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-dc596560/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-dc596560/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-dc596560/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-dc596560/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-dc596560/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-dc596560/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-dc596560/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-dc596560/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-dc596560/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-dc596560/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: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1400.578316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.578316 (E_RNA) where: Base-Base interactions energy: -966.076 where: short stacking energy: -486.654 Base-Backbone interact. energy: 14.989 local terms energy: -449.491873 where: bonds (distance) C4'-P energy: -139.795 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -159.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -2258.197649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.197649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.197649 (E_RNA) where: Base-Base interactions energy: -1534.333 where: short stacking energy: -693.393 Base-Backbone interact. energy: -2.584 local terms energy: -721.279889 where: bonds (distance) C4'-P energy: -125.901 bonds (distance) P-C4' energy: -137.332 flat angles C4'-P-C4' energy: -151.938 flat angles P-C4'-P energy: -107.113 tors. eta vs tors. theta energy: -198.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -2104.605298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.605298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.605298 (E_RNA) where: Base-Base interactions energy: -1441.845 where: short stacking energy: -610.645 Base-Backbone interact. energy: 1.219 local terms energy: -663.979514 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -124.358 flat angles C4'-P-C4' energy: -135.384 flat angles P-C4'-P energy: -96.429 tors. eta vs tors. theta energy: -178.224 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: 2 Temperature: 1.000000 Total energy: -2214.880295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.880295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.880295 (E_RNA) where: Base-Base interactions energy: -1477.388 where: short stacking energy: -688.741 Base-Backbone interact. energy: -1.521 local terms energy: -735.971288 where: bonds (distance) C4'-P energy: -123.538 bonds (distance) P-C4' energy: -146.766 flat angles C4'-P-C4' energy: -158.244 flat angles P-C4'-P energy: -105.282 tors. eta vs tors. theta energy: -202.141 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -2103.039951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.039951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.039951 (E_RNA) where: Base-Base interactions energy: -1449.875 where: short stacking energy: -625.624 Base-Backbone interact. energy: -3.944 local terms energy: -649.220613 where: bonds (distance) C4'-P energy: -113.738 bonds (distance) P-C4' energy: -115.787 flat angles C4'-P-C4' energy: -135.553 flat angles P-C4'-P energy: -100.779 tors. eta vs tors. theta energy: -183.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -2036.206956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.206956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.206956 (E_RNA) where: Base-Base interactions energy: -1404.580 where: short stacking energy: -621.174 Base-Backbone interact. energy: -3.671 local terms energy: -627.956002 where: bonds (distance) C4'-P energy: -121.905 bonds (distance) P-C4' energy: -112.994 flat angles C4'-P-C4' energy: -133.984 flat angles P-C4'-P energy: -77.299 tors. eta vs tors. theta energy: -181.775 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1871.524637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.524637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.524637 (E_RNA) where: Base-Base interactions energy: -1246.885 where: short stacking energy: -550.245 Base-Backbone interact. energy: 0.211 local terms energy: -624.851242 where: bonds (distance) C4'-P energy: -127.077 bonds (distance) P-C4' energy: -130.607 flat angles C4'-P-C4' energy: -137.337 flat angles P-C4'-P energy: -85.212 tors. eta vs tors. theta energy: -144.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1771.894251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.894251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.894251 (E_RNA) where: Base-Base interactions energy: -1197.143 where: short stacking energy: -536.435 Base-Backbone interact. energy: -0.447 local terms energy: -574.303717 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -118.312 flat angles C4'-P-C4' energy: -139.643 flat angles P-C4'-P energy: -79.675 tors. eta vs tors. theta energy: -128.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1647.990265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.990265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.990265 (E_RNA) where: Base-Base interactions energy: -1096.155 where: short stacking energy: -500.960 Base-Backbone interact. energy: -1.726 local terms energy: -550.108482 where: bonds (distance) C4'-P energy: -122.906 bonds (distance) P-C4' energy: -100.047 flat angles C4'-P-C4' energy: -115.601 flat angles P-C4'-P energy: -69.988 tors. eta vs tors. theta energy: -141.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1594.463746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.463746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.463746 (E_RNA) where: Base-Base interactions energy: -1061.745 where: short stacking energy: -476.526 Base-Backbone interact. energy: -2.974 local terms energy: -529.745492 where: bonds (distance) C4'-P energy: -104.848 bonds (distance) P-C4' energy: -101.801 flat angles C4'-P-C4' energy: -119.300 flat angles P-C4'-P energy: -64.678 tors. eta vs tors. theta energy: -139.119 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: 2 Temperature: 1.350000 Total energy: -1581.410715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.410715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.410715 (E_RNA) where: Base-Base interactions energy: -1034.899 where: short stacking energy: -462.510 Base-Backbone interact. energy: 4.240 local terms energy: -550.750808 where: bonds (distance) C4'-P energy: -113.077 bonds (distance) P-C4' energy: -102.949 flat angles C4'-P-C4' energy: -132.329 flat angles P-C4'-P energy: -60.593 tors. eta vs tors. theta energy: -141.802 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -2333.707798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.707798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.707798 (E_RNA) where: Base-Base interactions energy: -1612.302 where: short stacking energy: -713.751 Base-Backbone interact. energy: -4.281 local terms energy: -717.125534 where: bonds (distance) C4'-P energy: -133.274 bonds (distance) P-C4' energy: -123.457 flat angles C4'-P-C4' energy: -155.945 flat angles P-C4'-P energy: -102.865 tors. eta vs tors. theta energy: -201.585 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: 3 Temperature: 0.950000 Total energy: -2293.865901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.865901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.865901 (E_RNA) where: Base-Base interactions energy: -1573.863 where: short stacking energy: -688.944 Base-Backbone interact. energy: -3.926 local terms energy: -716.077265 where: bonds (distance) C4'-P energy: -128.775 bonds (distance) P-C4' energy: -131.072 flat angles C4'-P-C4' energy: -148.384 flat angles P-C4'-P energy: -108.069 tors. eta vs tors. theta energy: -199.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -2196.964532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.964532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.964532 (E_RNA) where: Base-Base interactions energy: -1493.621 where: short stacking energy: -657.113 Base-Backbone interact. energy: -1.095 local terms energy: -702.247901 where: bonds (distance) C4'-P energy: -121.488 bonds (distance) P-C4' energy: -134.575 flat angles C4'-P-C4' energy: -150.983 flat angles P-C4'-P energy: -99.045 tors. eta vs tors. theta energy: -196.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -2093.024933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.024933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.024933 (E_RNA) where: Base-Base interactions energy: -1461.804 where: short stacking energy: -628.776 Base-Backbone interact. energy: 0.884 local terms energy: -632.105213 where: bonds (distance) C4'-P energy: -118.168 bonds (distance) P-C4' energy: -130.878 flat angles C4'-P-C4' energy: -129.994 flat angles P-C4'-P energy: -93.948 tors. eta vs tors. theta energy: -159.117 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1997.105431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.105431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.105431 (E_RNA) where: Base-Base interactions energy: -1389.677 where: short stacking energy: -597.176 Base-Backbone interact. energy: -1.892 local terms energy: -605.536442 where: bonds (distance) C4'-P energy: -109.132 bonds (distance) P-C4' energy: -113.233 flat angles C4'-P-C4' energy: -137.072 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: -177.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1877.659517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.659517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.659517 (E_RNA) where: Base-Base interactions energy: -1327.497 where: short stacking energy: -550.707 Base-Backbone interact. energy: -4.877 local terms energy: -545.286128 where: bonds (distance) C4'-P energy: -77.203 bonds (distance) P-C4' energy: -105.892 flat angles C4'-P-C4' energy: -128.382 flat angles P-C4'-P energy: -83.295 tors. eta vs tors. theta energy: -150.514 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -1714.533298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.533298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.533298 (E_RNA) where: Base-Base interactions energy: -1167.378 where: short stacking energy: -506.674 Base-Backbone interact. energy: 5.242 local terms energy: -552.397194 where: bonds (distance) C4'-P energy: -96.653 bonds (distance) P-C4' energy: -115.555 flat angles C4'-P-C4' energy: -126.782 flat angles P-C4'-P energy: -67.076 tors. eta vs tors. theta energy: -146.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -1571.426874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.426874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.426874 (E_RNA) where: Base-Base interactions energy: -1059.527 where: short stacking energy: -476.215 Base-Backbone interact. energy: -3.751 local terms energy: -508.148977 where: bonds (distance) C4'-P energy: -109.662 bonds (distance) P-C4' energy: -107.517 flat angles C4'-P-C4' energy: -126.445 flat angles P-C4'-P energy: -44.740 tors. eta vs tors. theta energy: -119.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -1491.293186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.293186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.293186 (E_RNA) where: Base-Base interactions energy: -977.071 where: short stacking energy: -426.993 Base-Backbone interact. energy: -4.527 local terms energy: -509.695630 where: bonds (distance) C4'-P energy: -107.709 bonds (distance) P-C4' energy: -103.304 flat angles C4'-P-C4' energy: -111.670 flat angles P-C4'-P energy: -82.845 tors. eta vs tors. theta energy: -104.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -1251.469682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.469682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.469682 (E_RNA) where: Base-Base interactions energy: -823.500 where: short stacking energy: -343.293 Base-Backbone interact. energy: -2.694 local terms energy: -425.276416 where: bonds (distance) C4'-P energy: -96.525 bonds (distance) P-C4' energy: -106.817 flat angles C4'-P-C4' energy: -92.321 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -60.546 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: 4 Temperature: 0.900000 Total energy: -2345.093203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.093203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.093203 (E_RNA) where: Base-Base interactions energy: -1596.561 where: short stacking energy: -734.049 Base-Backbone interact. energy: -3.977 local terms energy: -744.555271 where: bonds (distance) C4'-P energy: -141.626 bonds (distance) P-C4' energy: -137.660 flat angles C4'-P-C4' energy: -149.998 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -209.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -2320.415260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.415260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.415260 (E_RNA) where: Base-Base interactions energy: -1591.567 where: short stacking energy: -691.625 Base-Backbone interact. energy: -7.484 local terms energy: -721.364264 where: bonds (distance) C4'-P energy: -134.594 bonds (distance) P-C4' energy: -127.155 flat angles C4'-P-C4' energy: -151.255 flat angles P-C4'-P energy: -102.454 tors. eta vs tors. theta energy: -205.907 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: 4 Temperature: 1.000000 Total energy: -2258.805544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.805544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.805544 (E_RNA) where: Base-Base interactions energy: -1538.812 where: short stacking energy: -698.205 Base-Backbone interact. energy: -1.073 local terms energy: -718.920908 where: bonds (distance) C4'-P energy: -129.522 bonds (distance) P-C4' energy: -120.262 flat angles C4'-P-C4' energy: -147.158 flat angles P-C4'-P energy: -117.337 tors. eta vs tors. theta energy: -204.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -2112.057344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.057344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.057344 (E_RNA) where: Base-Base interactions energy: -1459.278 where: short stacking energy: -626.048 Base-Backbone interact. energy: -0.723 local terms energy: -652.056136 where: bonds (distance) C4'-P energy: -118.821 bonds (distance) P-C4' energy: -107.967 flat angles C4'-P-C4' energy: -142.364 flat angles P-C4'-P energy: -99.911 tors. eta vs tors. theta energy: -182.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1968.082287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.082287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.082287 (E_RNA) where: Base-Base interactions energy: -1358.125 where: short stacking energy: -590.851 Base-Backbone interact. energy: 0.274 local terms energy: -610.231010 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -121.159 flat angles C4'-P-C4' energy: -136.349 flat angles P-C4'-P energy: -77.066 tors. eta vs tors. theta energy: -161.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -2011.351817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.351817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.351817 (E_RNA) where: Base-Base interactions energy: -1404.107 where: short stacking energy: -596.380 Base-Backbone interact. energy: 0.194 local terms energy: -607.438227 where: bonds (distance) C4'-P energy: -102.069 bonds (distance) P-C4' energy: -111.914 flat angles C4'-P-C4' energy: -133.440 flat angles P-C4'-P energy: -86.385 tors. eta vs tors. theta energy: -173.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -1715.487971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.487971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.487971 (E_RNA) where: Base-Base interactions energy: -1167.551 where: short stacking energy: -511.804 Base-Backbone interact. energy: -3.929 local terms energy: -544.007269 where: bonds (distance) C4'-P energy: -121.247 bonds (distance) P-C4' energy: -99.908 flat angles C4'-P-C4' energy: -136.369 flat angles P-C4'-P energy: -69.214 tors. eta vs tors. theta energy: -117.269 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -1588.319581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.319581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.319581 (E_RNA) where: Base-Base interactions energy: -1052.642 where: short stacking energy: -459.423 Base-Backbone interact. energy: -2.872 local terms energy: -532.806010 where: bonds (distance) C4'-P energy: -110.142 bonds (distance) P-C4' energy: -122.051 flat angles C4'-P-C4' energy: -126.104 flat angles P-C4'-P energy: -64.345 tors. eta vs tors. theta energy: -110.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -1491.998531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.998531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.998531 (E_RNA) where: Base-Base interactions energy: -954.736 where: short stacking energy: -429.170 Base-Backbone interact. energy: -1.201 local terms energy: -536.061625 where: bonds (distance) C4'-P energy: -106.147 bonds (distance) P-C4' energy: -119.707 flat angles C4'-P-C4' energy: -131.126 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -108.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1250.610353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.610353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.610353 (E_RNA) where: Base-Base interactions energy: -807.784 where: short stacking energy: -342.392 Base-Backbone interact. energy: -1.675 local terms energy: -441.152116 where: bonds (distance) C4'-P energy: -100.376 bonds (distance) P-C4' energy: -97.486 flat angles C4'-P-C4' energy: -120.709 flat angles P-C4'-P energy: -62.486 tors. eta vs tors. theta energy: -60.095 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -2367.876031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.876031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.876031 (E_RNA) where: Base-Base interactions energy: -1636.074 where: short stacking energy: -725.456 Base-Backbone interact. energy: -1.699 local terms energy: -730.103038 where: bonds (distance) C4'-P energy: -127.025 bonds (distance) P-C4' energy: -138.793 flat angles C4'-P-C4' energy: -155.555 flat angles P-C4'-P energy: -102.353 tors. eta vs tors. theta energy: -206.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -2320.964579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.964579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.964579 (E_RNA) where: Base-Base interactions energy: -1608.455 where: short stacking energy: -699.006 Base-Backbone interact. energy: -2.239 local terms energy: -710.271111 where: bonds (distance) C4'-P energy: -126.140 bonds (distance) P-C4' energy: -129.605 flat angles C4'-P-C4' energy: -149.147 flat angles P-C4'-P energy: -93.991 tors. eta vs tors. theta energy: -211.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -2244.688014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.688014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.688014 (E_RNA) where: Base-Base interactions energy: -1544.000 where: short stacking energy: -661.859 Base-Backbone interact. energy: -4.158 local terms energy: -696.530638 where: bonds (distance) C4'-P energy: -132.890 bonds (distance) P-C4' energy: -134.490 flat angles C4'-P-C4' energy: -143.736 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -191.547 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -2142.179967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.179967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.179967 (E_RNA) where: Base-Base interactions energy: -1496.403 where: short stacking energy: -645.202 Base-Backbone interact. energy: -4.461 local terms energy: -641.316427 where: bonds (distance) C4'-P energy: -87.828 bonds (distance) P-C4' energy: -133.582 flat angles C4'-P-C4' energy: -149.723 flat angles P-C4'-P energy: -80.513 tors. eta vs tors. theta energy: -189.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1931.660535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.660535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.660535 (E_RNA) where: Base-Base interactions energy: -1324.633 where: short stacking energy: -577.155 Base-Backbone interact. energy: -1.782 local terms energy: -605.245609 where: bonds (distance) C4'-P energy: -119.792 bonds (distance) P-C4' energy: -123.600 flat angles C4'-P-C4' energy: -138.823 flat angles P-C4'-P energy: -80.146 tors. eta vs tors. theta energy: -142.884 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: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -2011.294988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.294988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.294988 (E_RNA) where: Base-Base interactions energy: -1386.617 where: short stacking energy: -548.102 Base-Backbone interact. energy: 5.200 local terms energy: -629.878690 where: bonds (distance) C4'-P energy: -118.776 bonds (distance) P-C4' energy: -124.181 flat angles C4'-P-C4' energy: -141.559 flat angles P-C4'-P energy: -77.624 tors. eta vs tors. theta energy: -167.739 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1683.787940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.787940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.787940 (E_RNA) where: Base-Base interactions energy: -1145.763 where: short stacking energy: -489.106 Base-Backbone interact. energy: -2.247 local terms energy: -535.778427 where: bonds (distance) C4'-P energy: -106.474 bonds (distance) P-C4' energy: -121.269 flat angles C4'-P-C4' energy: -108.002 flat angles P-C4'-P energy: -68.781 tors. eta vs tors. theta energy: -131.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -1516.172783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.172783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.172783 (E_RNA) where: Base-Base interactions energy: -999.107 where: short stacking energy: -448.501 Base-Backbone interact. energy: 6.068 local terms energy: -523.133567 where: bonds (distance) C4'-P energy: -98.227 bonds (distance) P-C4' energy: -119.383 flat angles C4'-P-C4' energy: -126.847 flat angles P-C4'-P energy: -74.333 tors. eta vs tors. theta energy: -104.345 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: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -1478.416759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.416759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.416759 (E_RNA) where: Base-Base interactions energy: -969.968 where: short stacking energy: -403.131 Base-Backbone interact. energy: -4.300 local terms energy: -504.148680 where: bonds (distance) C4'-P energy: -110.072 bonds (distance) P-C4' energy: -114.617 flat angles C4'-P-C4' energy: -113.548 flat angles P-C4'-P energy: -73.192 tors. eta vs tors. theta energy: -92.718 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: 5 Temperature: 1.350000 Total energy: -1245.803461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.803461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.803461 (E_RNA) where: Base-Base interactions energy: -818.434 where: short stacking energy: -365.252 Base-Backbone interact. energy: -5.247 local terms energy: -422.122633 where: bonds (distance) C4'-P energy: -115.735 bonds (distance) P-C4' energy: -84.084 flat angles C4'-P-C4' energy: -103.499 flat angles P-C4'-P energy: -59.917 tors. eta vs tors. theta energy: -58.887 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -2377.232972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.232972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.232972 (E_RNA) where: Base-Base interactions energy: -1661.890 where: short stacking energy: -698.628 Base-Backbone interact. energy: -1.059 local terms energy: -714.284513 where: bonds (distance) C4'-P energy: -140.704 bonds (distance) P-C4' energy: -136.734 flat angles C4'-P-C4' energy: -130.970 flat angles P-C4'-P energy: -101.818 tors. eta vs tors. theta energy: -204.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -2311.040487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.040487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.040487 (E_RNA) where: Base-Base interactions energy: -1600.689 where: short stacking energy: -701.073 Base-Backbone interact. energy: 1.250 local terms energy: -711.601488 where: bonds (distance) C4'-P energy: -126.012 bonds (distance) P-C4' energy: -125.236 flat angles C4'-P-C4' energy: -146.748 flat angles P-C4'-P energy: -104.961 tors. eta vs tors. theta energy: -208.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -2324.943881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.943881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.943881 (E_RNA) where: Base-Base interactions energy: -1610.064 where: short stacking energy: -716.036 Base-Backbone interact. energy: 2.682 local terms energy: -717.561802 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -132.445 flat angles C4'-P-C4' energy: -144.965 flat angles P-C4'-P energy: -103.793 tors. eta vs tors. theta energy: -217.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -2139.338041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.338041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.338041 (E_RNA) where: Base-Base interactions energy: -1486.952 where: short stacking energy: -651.390 Base-Backbone interact. energy: -2.685 local terms energy: -649.700577 where: bonds (distance) C4'-P energy: -114.613 bonds (distance) P-C4' energy: -119.650 flat angles C4'-P-C4' energy: -128.032 flat angles P-C4'-P energy: -91.473 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -2134.205148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.205148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.205148 (E_RNA) where: Base-Base interactions energy: -1484.274 where: short stacking energy: -619.905 Base-Backbone interact. energy: -2.574 local terms energy: -647.356997 where: bonds (distance) C4'-P energy: -114.348 bonds (distance) P-C4' energy: -115.741 flat angles C4'-P-C4' energy: -136.711 flat angles P-C4'-P energy: -96.958 tors. eta vs tors. theta energy: -183.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1816.153283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.153283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.153283 (E_RNA) where: Base-Base interactions energy: -1228.823 where: short stacking energy: -547.363 Base-Backbone interact. energy: -2.279 local terms energy: -585.051452 where: bonds (distance) C4'-P energy: -120.177 bonds (distance) P-C4' energy: -120.873 flat angles C4'-P-C4' energy: -128.328 flat angles P-C4'-P energy: -72.420 tors. eta vs tors. theta energy: -143.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1665.413513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.413513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.413513 (E_RNA) where: Base-Base interactions energy: -1116.574 where: short stacking energy: -482.450 Base-Backbone interact. energy: -2.310 local terms energy: -546.528962 where: bonds (distance) C4'-P energy: -109.151 bonds (distance) P-C4' energy: -121.582 flat angles C4'-P-C4' energy: -116.378 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -125.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -1560.585826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.585826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.585826 (E_RNA) where: Base-Base interactions energy: -1029.643 where: short stacking energy: -447.187 Base-Backbone interact. energy: -4.371 local terms energy: -526.571408 where: bonds (distance) C4'-P energy: -98.567 bonds (distance) P-C4' energy: -114.848 flat angles C4'-P-C4' energy: -107.755 flat angles P-C4'-P energy: -86.370 tors. eta vs tors. theta energy: -119.031 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1504.082198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.082198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.082198 (E_RNA) where: Base-Base interactions energy: -1007.102 where: short stacking energy: -455.622 Base-Backbone interact. energy: 4.426 local terms energy: -501.406269 where: bonds (distance) C4'-P energy: -102.034 bonds (distance) P-C4' energy: -101.778 flat angles C4'-P-C4' energy: -115.260 flat angles P-C4'-P energy: -76.276 tors. eta vs tors. theta energy: -106.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1304.077853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.077853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.077853 (E_RNA) where: Base-Base interactions energy: -854.631 where: short stacking energy: -367.163 Base-Backbone interact. energy: 2.603 local terms energy: -452.050205 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -117.472 flat angles C4'-P-C4' energy: -123.857 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: -59.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -2383.834471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.834471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.834471 (E_RNA) where: Base-Base interactions energy: -1676.001 where: short stacking energy: -725.658 Base-Backbone interact. energy: -3.263 local terms energy: -704.569955 where: bonds (distance) C4'-P energy: -131.942 bonds (distance) P-C4' energy: -133.772 flat angles C4'-P-C4' energy: -136.517 flat angles P-C4'-P energy: -104.835 tors. eta vs tors. theta energy: -197.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -2376.433435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.433435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.433435 (E_RNA) where: Base-Base interactions energy: -1654.338 where: short stacking energy: -737.283 Base-Backbone interact. energy: -4.319 local terms energy: -717.776085 where: bonds (distance) C4'-P energy: -117.414 bonds (distance) P-C4' energy: -131.323 flat angles C4'-P-C4' energy: -147.629 flat angles P-C4'-P energy: -106.110 tors. eta vs tors. theta energy: -215.300 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -2248.753208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.753208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.753208 (E_RNA) where: Base-Base interactions energy: -1561.966 where: short stacking energy: -678.757 Base-Backbone interact. energy: -1.381 local terms energy: -685.406245 where: bonds (distance) C4'-P energy: -110.853 bonds (distance) P-C4' energy: -125.422 flat angles C4'-P-C4' energy: -151.105 flat angles P-C4'-P energy: -98.223 tors. eta vs tors. theta energy: -199.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -2155.161103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.161103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.161103 (E_RNA) where: Base-Base interactions energy: -1494.635 where: short stacking energy: -631.947 Base-Backbone interact. energy: -2.779 local terms energy: -657.746214 where: bonds (distance) C4'-P energy: -113.943 bonds (distance) P-C4' energy: -123.412 flat angles C4'-P-C4' energy: -136.237 flat angles P-C4'-P energy: -92.629 tors. eta vs tors. theta energy: -191.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -2087.223017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.223017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.223017 (E_RNA) where: Base-Base interactions energy: -1427.916 where: short stacking energy: -608.436 Base-Backbone interact. energy: -1.723 local terms energy: -657.584340 where: bonds (distance) C4'-P energy: -122.592 bonds (distance) P-C4' energy: -121.622 flat angles C4'-P-C4' energy: -134.527 flat angles P-C4'-P energy: -92.197 tors. eta vs tors. theta energy: -186.647 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1849.276849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.276849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.276849 (E_RNA) where: Base-Base interactions energy: -1246.961 where: short stacking energy: -522.345 Base-Backbone interact. energy: 1.510 local terms energy: -603.825716 where: bonds (distance) C4'-P energy: -126.357 bonds (distance) P-C4' energy: -123.866 flat angles C4'-P-C4' energy: -129.713 flat angles P-C4'-P energy: -83.860 tors. eta vs tors. theta energy: -140.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1743.090725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.090725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.090725 (E_RNA) where: Base-Base interactions energy: -1180.594 where: short stacking energy: -491.479 Base-Backbone interact. energy: -0.344 local terms energy: -562.153612 where: bonds (distance) C4'-P energy: -116.817 bonds (distance) P-C4' energy: -132.092 flat angles C4'-P-C4' energy: -127.158 flat angles P-C4'-P energy: -70.666 tors. eta vs tors. theta energy: -115.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1542.557570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.557570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.557570 (E_RNA) where: Base-Base interactions energy: -1006.258 where: short stacking energy: -457.998 Base-Backbone interact. energy: 0.991 local terms energy: -537.291132 where: bonds (distance) C4'-P energy: -104.526 bonds (distance) P-C4' energy: -131.097 flat angles C4'-P-C4' energy: -119.395 flat angles P-C4'-P energy: -68.245 tors. eta vs tors. theta energy: -114.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1497.483604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.483604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.483604 (E_RNA) where: Base-Base interactions energy: -997.462 where: short stacking energy: -458.106 Base-Backbone interact. energy: -1.563 local terms energy: -498.458509 where: bonds (distance) C4'-P energy: -81.590 bonds (distance) P-C4' energy: -109.611 flat angles C4'-P-C4' energy: -118.511 flat angles P-C4'-P energy: -66.230 tors. eta vs tors. theta energy: -122.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -1201.855667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.855667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.855667 (E_RNA) where: Base-Base interactions energy: -773.309 where: short stacking energy: -319.837 Base-Backbone interact. energy: -0.022 local terms energy: -428.525106 where: bonds (distance) C4'-P energy: -87.018 bonds (distance) P-C4' energy: -97.755 flat angles C4'-P-C4' energy: -113.835 flat angles P-C4'-P energy: -75.419 tors. eta vs tors. theta energy: -54.499 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: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -2410.742537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.742537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.742537 (E_RNA) where: Base-Base interactions energy: -1689.111 where: short stacking energy: -746.091 Base-Backbone interact. energy: -4.514 local terms energy: -717.117201 where: bonds (distance) C4'-P energy: -122.806 bonds (distance) P-C4' energy: -140.347 flat angles C4'-P-C4' energy: -151.970 flat angles P-C4'-P energy: -94.063 tors. eta vs tors. theta energy: -207.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -2360.157314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.157314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.157314 (E_RNA) where: Base-Base interactions energy: -1623.384 where: short stacking energy: -686.795 Base-Backbone interact. energy: -3.436 local terms energy: -733.337192 where: bonds (distance) C4'-P energy: -133.085 bonds (distance) P-C4' energy: -131.549 flat angles C4'-P-C4' energy: -153.442 flat angles P-C4'-P energy: -113.159 tors. eta vs tors. theta energy: -202.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -2258.288643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.288643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.288643 (E_RNA) where: Base-Base interactions energy: -1546.618 where: short stacking energy: -662.572 Base-Backbone interact. energy: -2.374 local terms energy: -709.296743 where: bonds (distance) C4'-P energy: -120.971 bonds (distance) P-C4' energy: -130.536 flat angles C4'-P-C4' energy: -152.163 flat angles P-C4'-P energy: -92.479 tors. eta vs tors. theta energy: -213.148 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: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -2133.430902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.430902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.430902 (E_RNA) where: Base-Base interactions energy: -1472.550 where: short stacking energy: -662.840 Base-Backbone interact. energy: 0.371 local terms energy: -661.251337 where: bonds (distance) C4'-P energy: -107.005 bonds (distance) P-C4' energy: -129.989 flat angles C4'-P-C4' energy: -145.419 flat angles P-C4'-P energy: -94.813 tors. eta vs tors. theta energy: -184.025 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -2028.587557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.587557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.587557 (E_RNA) where: Base-Base interactions energy: -1400.084 where: short stacking energy: -592.577 Base-Backbone interact. energy: -1.749 local terms energy: -626.754913 where: bonds (distance) C4'-P energy: -125.462 bonds (distance) P-C4' energy: -112.580 flat angles C4'-P-C4' energy: -132.079 flat angles P-C4'-P energy: -78.404 tors. eta vs tors. theta energy: -178.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1872.634029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.634029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.634029 (E_RNA) where: Base-Base interactions energy: -1292.809 where: short stacking energy: -551.441 Base-Backbone interact. energy: -2.417 local terms energy: -577.408560 where: bonds (distance) C4'-P energy: -104.735 bonds (distance) P-C4' energy: -112.480 flat angles C4'-P-C4' energy: -136.735 flat angles P-C4'-P energy: -75.872 tors. eta vs tors. theta energy: -147.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1661.496386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.496386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.496386 (E_RNA) where: Base-Base interactions energy: -1131.304 where: short stacking energy: -489.696 Base-Backbone interact. energy: -2.148 local terms energy: -528.044432 where: bonds (distance) C4'-P energy: -98.805 bonds (distance) P-C4' energy: -115.553 flat angles C4'-P-C4' energy: -115.161 flat angles P-C4'-P energy: -89.078 tors. eta vs tors. theta energy: -109.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1559.319603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.319603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.319603 (E_RNA) where: Base-Base interactions energy: -1031.043 where: short stacking energy: -454.030 Base-Backbone interact. energy: -1.182 local terms energy: -527.094661 where: bonds (distance) C4'-P energy: -113.881 bonds (distance) P-C4' energy: -125.657 flat angles C4'-P-C4' energy: -121.216 flat angles P-C4'-P energy: -67.354 tors. eta vs tors. theta energy: -98.986 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -1487.576855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.576855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.576855 (E_RNA) where: Base-Base interactions energy: -1009.354 where: short stacking energy: -447.537 Base-Backbone interact. energy: -1.216 local terms energy: -477.006561 where: bonds (distance) C4'-P energy: -85.131 bonds (distance) P-C4' energy: -103.844 flat angles C4'-P-C4' energy: -108.767 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -115.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1134.888172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.888172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.888172 (E_RNA) where: Base-Base interactions energy: -739.773 where: short stacking energy: -332.590 Base-Backbone interact. energy: 6.353 local terms energy: -401.468602 where: bonds (distance) C4'-P energy: -99.966 bonds (distance) P-C4' energy: -113.921 flat angles C4'-P-C4' energy: -98.435 flat angles P-C4'-P energy: -43.477 tors. eta vs tors. theta energy: -45.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -2417.791759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.791759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.791759 (E_RNA) where: Base-Base interactions energy: -1676.325 where: short stacking energy: -712.487 Base-Backbone interact. energy: -5.171 local terms energy: -736.296238 where: bonds (distance) C4'-P energy: -128.185 bonds (distance) P-C4' energy: -144.864 flat angles C4'-P-C4' energy: -149.004 flat angles P-C4'-P energy: -103.982 tors. eta vs tors. theta energy: -210.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -2365.068259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.068259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.068259 (E_RNA) where: Base-Base interactions energy: -1656.352 where: short stacking energy: -690.363 Base-Backbone interact. energy: -3.640 local terms energy: -705.076550 where: bonds (distance) C4'-P energy: -118.435 bonds (distance) P-C4' energy: -145.067 flat angles C4'-P-C4' energy: -143.825 flat angles P-C4'-P energy: -89.542 tors. eta vs tors. theta energy: -208.208 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: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -2288.269022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.269022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.269022 (E_RNA) where: Base-Base interactions energy: -1589.241 where: short stacking energy: -669.062 Base-Backbone interact. energy: 1.271 local terms energy: -700.299331 where: bonds (distance) C4'-P energy: -129.340 bonds (distance) P-C4' energy: -131.674 flat angles C4'-P-C4' energy: -139.033 flat angles P-C4'-P energy: -100.926 tors. eta vs tors. theta energy: -199.326 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: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -2087.745340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.745340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.745340 (E_RNA) where: Base-Base interactions energy: -1444.885 where: short stacking energy: -595.323 Base-Backbone interact. energy: -3.919 local terms energy: -638.941602 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -118.640 flat angles C4'-P-C4' energy: -129.798 flat angles P-C4'-P energy: -99.525 tors. eta vs tors. theta energy: -163.376 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -2041.914911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.914911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.914911 (E_RNA) where: Base-Base interactions energy: -1409.131 where: short stacking energy: -598.516 Base-Backbone interact. energy: -1.163 local terms energy: -631.620942 where: bonds (distance) C4'-P energy: -119.391 bonds (distance) P-C4' energy: -121.782 flat angles C4'-P-C4' energy: -128.736 flat angles P-C4'-P energy: -85.500 tors. eta vs tors. theta energy: -176.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1824.464281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.464281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.464281 (E_RNA) where: Base-Base interactions energy: -1259.850 where: short stacking energy: -538.014 Base-Backbone interact. energy: -4.653 local terms energy: -559.961476 where: bonds (distance) C4'-P energy: -92.252 bonds (distance) P-C4' energy: -112.305 flat angles C4'-P-C4' energy: -125.207 flat angles P-C4'-P energy: -89.706 tors. eta vs tors. theta energy: -140.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1656.329888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.329888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.329888 (E_RNA) where: Base-Base interactions energy: -1128.150 where: short stacking energy: -486.332 Base-Backbone interact. energy: -4.115 local terms energy: -524.064176 where: bonds (distance) C4'-P energy: -91.863 bonds (distance) P-C4' energy: -119.490 flat angles C4'-P-C4' energy: -113.408 flat angles P-C4'-P energy: -62.161 tors. eta vs tors. theta energy: -137.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1519.187023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.187023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.187023 (E_RNA) where: Base-Base interactions energy: -989.295 where: short stacking energy: -454.693 Base-Backbone interact. energy: -0.165 local terms energy: -529.726822 where: bonds (distance) C4'-P energy: -123.838 bonds (distance) P-C4' energy: -110.807 flat angles C4'-P-C4' energy: -107.497 flat angles P-C4'-P energy: -64.904 tors. eta vs tors. theta energy: -122.680 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: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -1397.090961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.090961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.090961 (E_RNA) where: Base-Base interactions energy: -932.503 where: short stacking energy: -419.376 Base-Backbone interact. energy: 1.738 local terms energy: -466.326086 where: bonds (distance) C4'-P energy: -104.316 bonds (distance) P-C4' energy: -100.219 flat angles C4'-P-C4' energy: -110.876 flat angles P-C4'-P energy: -63.581 tors. eta vs tors. theta energy: -87.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1100.686326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.686326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.686326 (E_RNA) where: Base-Base interactions energy: -689.432 where: short stacking energy: -350.928 Base-Backbone interact. energy: -1.010 local terms energy: -410.244123 where: bonds (distance) C4'-P energy: -121.118 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -93.872 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -56.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -2452.343057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.343057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.343057 (E_RNA) where: Base-Base interactions energy: -1699.340 where: short stacking energy: -726.964 Base-Backbone interact. energy: -5.795 local terms energy: -747.207526 where: bonds (distance) C4'-P energy: -136.737 bonds (distance) P-C4' energy: -141.040 flat angles C4'-P-C4' energy: -160.690 flat angles P-C4'-P energy: -103.485 tors. eta vs tors. theta energy: -205.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -2365.611829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.611829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.611829 (E_RNA) where: Base-Base interactions energy: -1664.681 where: short stacking energy: -712.427 Base-Backbone interact. energy: -1.471 local terms energy: -699.459038 where: bonds (distance) C4'-P energy: -124.834 bonds (distance) P-C4' energy: -120.884 flat angles C4'-P-C4' energy: -152.643 flat angles P-C4'-P energy: -92.178 tors. eta vs tors. theta energy: -208.919 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: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -2281.256446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.256446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.256446 (E_RNA) where: Base-Base interactions energy: -1577.838 where: short stacking energy: -668.122 Base-Backbone interact. energy: -1.853 local terms energy: -701.565216 where: bonds (distance) C4'-P energy: -132.605 bonds (distance) P-C4' energy: -133.921 flat angles C4'-P-C4' energy: -143.814 flat angles P-C4'-P energy: -91.141 tors. eta vs tors. theta energy: -200.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -2148.953924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.953924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.953924 (E_RNA) where: Base-Base interactions energy: -1473.289 where: short stacking energy: -630.733 Base-Backbone interact. energy: 1.198 local terms energy: -676.862907 where: bonds (distance) C4'-P energy: -116.513 bonds (distance) P-C4' energy: -138.298 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -86.956 tors. eta vs tors. theta energy: -195.917 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: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -2084.123931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.123931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.123931 (E_RNA) where: Base-Base interactions energy: -1423.653 where: short stacking energy: -601.424 Base-Backbone interact. energy: -1.458 local terms energy: -659.012438 where: bonds (distance) C4'-P energy: -103.952 bonds (distance) P-C4' energy: -122.990 flat angles C4'-P-C4' energy: -139.377 flat angles P-C4'-P energy: -113.799 tors. eta vs tors. theta energy: -178.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1869.548256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.548256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.548256 (E_RNA) where: Base-Base interactions energy: -1311.659 where: short stacking energy: -549.291 Base-Backbone interact. energy: -0.645 local terms energy: -557.243567 where: bonds (distance) C4'-P energy: -84.034 bonds (distance) P-C4' energy: -125.062 flat angles C4'-P-C4' energy: -134.384 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -146.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1614.265890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.265890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.265890 (E_RNA) where: Base-Base interactions energy: -1078.900 where: short stacking energy: -475.727 Base-Backbone interact. energy: -1.972 local terms energy: -533.393925 where: bonds (distance) C4'-P energy: -100.311 bonds (distance) P-C4' energy: -112.053 flat angles C4'-P-C4' energy: -113.595 flat angles P-C4'-P energy: -78.460 tors. eta vs tors. theta energy: -128.975 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: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1663.594597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.594597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.594597 (E_RNA) where: Base-Base interactions energy: -1140.936 where: short stacking energy: -458.902 Base-Backbone interact. energy: 2.216 local terms energy: -524.874053 where: bonds (distance) C4'-P energy: -93.961 bonds (distance) P-C4' energy: -127.195 flat angles C4'-P-C4' energy: -128.247 flat angles P-C4'-P energy: -63.720 tors. eta vs tors. theta energy: -111.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -1400.398170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.398170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.398170 (E_RNA) where: Base-Base interactions energy: -948.377 where: short stacking energy: -406.674 Base-Backbone interact. energy: -1.844 local terms energy: -450.177160 where: bonds (distance) C4'-P energy: -81.107 bonds (distance) P-C4' energy: -105.703 flat angles C4'-P-C4' energy: -119.250 flat angles P-C4'-P energy: -70.304 tors. eta vs tors. theta energy: -73.812 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: 10 Temperature: 1.350000 Total energy: -1229.886330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.886330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.886330 (E_RNA) where: Base-Base interactions energy: -791.725 where: short stacking energy: -370.967 Base-Backbone interact. energy: -2.129 local terms energy: -436.031657 where: bonds (distance) C4'-P energy: -113.954 bonds (distance) P-C4' energy: -93.728 flat angles C4'-P-C4' energy: -99.276 flat angles P-C4'-P energy: -51.218 tors. eta vs tors. theta energy: -77.856 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: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -2426.561853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.561853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.561853 (E_RNA) where: Base-Base interactions energy: -1703.651 where: short stacking energy: -713.460 Base-Backbone interact. energy: -0.937 local terms energy: -721.973515 where: bonds (distance) C4'-P energy: -129.474 bonds (distance) P-C4' energy: -139.100 flat angles C4'-P-C4' energy: -160.924 flat angles P-C4'-P energy: -98.062 tors. eta vs tors. theta energy: -194.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2367.078595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.078595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.078595 (E_RNA) where: Base-Base interactions energy: -1643.317 where: short stacking energy: -715.711 Base-Backbone interact. energy: -2.616 local terms energy: -721.145747 where: bonds (distance) C4'-P energy: -134.944 bonds (distance) P-C4' energy: -125.927 flat angles C4'-P-C4' energy: -137.649 flat angles P-C4'-P energy: -103.715 tors. eta vs tors. theta energy: -218.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -2293.385425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.385425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.385425 (E_RNA) where: Base-Base interactions energy: -1592.051 where: short stacking energy: -671.845 Base-Backbone interact. energy: -3.086 local terms energy: -698.247834 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -137.141 flat angles C4'-P-C4' energy: -138.553 flat angles P-C4'-P energy: -100.460 tors. eta vs tors. theta energy: -205.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -2145.777120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.777120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.777120 (E_RNA) where: Base-Base interactions energy: -1454.066 where: short stacking energy: -632.611 Base-Backbone interact. energy: -3.605 local terms energy: -688.106462 where: bonds (distance) C4'-P energy: -123.202 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -143.656 flat angles P-C4'-P energy: -103.135 tors. eta vs tors. theta energy: -180.898 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: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -2128.338715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.338715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.338715 (E_RNA) where: Base-Base interactions energy: -1466.490 where: short stacking energy: -653.619 Base-Backbone interact. energy: 2.633 local terms energy: -664.481848 where: bonds (distance) C4'-P energy: -120.026 bonds (distance) P-C4' energy: -120.308 flat angles C4'-P-C4' energy: -139.121 flat angles P-C4'-P energy: -98.193 tors. eta vs tors. theta energy: -186.833 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: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1866.466596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.466596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.466596 (E_RNA) where: Base-Base interactions energy: -1295.614 where: short stacking energy: -556.001 Base-Backbone interact. energy: -4.207 local terms energy: -566.646059 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -107.873 flat angles C4'-P-C4' energy: -114.766 flat angles P-C4'-P energy: -79.238 tors. eta vs tors. theta energy: -148.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1618.293470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.293470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.293470 (E_RNA) where: Base-Base interactions energy: -1076.112 where: short stacking energy: -461.849 Base-Backbone interact. energy: -3.739 local terms energy: -538.441905 where: bonds (distance) C4'-P energy: -113.324 bonds (distance) P-C4' energy: -108.290 flat angles C4'-P-C4' energy: -128.629 flat angles P-C4'-P energy: -76.198 tors. eta vs tors. theta energy: -112.000 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: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1618.811409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.811409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.811409 (E_RNA) where: Base-Base interactions energy: -1062.908 where: short stacking energy: -452.485 Base-Backbone interact. energy: -3.083 local terms energy: -552.819765 where: bonds (distance) C4'-P energy: -101.496 bonds (distance) P-C4' energy: -111.341 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -76.455 tors. eta vs tors. theta energy: -118.387 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: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1397.106648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.106648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.106648 (E_RNA) where: Base-Base interactions energy: -882.979 where: short stacking energy: -388.291 Base-Backbone interact. energy: -3.143 local terms energy: -510.984668 where: bonds (distance) C4'-P energy: -119.064 bonds (distance) P-C4' energy: -116.921 flat angles C4'-P-C4' energy: -121.978 flat angles P-C4'-P energy: -71.473 tors. eta vs tors. theta energy: -81.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1227.299142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.299142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.299142 (E_RNA) where: Base-Base interactions energy: -799.619 where: short stacking energy: -361.047 Base-Backbone interact. energy: 4.475 local terms energy: -432.155230 where: bonds (distance) C4'-P energy: -90.165 bonds (distance) P-C4' energy: -97.870 flat angles C4'-P-C4' energy: -105.037 flat angles P-C4'-P energy: -71.988 tors. eta vs tors. theta energy: -67.095 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: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2455.981760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.981760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.981760 (E_RNA) where: Base-Base interactions energy: -1737.665 where: short stacking energy: -724.329 Base-Backbone interact. energy: -3.247 local terms energy: -715.070266 where: bonds (distance) C4'-P energy: -121.237 bonds (distance) P-C4' energy: -138.948 flat angles C4'-P-C4' energy: -152.388 flat angles P-C4'-P energy: -97.386 tors. eta vs tors. theta energy: -205.111 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: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -2369.387025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.387025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.387025 (E_RNA) where: Base-Base interactions energy: -1663.247 where: short stacking energy: -694.329 Base-Backbone interact. energy: -5.848 local terms energy: -700.292035 where: bonds (distance) C4'-P energy: -122.159 bonds (distance) P-C4' energy: -123.123 flat angles C4'-P-C4' energy: -147.746 flat angles P-C4'-P energy: -102.335 tors. eta vs tors. theta energy: -204.930 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: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -2315.722756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.722756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.722756 (E_RNA) where: Base-Base interactions energy: -1610.970 where: short stacking energy: -654.739 Base-Backbone interact. energy: -2.061 local terms energy: -702.691920 where: bonds (distance) C4'-P energy: -123.215 bonds (distance) P-C4' energy: -134.009 flat angles C4'-P-C4' energy: -142.420 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -197.892 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: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -2147.657213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.657213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.657213 (E_RNA) where: Base-Base interactions energy: -1463.191 where: short stacking energy: -649.359 Base-Backbone interact. energy: -4.926 local terms energy: -679.540109 where: bonds (distance) C4'-P energy: -114.770 bonds (distance) P-C4' energy: -128.874 flat angles C4'-P-C4' energy: -134.054 flat angles P-C4'-P energy: -99.893 tors. eta vs tors. theta energy: -201.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -2026.614584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.614584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.614584 (E_RNA) where: Base-Base interactions energy: -1410.957 where: short stacking energy: -609.573 Base-Backbone interact. energy: -2.412 local terms energy: -613.245614 where: bonds (distance) C4'-P energy: -114.663 bonds (distance) P-C4' energy: -103.012 flat angles C4'-P-C4' energy: -135.143 flat angles P-C4'-P energy: -84.917 tors. eta vs tors. theta energy: -175.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1883.322067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.322067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.322067 (E_RNA) where: Base-Base interactions energy: -1321.537 where: short stacking energy: -567.207 Base-Backbone interact. energy: 0.820 local terms energy: -562.604415 where: bonds (distance) C4'-P energy: -88.370 bonds (distance) P-C4' energy: -124.295 flat angles C4'-P-C4' energy: -123.095 flat angles P-C4'-P energy: -79.373 tors. eta vs tors. theta energy: -147.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1663.112544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.112544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.112544 (E_RNA) where: Base-Base interactions energy: -1111.540 where: short stacking energy: -517.841 Base-Backbone interact. energy: 0.143 local terms energy: -551.715841 where: bonds (distance) C4'-P energy: -117.588 bonds (distance) P-C4' energy: -113.139 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -71.786 tors. eta vs tors. theta energy: -129.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1575.650708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.650708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.650708 (E_RNA) where: Base-Base interactions energy: -1035.083 where: short stacking energy: -474.146 Base-Backbone interact. energy: 5.290 local terms energy: -545.857948 where: bonds (distance) C4'-P energy: -118.628 bonds (distance) P-C4' energy: -114.546 flat angles C4'-P-C4' energy: -117.863 flat angles P-C4'-P energy: -72.691 tors. eta vs tors. theta energy: -122.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1323.813331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.813331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.813331 (E_RNA) where: Base-Base interactions energy: -873.972 where: short stacking energy: -375.226 Base-Backbone interact. energy: 0.462 local terms energy: -450.303232 where: bonds (distance) C4'-P energy: -104.660 bonds (distance) P-C4' energy: -111.132 flat angles C4'-P-C4' energy: -89.933 flat angles P-C4'-P energy: -56.385 tors. eta vs tors. theta energy: -88.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1247.778530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.778530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.778530 (E_RNA) where: Base-Base interactions energy: -778.883 where: short stacking energy: -334.080 Base-Backbone interact. energy: -2.072 local terms energy: -466.823056 where: bonds (distance) C4'-P energy: -131.965 bonds (distance) P-C4' energy: -109.653 flat angles C4'-P-C4' energy: -102.102 flat angles P-C4'-P energy: -61.368 tors. eta vs tors. theta energy: -61.734 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: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2441.793602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.793602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.793602 (E_RNA) where: Base-Base interactions energy: -1707.174 where: short stacking energy: -727.632 Base-Backbone interact. energy: -3.717 local terms energy: -730.903190 where: bonds (distance) C4'-P energy: -127.444 bonds (distance) P-C4' energy: -127.447 flat angles C4'-P-C4' energy: -159.218 flat angles P-C4'-P energy: -109.378 tors. eta vs tors. theta energy: -207.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2374.571895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.571895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.571895 (E_RNA) where: Base-Base interactions energy: -1631.545 where: short stacking energy: -707.716 Base-Backbone interact. energy: -1.069 local terms energy: -741.957735 where: bonds (distance) C4'-P energy: -134.332 bonds (distance) P-C4' energy: -133.182 flat angles C4'-P-C4' energy: -161.927 flat angles P-C4'-P energy: -100.699 tors. eta vs tors. theta energy: -211.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -2294.910873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.910873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.910873 (E_RNA) where: Base-Base interactions energy: -1617.443 where: short stacking energy: -682.865 Base-Backbone interact. energy: 1.332 local terms energy: -678.800786 where: bonds (distance) C4'-P energy: -132.851 bonds (distance) P-C4' energy: -107.758 flat angles C4'-P-C4' energy: -141.874 flat angles P-C4'-P energy: -92.673 tors. eta vs tors. theta energy: -203.644 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: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -2122.736314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.736314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.736314 (E_RNA) where: Base-Base interactions energy: -1480.596 where: short stacking energy: -623.533 Base-Backbone interact. energy: -0.339 local terms energy: -641.801450 where: bonds (distance) C4'-P energy: -111.027 bonds (distance) P-C4' energy: -117.861 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -94.491 tors. eta vs tors. theta energy: -181.280 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: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -2038.714875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.714875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.714875 (E_RNA) where: Base-Base interactions energy: -1405.617 where: short stacking energy: -605.791 Base-Backbone interact. energy: 1.879 local terms energy: -634.976769 where: bonds (distance) C4'-P energy: -116.386 bonds (distance) P-C4' energy: -120.670 flat angles C4'-P-C4' energy: -133.288 flat angles P-C4'-P energy: -93.477 tors. eta vs tors. theta energy: -171.155 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: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1891.789391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.789391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.789391 (E_RNA) where: Base-Base interactions energy: -1298.195 where: short stacking energy: -585.595 Base-Backbone interact. energy: -1.997 local terms energy: -591.597384 where: bonds (distance) C4'-P energy: -100.048 bonds (distance) P-C4' energy: -128.810 flat angles C4'-P-C4' energy: -122.574 flat angles P-C4'-P energy: -90.473 tors. eta vs tors. theta energy: -149.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1644.276910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.276910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.276910 (E_RNA) where: Base-Base interactions energy: -1108.778 where: short stacking energy: -488.875 Base-Backbone interact. energy: -1.318 local terms energy: -534.180491 where: bonds (distance) C4'-P energy: -95.917 bonds (distance) P-C4' energy: -117.231 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -79.745 tors. eta vs tors. theta energy: -115.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1531.909488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.909488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.909488 (E_RNA) where: Base-Base interactions energy: -1028.608 where: short stacking energy: -456.551 Base-Backbone interact. energy: -3.954 local terms energy: -499.347127 where: bonds (distance) C4'-P energy: -97.481 bonds (distance) P-C4' energy: -110.068 flat angles C4'-P-C4' energy: -112.904 flat angles P-C4'-P energy: -68.031 tors. eta vs tors. theta energy: -110.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1391.746708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.746708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.746708 (E_RNA) where: Base-Base interactions energy: -916.905 where: short stacking energy: -421.314 Base-Backbone interact. energy: -0.371 local terms energy: -474.471098 where: bonds (distance) C4'-P energy: -112.352 bonds (distance) P-C4' energy: -103.503 flat angles C4'-P-C4' energy: -104.889 flat angles P-C4'-P energy: -59.541 tors. eta vs tors. theta energy: -94.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1126.289387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.289387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.289387 (E_RNA) where: Base-Base interactions energy: -666.993 where: short stacking energy: -289.710 Base-Backbone interact. energy: 2.339 local terms energy: -461.635587 where: bonds (distance) C4'-P energy: -104.447 bonds (distance) P-C4' energy: -109.878 flat angles C4'-P-C4' energy: -119.094 flat angles P-C4'-P energy: -67.516 tors. eta vs tors. theta energy: -60.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2436.431617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.431617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.431617 (E_RNA) where: Base-Base interactions energy: -1711.601 where: short stacking energy: -732.569 Base-Backbone interact. energy: -4.905 local terms energy: -719.925647 where: bonds (distance) C4'-P energy: -128.790 bonds (distance) P-C4' energy: -133.089 flat angles C4'-P-C4' energy: -153.812 flat angles P-C4'-P energy: -101.077 tors. eta vs tors. theta energy: -203.158 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: 14 Temperature: 0.950000 Total energy: -2349.168101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.168101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.168101 (E_RNA) where: Base-Base interactions energy: -1625.124 where: short stacking energy: -687.391 Base-Backbone interact. energy: -1.735 local terms energy: -722.309418 where: bonds (distance) C4'-P energy: -134.811 bonds (distance) P-C4' energy: -124.627 flat angles C4'-P-C4' energy: -156.825 flat angles P-C4'-P energy: -97.693 tors. eta vs tors. theta energy: -208.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2282.688856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.688856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.688856 (E_RNA) where: Base-Base interactions energy: -1576.373 where: short stacking energy: -673.229 Base-Backbone interact. energy: -1.165 local terms energy: -705.150162 where: bonds (distance) C4'-P energy: -113.734 bonds (distance) P-C4' energy: -134.571 flat angles C4'-P-C4' energy: -152.234 flat angles P-C4'-P energy: -106.385 tors. eta vs tors. theta energy: -198.227 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: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -2132.796407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.796407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.796407 (E_RNA) where: Base-Base interactions energy: -1486.354 where: short stacking energy: -635.390 Base-Backbone interact. energy: -1.653 local terms energy: -644.789584 where: bonds (distance) C4'-P energy: -122.966 bonds (distance) P-C4' energy: -109.315 flat angles C4'-P-C4' energy: -129.421 flat angles P-C4'-P energy: -95.692 tors. eta vs tors. theta energy: -187.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -2043.708406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.708406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.708406 (E_RNA) where: Base-Base interactions energy: -1430.860 where: short stacking energy: -600.141 Base-Backbone interact. energy: 2.055 local terms energy: -614.903541 where: bonds (distance) C4'-P energy: -121.318 bonds (distance) P-C4' energy: -113.337 flat angles C4'-P-C4' energy: -121.328 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -166.736 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: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1908.469492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.469492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.469492 (E_RNA) where: Base-Base interactions energy: -1328.284 where: short stacking energy: -590.085 Base-Backbone interact. energy: -0.502 local terms energy: -579.683353 where: bonds (distance) C4'-P energy: -110.651 bonds (distance) P-C4' energy: -108.689 flat angles C4'-P-C4' energy: -122.141 flat angles P-C4'-P energy: -82.166 tors. eta vs tors. theta energy: -156.036 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: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1688.550479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.550479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.550479 (E_RNA) where: Base-Base interactions energy: -1155.322 where: short stacking energy: -486.156 Base-Backbone interact. energy: -0.959 local terms energy: -532.269290 where: bonds (distance) C4'-P energy: -100.664 bonds (distance) P-C4' energy: -119.620 flat angles C4'-P-C4' energy: -126.804 flat angles P-C4'-P energy: -74.006 tors. eta vs tors. theta energy: -111.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1562.874422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.874422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.874422 (E_RNA) where: Base-Base interactions energy: -1021.900 where: short stacking energy: -463.888 Base-Backbone interact. energy: -3.180 local terms energy: -537.793914 where: bonds (distance) C4'-P energy: -113.305 bonds (distance) P-C4' energy: -118.719 flat angles C4'-P-C4' energy: -115.876 flat angles P-C4'-P energy: -81.043 tors. eta vs tors. theta energy: -108.850 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: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1336.849630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.849630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.849630 (E_RNA) where: Base-Base interactions energy: -870.664 where: short stacking energy: -386.750 Base-Backbone interact. energy: -2.282 local terms energy: -463.903955 where: bonds (distance) C4'-P energy: -89.530 bonds (distance) P-C4' energy: -109.978 flat angles C4'-P-C4' energy: -114.128 flat angles P-C4'-P energy: -78.677 tors. eta vs tors. theta energy: -71.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1141.634418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.634418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.634418 (E_RNA) where: Base-Base interactions energy: -712.723 where: short stacking energy: -337.985 Base-Backbone interact. energy: -0.348 local terms energy: -428.562980 where: bonds (distance) C4'-P energy: -98.714 bonds (distance) P-C4' energy: -112.622 flat angles C4'-P-C4' energy: -107.052 flat angles P-C4'-P energy: -62.103 tors. eta vs tors. theta energy: -48.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2419.912847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.912847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.912847 (E_RNA) where: Base-Base interactions energy: -1677.576 where: short stacking energy: -720.589 Base-Backbone interact. energy: 2.327 local terms energy: -744.663584 where: bonds (distance) C4'-P energy: -147.870 bonds (distance) P-C4' energy: -125.046 flat angles C4'-P-C4' energy: -157.256 flat angles P-C4'-P energy: -99.131 tors. eta vs tors. theta energy: -215.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2370.697402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.697402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.697402 (E_RNA) where: Base-Base interactions energy: -1639.291 where: short stacking energy: -699.719 Base-Backbone interact. energy: -6.225 local terms energy: -725.181319 where: bonds (distance) C4'-P energy: -128.503 bonds (distance) P-C4' energy: -124.445 flat angles C4'-P-C4' energy: -149.536 flat angles P-C4'-P energy: -109.596 tors. eta vs tors. theta energy: -213.100 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: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2296.038090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.038090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.038090 (E_RNA) where: Base-Base interactions energy: -1610.387 where: short stacking energy: -676.621 Base-Backbone interact. energy: -0.158 local terms energy: -685.493630 where: bonds (distance) C4'-P energy: -127.638 bonds (distance) P-C4' energy: -123.826 flat angles C4'-P-C4' energy: -144.604 flat angles P-C4'-P energy: -87.302 tors. eta vs tors. theta energy: -202.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -2115.127998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.127998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.127998 (E_RNA) where: Base-Base interactions energy: -1468.122 where: short stacking energy: -629.637 Base-Backbone interact. energy: -4.747 local terms energy: -642.259599 where: bonds (distance) C4'-P energy: -112.877 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -139.472 flat angles P-C4'-P energy: -97.011 tors. eta vs tors. theta energy: -183.069 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: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -2032.146182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.146182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.146182 (E_RNA) where: Base-Base interactions energy: -1401.249 where: short stacking energy: -574.566 Base-Backbone interact. energy: -2.554 local terms energy: -628.342782 where: bonds (distance) C4'-P energy: -111.123 bonds (distance) P-C4' energy: -118.366 flat angles C4'-P-C4' energy: -142.719 flat angles P-C4'-P energy: -91.250 tors. eta vs tors. theta energy: -164.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1878.848352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.848352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.848352 (E_RNA) where: Base-Base interactions energy: -1298.955 where: short stacking energy: -555.803 Base-Backbone interact. energy: -2.418 local terms energy: -577.475401 where: bonds (distance) C4'-P energy: -106.009 bonds (distance) P-C4' energy: -115.124 flat angles C4'-P-C4' energy: -141.766 flat angles P-C4'-P energy: -64.718 tors. eta vs tors. theta energy: -149.858 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: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1703.563876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.563876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.563876 (E_RNA) where: Base-Base interactions energy: -1159.199 where: short stacking energy: -480.882 Base-Backbone interact. energy: -1.724 local terms energy: -542.641660 where: bonds (distance) C4'-P energy: -106.476 bonds (distance) P-C4' energy: -125.633 flat angles C4'-P-C4' energy: -114.974 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -118.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1559.415845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.415845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.415845 (E_RNA) where: Base-Base interactions energy: -1013.888 where: short stacking energy: -448.210 Base-Backbone interact. energy: -1.821 local terms energy: -543.706279 where: bonds (distance) C4'-P energy: -126.472 bonds (distance) P-C4' energy: -108.991 flat angles C4'-P-C4' energy: -125.069 flat angles P-C4'-P energy: -78.310 tors. eta vs tors. theta energy: -104.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1318.501531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.501531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.501531 (E_RNA) where: Base-Base interactions energy: -854.534 where: short stacking energy: -373.414 Base-Backbone interact. energy: 0.046 local terms energy: -464.013217 where: bonds (distance) C4'-P energy: -102.728 bonds (distance) P-C4' energy: -101.842 flat angles C4'-P-C4' energy: -119.847 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -85.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1132.106125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.106125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.106125 (E_RNA) where: Base-Base interactions energy: -699.407 where: short stacking energy: -288.781 Base-Backbone interact. energy: -4.476 local terms energy: -428.222997 where: bonds (distance) C4'-P energy: -104.049 bonds (distance) P-C4' energy: -110.930 flat angles C4'-P-C4' energy: -109.557 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -39.126 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: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2428.752736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.752736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.752736 (E_RNA) where: Base-Base interactions energy: -1695.270 where: short stacking energy: -713.568 Base-Backbone interact. energy: -3.936 local terms energy: -729.547115 where: bonds (distance) C4'-P energy: -133.822 bonds (distance) P-C4' energy: -136.332 flat angles C4'-P-C4' energy: -147.987 flat angles P-C4'-P energy: -97.755 tors. eta vs tors. theta energy: -213.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2392.567840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.567840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.567840 (E_RNA) where: Base-Base interactions energy: -1658.907 where: short stacking energy: -704.965 Base-Backbone interact. energy: -2.363 local terms energy: -731.297706 where: bonds (distance) C4'-P energy: -128.739 bonds (distance) P-C4' energy: -137.024 flat angles C4'-P-C4' energy: -154.704 flat angles P-C4'-P energy: -103.164 tors. eta vs tors. theta energy: -207.666 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: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2302.271978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.271978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.271978 (E_RNA) where: Base-Base interactions energy: -1594.956 where: short stacking energy: -679.019 Base-Backbone interact. energy: -0.776 local terms energy: -706.540353 where: bonds (distance) C4'-P energy: -129.007 bonds (distance) P-C4' energy: -119.181 flat angles C4'-P-C4' energy: -155.954 flat angles P-C4'-P energy: -105.890 tors. eta vs tors. theta energy: -196.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -2169.463515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.463515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.463515 (E_RNA) where: Base-Base interactions energy: -1528.540 where: short stacking energy: -646.477 Base-Backbone interact. energy: 0.753 local terms energy: -641.676645 where: bonds (distance) C4'-P energy: -116.280 bonds (distance) P-C4' energy: -108.425 flat angles C4'-P-C4' energy: -144.684 flat angles P-C4'-P energy: -92.462 tors. eta vs tors. theta energy: -179.825 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: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -2013.926221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.926221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.926221 (E_RNA) where: Base-Base interactions energy: -1415.608 where: short stacking energy: -595.815 Base-Backbone interact. energy: -2.469 local terms energy: -595.848814 where: bonds (distance) C4'-P energy: -97.916 bonds (distance) P-C4' energy: -95.540 flat angles C4'-P-C4' energy: -127.529 flat angles P-C4'-P energy: -82.206 tors. eta vs tors. theta energy: -192.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1906.894499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.894499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.894499 (E_RNA) where: Base-Base interactions energy: -1296.458 where: short stacking energy: -563.219 Base-Backbone interact. energy: -0.432 local terms energy: -610.004911 where: bonds (distance) C4'-P energy: -117.210 bonds (distance) P-C4' energy: -138.629 flat angles C4'-P-C4' energy: -123.723 flat angles P-C4'-P energy: -79.270 tors. eta vs tors. theta energy: -151.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1710.531238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.531238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.531238 (E_RNA) where: Base-Base interactions energy: -1157.959 where: short stacking energy: -509.064 Base-Backbone interact. energy: -3.622 local terms energy: -548.950061 where: bonds (distance) C4'-P energy: -104.643 bonds (distance) P-C4' energy: -113.283 flat angles C4'-P-C4' energy: -127.989 flat angles P-C4'-P energy: -74.695 tors. eta vs tors. theta energy: -128.340 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1611.548836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.548836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.548836 (E_RNA) where: Base-Base interactions energy: -1078.347 where: short stacking energy: -450.887 Base-Backbone interact. energy: -4.211 local terms energy: -528.990410 where: bonds (distance) C4'-P energy: -124.845 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -91.745 flat angles P-C4'-P energy: -83.233 tors. eta vs tors. theta energy: -115.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1389.220814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.220814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.220814 (E_RNA) where: Base-Base interactions energy: -906.227 where: short stacking energy: -398.794 Base-Backbone interact. energy: -0.350 local terms energy: -482.643859 where: bonds (distance) C4'-P energy: -111.176 bonds (distance) P-C4' energy: -90.738 flat angles C4'-P-C4' energy: -111.754 flat angles P-C4'-P energy: -76.101 tors. eta vs tors. theta energy: -92.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1233.627025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.627025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.627025 (E_RNA) where: Base-Base interactions energy: -786.403 where: short stacking energy: -337.325 Base-Backbone interact. energy: 3.055 local terms energy: -450.278201 where: bonds (distance) C4'-P energy: -97.083 bonds (distance) P-C4' energy: -120.815 flat angles C4'-P-C4' energy: -104.350 flat angles P-C4'-P energy: -66.214 tors. eta vs tors. theta energy: -61.816 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: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2423.209944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.209944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.209944 (E_RNA) where: Base-Base interactions energy: -1702.169 where: short stacking energy: -716.911 Base-Backbone interact. energy: -1.496 local terms energy: -719.545042 where: bonds (distance) C4'-P energy: -119.272 bonds (distance) P-C4' energy: -117.558 flat angles C4'-P-C4' energy: -163.232 flat angles P-C4'-P energy: -109.161 tors. eta vs tors. theta energy: -210.322 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: 17 Temperature: 0.950000 Total energy: -2381.104400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.104400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.104400 (E_RNA) where: Base-Base interactions energy: -1629.619 where: short stacking energy: -684.336 Base-Backbone interact. energy: -3.721 local terms energy: -747.763885 where: bonds (distance) C4'-P energy: -129.641 bonds (distance) P-C4' energy: -148.606 flat angles C4'-P-C4' energy: -155.877 flat angles P-C4'-P energy: -104.147 tors. eta vs tors. theta energy: -209.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -2281.424197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.424197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.424197 (E_RNA) where: Base-Base interactions energy: -1593.815 where: short stacking energy: -666.040 Base-Backbone interact. energy: -3.231 local terms energy: -684.378659 where: bonds (distance) C4'-P energy: -112.957 bonds (distance) P-C4' energy: -123.355 flat angles C4'-P-C4' energy: -146.866 flat angles P-C4'-P energy: -97.999 tors. eta vs tors. theta energy: -203.202 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: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2147.939617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.939617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.939617 (E_RNA) where: Base-Base interactions energy: -1476.207 where: short stacking energy: -638.255 Base-Backbone interact. energy: -5.185 local terms energy: -666.547860 where: bonds (distance) C4'-P energy: -129.567 bonds (distance) P-C4' energy: -117.011 flat angles C4'-P-C4' energy: -138.189 flat angles P-C4'-P energy: -98.092 tors. eta vs tors. theta energy: -183.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -2028.394693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.394693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.394693 (E_RNA) where: Base-Base interactions energy: -1391.985 where: short stacking energy: -584.348 Base-Backbone interact. energy: -3.767 local terms energy: -632.643089 where: bonds (distance) C4'-P energy: -117.896 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -133.771 flat angles P-C4'-P energy: -84.108 tors. eta vs tors. theta energy: -172.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1963.486967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.486967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.486967 (E_RNA) where: Base-Base interactions energy: -1343.475 where: short stacking energy: -572.433 Base-Backbone interact. energy: -4.157 local terms energy: -615.855126 where: bonds (distance) C4'-P energy: -108.992 bonds (distance) P-C4' energy: -109.982 flat angles C4'-P-C4' energy: -133.422 flat angles P-C4'-P energy: -100.738 tors. eta vs tors. theta energy: -162.721 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: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1660.435275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.435275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.435275 (E_RNA) where: Base-Base interactions energy: -1125.315 where: short stacking energy: -476.361 Base-Backbone interact. energy: 0.034 local terms energy: -535.154257 where: bonds (distance) C4'-P energy: -119.174 bonds (distance) P-C4' energy: -116.196 flat angles C4'-P-C4' energy: -102.572 flat angles P-C4'-P energy: -82.471 tors. eta vs tors. theta energy: -114.741 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: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1533.558932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.558932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.558932 (E_RNA) where: Base-Base interactions energy: -993.996 where: short stacking energy: -448.787 Base-Backbone interact. energy: 0.975 local terms energy: -540.538107 where: bonds (distance) C4'-P energy: -108.386 bonds (distance) P-C4' energy: -111.834 flat angles C4'-P-C4' energy: -128.009 flat angles P-C4'-P energy: -87.397 tors. eta vs tors. theta energy: -104.912 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: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1379.985503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.985503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.985503 (E_RNA) where: Base-Base interactions energy: -896.925 where: short stacking energy: -390.024 Base-Backbone interact. energy: -0.099 local terms energy: -482.961090 where: bonds (distance) C4'-P energy: -113.985 bonds (distance) P-C4' energy: -98.426 flat angles C4'-P-C4' energy: -119.244 flat angles P-C4'-P energy: -70.821 tors. eta vs tors. theta energy: -80.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1170.678731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.678731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.678731 (E_RNA) where: Base-Base interactions energy: -761.089 where: short stacking energy: -323.908 Base-Backbone interact. energy: 2.641 local terms energy: -412.230867 where: bonds (distance) C4'-P energy: -101.621 bonds (distance) P-C4' energy: -118.025 flat angles C4'-P-C4' energy: -101.966 flat angles P-C4'-P energy: -49.401 tors. eta vs tors. theta energy: -41.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2462.797247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.797247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.797247 (E_RNA) where: Base-Base interactions energy: -1744.046 where: short stacking energy: -737.518 Base-Backbone interact. energy: -1.590 local terms energy: -717.160869 where: bonds (distance) C4'-P energy: -114.261 bonds (distance) P-C4' energy: -119.734 flat angles C4'-P-C4' energy: -160.510 flat angles P-C4'-P energy: -106.458 tors. eta vs tors. theta energy: -216.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2390.157188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.157188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.157188 (E_RNA) where: Base-Base interactions energy: -1668.496 where: short stacking energy: -717.830 Base-Backbone interact. energy: -1.675 local terms energy: -719.985408 where: bonds (distance) C4'-P energy: -127.105 bonds (distance) P-C4' energy: -129.039 flat angles C4'-P-C4' energy: -148.845 flat angles P-C4'-P energy: -102.146 tors. eta vs tors. theta energy: -212.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2256.537461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.537461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.537461 (E_RNA) where: Base-Base interactions energy: -1551.914 where: short stacking energy: -666.558 Base-Backbone interact. energy: -0.870 local terms energy: -703.753761 where: bonds (distance) C4'-P energy: -115.339 bonds (distance) P-C4' energy: -133.705 flat angles C4'-P-C4' energy: -139.956 flat angles P-C4'-P energy: -99.924 tors. eta vs tors. theta energy: -214.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -2169.981662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.981662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.981662 (E_RNA) where: Base-Base interactions energy: -1478.866 where: short stacking energy: -673.003 Base-Backbone interact. energy: -2.273 local terms energy: -688.842755 where: bonds (distance) C4'-P energy: -129.202 bonds (distance) P-C4' energy: -134.437 flat angles C4'-P-C4' energy: -142.221 flat angles P-C4'-P energy: -89.146 tors. eta vs tors. theta energy: -193.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -2050.615464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.615464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.615464 (E_RNA) where: Base-Base interactions energy: -1394.663 where: short stacking energy: -585.779 Base-Backbone interact. energy: -0.463 local terms energy: -655.489423 where: bonds (distance) C4'-P energy: -127.470 bonds (distance) P-C4' energy: -126.012 flat angles C4'-P-C4' energy: -133.260 flat angles P-C4'-P energy: -108.945 tors. eta vs tors. theta energy: -159.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1975.444402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.444402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.444402 (E_RNA) where: Base-Base interactions energy: -1347.340 where: short stacking energy: -583.901 Base-Backbone interact. energy: -3.550 local terms energy: -624.553764 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -119.148 flat angles C4'-P-C4' energy: -130.405 flat angles P-C4'-P energy: -92.128 tors. eta vs tors. theta energy: -154.500 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: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1601.487741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.487741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.487741 (E_RNA) where: Base-Base interactions energy: -1075.164 where: short stacking energy: -458.025 Base-Backbone interact. energy: 7.865 local terms energy: -534.188471 where: bonds (distance) C4'-P energy: -117.243 bonds (distance) P-C4' energy: -111.995 flat angles C4'-P-C4' energy: -135.903 flat angles P-C4'-P energy: -68.940 tors. eta vs tors. theta energy: -100.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1578.118129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.118129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.118129 (E_RNA) where: Base-Base interactions energy: -1083.102 where: short stacking energy: -450.842 Base-Backbone interact. energy: 4.879 local terms energy: -499.894794 where: bonds (distance) C4'-P energy: -89.599 bonds (distance) P-C4' energy: -122.351 flat angles C4'-P-C4' energy: -120.865 flat angles P-C4'-P energy: -73.331 tors. eta vs tors. theta energy: -93.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1392.881778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.881778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.881778 (E_RNA) where: Base-Base interactions energy: -920.340 where: short stacking energy: -438.159 Base-Backbone interact. energy: 3.417 local terms energy: -475.959205 where: bonds (distance) C4'-P energy: -86.901 bonds (distance) P-C4' energy: -105.345 flat angles C4'-P-C4' energy: -118.741 flat angles P-C4'-P energy: -74.048 tors. eta vs tors. theta energy: -90.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1167.777691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.777691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.777691 (E_RNA) where: Base-Base interactions energy: -724.324 where: short stacking energy: -313.026 Base-Backbone interact. energy: -1.060 local terms energy: -442.392923 where: bonds (distance) C4'-P energy: -102.364 bonds (distance) P-C4' energy: -127.106 flat angles C4'-P-C4' energy: -109.330 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: -37.290 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: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2465.996088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.996088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.996088 (E_RNA) where: Base-Base interactions energy: -1745.295 where: short stacking energy: -744.334 Base-Backbone interact. energy: -4.404 local terms energy: -716.297273 where: bonds (distance) C4'-P energy: -133.141 bonds (distance) P-C4' energy: -133.164 flat angles C4'-P-C4' energy: -142.886 flat angles P-C4'-P energy: -100.953 tors. eta vs tors. theta energy: -206.153 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: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2379.418012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.418012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.418012 (E_RNA) where: Base-Base interactions energy: -1639.988 where: short stacking energy: -711.228 Base-Backbone interact. energy: -1.334 local terms energy: -738.095812 where: bonds (distance) C4'-P energy: -122.741 bonds (distance) P-C4' energy: -143.209 flat angles C4'-P-C4' energy: -153.594 flat angles P-C4'-P energy: -99.640 tors. eta vs tors. theta energy: -218.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -2306.256541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.256541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.256541 (E_RNA) where: Base-Base interactions energy: -1597.210 where: short stacking energy: -679.580 Base-Backbone interact. energy: 1.633 local terms energy: -710.678918 where: bonds (distance) C4'-P energy: -133.350 bonds (distance) P-C4' energy: -129.431 flat angles C4'-P-C4' energy: -145.959 flat angles P-C4'-P energy: -113.609 tors. eta vs tors. theta energy: -188.329 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: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2159.543040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.543040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.543040 (E_RNA) where: Base-Base interactions energy: -1487.735 where: short stacking energy: -652.885 Base-Backbone interact. energy: -1.770 local terms energy: -670.037869 where: bonds (distance) C4'-P energy: -103.176 bonds (distance) P-C4' energy: -139.377 flat angles C4'-P-C4' energy: -137.356 flat angles P-C4'-P energy: -92.067 tors. eta vs tors. theta energy: -198.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -2036.902942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.902942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.902942 (E_RNA) where: Base-Base interactions energy: -1400.543 where: short stacking energy: -596.994 Base-Backbone interact. energy: 1.483 local terms energy: -637.842872 where: bonds (distance) C4'-P energy: -123.671 bonds (distance) P-C4' energy: -113.233 flat angles C4'-P-C4' energy: -143.860 flat angles P-C4'-P energy: -89.427 tors. eta vs tors. theta energy: -167.652 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: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1958.207844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.207844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.207844 (E_RNA) where: Base-Base interactions energy: -1332.407 where: short stacking energy: -572.164 Base-Backbone interact. energy: -1.699 local terms energy: -624.102307 where: bonds (distance) C4'-P energy: -108.182 bonds (distance) P-C4' energy: -127.033 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -88.077 tors. eta vs tors. theta energy: -163.143 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: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1599.465761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.465761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.465761 (E_RNA) where: Base-Base interactions energy: -1058.587 where: short stacking energy: -463.884 Base-Backbone interact. energy: 1.006 local terms energy: -541.884109 where: bonds (distance) C4'-P energy: -112.380 bonds (distance) P-C4' energy: -108.475 flat angles C4'-P-C4' energy: -126.326 flat angles P-C4'-P energy: -88.649 tors. eta vs tors. theta energy: -106.053 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: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1527.442510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.442510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.442510 (E_RNA) where: Base-Base interactions energy: -1038.946 where: short stacking energy: -446.477 Base-Backbone interact. energy: 1.862 local terms energy: -490.358084 where: bonds (distance) C4'-P energy: -103.433 bonds (distance) P-C4' energy: -111.381 flat angles C4'-P-C4' energy: -116.965 flat angles P-C4'-P energy: -74.100 tors. eta vs tors. theta energy: -84.480 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: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1385.994596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.994596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.994596 (E_RNA) where: Base-Base interactions energy: -909.101 where: short stacking energy: -387.084 Base-Backbone interact. energy: 1.716 local terms energy: -478.609443 where: bonds (distance) C4'-P energy: -116.405 bonds (distance) P-C4' energy: -111.070 flat angles C4'-P-C4' energy: -122.857 flat angles P-C4'-P energy: -57.443 tors. eta vs tors. theta energy: -70.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1188.703015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.703015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.703015 (E_RNA) where: Base-Base interactions energy: -761.364 where: short stacking energy: -327.796 Base-Backbone interact. energy: -0.249 local terms energy: -427.090096 where: bonds (distance) C4'-P energy: -92.843 bonds (distance) P-C4' energy: -106.690 flat angles C4'-P-C4' energy: -103.188 flat angles P-C4'-P energy: -70.708 tors. eta vs tors. theta energy: -53.661 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: 20 Temperature: 0.900000 Total energy: -2486.934857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.934857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.934857 (E_RNA) where: Base-Base interactions energy: -1763.556 where: short stacking energy: -732.887 Base-Backbone interact. energy: -3.094 local terms energy: -720.284691 where: bonds (distance) C4'-P energy: -131.935 bonds (distance) P-C4' energy: -123.093 flat angles C4'-P-C4' energy: -147.174 flat angles P-C4'-P energy: -107.585 tors. eta vs tors. theta energy: -210.498 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: 2, replica: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2384.310090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.310090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.310090 (E_RNA) where: Base-Base interactions energy: -1675.241 where: short stacking energy: -685.036 Base-Backbone interact. energy: -0.886 local terms energy: -708.183480 where: bonds (distance) C4'-P energy: -126.297 bonds (distance) P-C4' energy: -131.376 flat angles C4'-P-C4' energy: -147.708 flat angles P-C4'-P energy: -93.957 tors. eta vs tors. theta energy: -208.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2310.076152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.076152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.076152 (E_RNA) where: Base-Base interactions energy: -1620.577 where: short stacking energy: -672.408 Base-Backbone interact. energy: 1.471 local terms energy: -690.969351 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -117.179 flat angles C4'-P-C4' energy: -131.563 flat angles P-C4'-P energy: -101.549 tors. eta vs tors. theta energy: -198.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2179.002108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.002108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.002108 (E_RNA) where: Base-Base interactions energy: -1504.953 where: short stacking energy: -659.332 Base-Backbone interact. energy: -1.780 local terms energy: -672.268669 where: bonds (distance) C4'-P energy: -105.931 bonds (distance) P-C4' energy: -127.806 flat angles C4'-P-C4' energy: -142.388 flat angles P-C4'-P energy: -96.573 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: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -2032.721506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.721506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.721506 (E_RNA) where: Base-Base interactions energy: -1395.416 where: short stacking energy: -566.397 Base-Backbone interact. energy: -0.810 local terms energy: -636.495458 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -127.246 flat angles C4'-P-C4' energy: -147.753 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -163.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1875.360895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.360895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.360895 (E_RNA) where: Base-Base interactions energy: -1261.215 where: short stacking energy: -535.439 Base-Backbone interact. energy: -2.039 local terms energy: -612.107148 where: bonds (distance) C4'-P energy: -118.773 bonds (distance) P-C4' energy: -120.659 flat angles C4'-P-C4' energy: -134.109 flat angles P-C4'-P energy: -82.274 tors. eta vs tors. theta energy: -156.293 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: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1700.467150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.467150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.467150 (E_RNA) where: Base-Base interactions energy: -1127.478 where: short stacking energy: -511.459 Base-Backbone interact. energy: 0.691 local terms energy: -573.680135 where: bonds (distance) C4'-P energy: -115.949 bonds (distance) P-C4' energy: -120.687 flat angles C4'-P-C4' energy: -133.565 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -132.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1594.897776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.897776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.897776 (E_RNA) where: Base-Base interactions energy: -1146.698 where: short stacking energy: -477.802 Base-Backbone interact. energy: 0.312 local terms energy: -448.511928 where: bonds (distance) C4'-P energy: -97.097 bonds (distance) P-C4' energy: -90.697 flat angles C4'-P-C4' energy: -96.018 flat angles P-C4'-P energy: -59.153 tors. eta vs tors. theta energy: -105.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1236.336186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.336186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.336186 (E_RNA) where: Base-Base interactions energy: -799.188 where: short stacking energy: -345.354 Base-Backbone interact. energy: 2.755 local terms energy: -439.902842 where: bonds (distance) C4'-P energy: -102.019 bonds (distance) P-C4' energy: -106.971 flat angles C4'-P-C4' energy: -111.925 flat angles P-C4'-P energy: -59.525 tors. eta vs tors. theta energy: -59.463 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: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1396.511758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.511758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.511758 (E_RNA) where: Base-Base interactions energy: -957.917 where: short stacking energy: -416.120 Base-Backbone interact. energy: -0.646 local terms energy: -437.948439 where: bonds (distance) C4'-P energy: -77.062 bonds (distance) P-C4' energy: -102.094 flat angles C4'-P-C4' energy: -110.136 flat angles P-C4'-P energy: -66.072 tors. eta vs tors. theta energy: -82.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2454.901133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.901133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.901133 (E_RNA) where: Base-Base interactions energy: -1731.687 where: short stacking energy: -706.075 Base-Backbone interact. energy: -4.935 local terms energy: -718.279371 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -131.323 flat angles C4'-P-C4' energy: -146.706 flat angles P-C4'-P energy: -98.516 tors. eta vs tors. theta energy: -213.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2345.236389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.236389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.236389 (E_RNA) where: Base-Base interactions energy: -1632.136 where: short stacking energy: -682.664 Base-Backbone interact. energy: -0.693 local terms energy: -712.407314 where: bonds (distance) C4'-P energy: -126.152 bonds (distance) P-C4' energy: -137.727 flat angles C4'-P-C4' energy: -153.342 flat angles P-C4'-P energy: -94.358 tors. eta vs tors. theta energy: -200.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2281.964002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.964002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.964002 (E_RNA) where: Base-Base interactions energy: -1582.116 where: short stacking energy: -677.201 Base-Backbone interact. energy: -3.383 local terms energy: -696.465202 where: bonds (distance) C4'-P energy: -119.435 bonds (distance) P-C4' energy: -140.772 flat angles C4'-P-C4' energy: -145.938 flat angles P-C4'-P energy: -101.860 tors. eta vs tors. theta energy: -188.460 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: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2122.731610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.731610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.731610 (E_RNA) where: Base-Base interactions energy: -1469.586 where: short stacking energy: -619.729 Base-Backbone interact. energy: -4.985 local terms energy: -648.159756 where: bonds (distance) C4'-P energy: -126.217 bonds (distance) P-C4' energy: -119.183 flat angles C4'-P-C4' energy: -133.389 flat angles P-C4'-P energy: -79.326 tors. eta vs tors. theta energy: -190.044 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: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -2050.304109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.304109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.304109 (E_RNA) where: Base-Base interactions energy: -1400.788 where: short stacking energy: -618.832 Base-Backbone interact. energy: -1.421 local terms energy: -648.095662 where: bonds (distance) C4'-P energy: -118.618 bonds (distance) P-C4' energy: -123.388 flat angles C4'-P-C4' energy: -135.265 flat angles P-C4'-P energy: -93.156 tors. eta vs tors. theta energy: -177.668 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: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1832.314496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.314496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.314496 (E_RNA) where: Base-Base interactions energy: -1253.804 where: short stacking energy