) C4'-P energy: -129.431 bonds (distance) P-C4' energy: -113.994 flat angles C4'-P-C4' energy: -151.916 flat angles P-C4'-P energy: -100.925 tors. eta vs tors. theta energy: -238.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2532.680651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.680651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.680651 (E_RNA) where: Base-Base interactions energy: -1782.789 where: short stacking energy: -734.198 Base-Backbone interact. energy: 3.848 local terms energy: -753.739530 where: bonds (distance) C4'-P energy: -130.021 bonds (distance) P-C4' energy: -138.181 flat angles C4'-P-C4' energy: -150.989 flat angles P-C4'-P energy: -106.105 tors. eta vs tors. theta energy: -228.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2369.421909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.421909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.421909 (E_RNA) where: Base-Base interactions energy: -1675.086 where: short stacking energy: -706.101 Base-Backbone interact. energy: -5.516 local terms energy: -688.820117 where: bonds (distance) C4'-P energy: -107.417 bonds (distance) P-C4' energy: -124.242 flat angles C4'-P-C4' energy: -143.478 flat angles P-C4'-P energy: -104.403 tors. eta vs tors. theta energy: -209.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2315.201348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.201348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.201348 (E_RNA) where: Base-Base interactions energy: -1643.762 where: short stacking energy: -690.386 Base-Backbone interact. energy: -1.506 local terms energy: -669.933030 where: bonds (distance) C4'-P energy: -122.633 bonds (distance) P-C4' energy: -97.059 flat angles C4'-P-C4' energy: -139.219 flat angles P-C4'-P energy: -95.649 tors. eta vs tors. theta energy: -215.373 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: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2204.342905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.342905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.342905 (E_RNA) where: Base-Base interactions energy: -1566.933 where: short stacking energy: -638.062 Base-Backbone interact. energy: -0.686 local terms energy: -636.723702 where: bonds (distance) C4'-P energy: -110.817 bonds (distance) P-C4' energy: -118.724 flat angles C4'-P-C4' energy: -130.817 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -189.582 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: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2117.313959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.313959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.313959 (E_RNA) where: Base-Base interactions energy: -1524.698 where: short stacking energy: -594.038 Base-Backbone interact. energy: -2.299 local terms energy: -590.316870 where: bonds (distance) C4'-P energy: -92.688 bonds (distance) P-C4' energy: -93.780 flat angles C4'-P-C4' energy: -150.973 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: -181.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1571.100118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.100118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.100118 (E_RNA) where: Base-Base interactions energy: -1072.514 where: short stacking energy: -440.186 Base-Backbone interact. energy: 2.707 local terms energy: -501.292478 where: bonds (distance) C4'-P energy: -100.698 bonds (distance) P-C4' energy: -106.921 flat angles C4'-P-C4' energy: -129.073 flat angles P-C4'-P energy: -51.026 tors. eta vs tors. theta energy: -113.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1287.227472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.227472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.227472 (E_RNA) where: Base-Base interactions energy: -850.047 where: short stacking energy: -389.218 Base-Backbone interact. energy: -2.003 local terms energy: -435.176776 where: bonds (distance) C4'-P energy: -98.413 bonds (distance) P-C4' energy: -102.255 flat angles C4'-P-C4' energy: -110.639 flat angles P-C4'-P energy: -72.050 tors. eta vs tors. theta energy: -51.821 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: 447 Temperature: 0.900000 Total energy: -2699.297523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.297523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.297523 (E_RNA) where: Base-Base interactions energy: -1906.373 where: short stacking energy: -769.528 Base-Backbone interact. energy: -1.801 local terms energy: -791.123286 where: bonds (distance) C4'-P energy: -151.572 bonds (distance) P-C4' energy: -148.423 flat angles C4'-P-C4' energy: -148.748 flat angles P-C4'-P energy: -110.241 tors. eta vs tors. theta energy: -232.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2656.117882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.117882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.117882 (E_RNA) where: Base-Base interactions energy: -1894.953 where: short stacking energy: -737.062 Base-Backbone interact. energy: -2.372 local terms energy: -758.793041 where: bonds (distance) C4'-P energy: -137.968 bonds (distance) P-C4' energy: -127.843 flat angles C4'-P-C4' energy: -166.305 flat angles P-C4'-P energy: -97.772 tors. eta vs tors. theta energy: -228.904 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: 3, replica: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2542.143857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.143857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.143857 (E_RNA) where: Base-Base interactions energy: -1788.171 where: short stacking energy: -726.546 Base-Backbone interact. energy: -3.996 local terms energy: -749.976050 where: bonds (distance) C4'-P energy: -132.604 bonds (distance) P-C4' energy: -133.589 flat angles C4'-P-C4' energy: -153.979 flat angles P-C4'-P energy: -103.700 tors. eta vs tors. theta energy: -226.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2513.881101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.881101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.881101 (E_RNA) where: Base-Base interactions energy: -1789.074 where: short stacking energy: -728.214 Base-Backbone interact. energy: -0.906 local terms energy: -723.900634 where: bonds (distance) C4'-P energy: -117.533 bonds (distance) P-C4' energy: -130.210 flat angles C4'-P-C4' energy: -157.978 flat angles P-C4'-P energy: -98.532 tors. eta vs tors. theta energy: -219.648 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: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2359.559775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.559775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.559775 (E_RNA) where: Base-Base interactions energy: -1667.611 where: short stacking energy: -694.048 Base-Backbone interact. energy: -1.558 local terms energy: -690.390824 where: bonds (distance) C4'-P energy: -122.477 bonds (distance) P-C4' energy: -117.597 flat angles C4'-P-C4' energy: -141.978 flat angles P-C4'-P energy: -100.852 tors. eta vs tors. theta energy: -207.486 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: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2264.441828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.441828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.441828 (E_RNA) where: Base-Base interactions energy: -1610.059 where: short stacking energy: -689.160 Base-Backbone interact. energy: -2.468 local terms energy: -651.915197 where: bonds (distance) C4'-P energy: -112.968 bonds (distance) P-C4' energy: -110.195 flat angles C4'-P-C4' energy: -140.332 flat angles P-C4'-P energy: -84.563 tors. eta vs tors. theta energy: -203.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2214.469132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.469132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.469132 (E_RNA) where: Base-Base interactions energy: -1563.952 where: short stacking energy: -668.458 Base-Backbone interact. energy: -2.014 local terms energy: -648.503259 where: bonds (distance) C4'-P energy: -106.928 bonds (distance) P-C4' energy: -91.111 flat angles C4'-P-C4' energy: -144.656 flat angles P-C4'-P energy: -86.423 tors. eta vs tors. theta energy: -219.386 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: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2173.190796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.190796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.190796 (E_RNA) where: Base-Base interactions energy: -1544.357 where: short stacking energy: -615.276 Base-Backbone interact. energy: 0.537 local terms energy: -629.370401 where: bonds (distance) C4'-P energy: -109.605 bonds (distance) P-C4' energy: -112.752 flat angles C4'-P-C4' energy: -143.010 flat angles P-C4'-P energy: -80.320 tors. eta vs tors. theta energy: -183.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1592.606285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.606285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.606285 (E_RNA) where: Base-Base interactions energy: -1083.238 where: short stacking energy: -455.788 Base-Backbone interact. energy: 1.107 local terms energy: -510.475282 where: bonds (distance) C4'-P energy: -96.349 bonds (distance) P-C4' energy: -112.236 flat angles C4'-P-C4' energy: -120.319 flat angles P-C4'-P energy: -65.707 tors. eta vs tors. theta energy: -115.865 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: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1334.859878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.859878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.859878 (E_RNA) where: Base-Base interactions energy: -873.430 where: short stacking energy: -401.608 Base-Backbone interact. energy: -0.495 local terms energy: -460.934562 where: bonds (distance) C4'-P energy: -117.767 bonds (distance) P-C4' energy: -97.974 flat angles C4'-P-C4' energy: -109.582 flat angles P-C4'-P energy: -71.716 tors. eta vs tors. theta energy: -63.895 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE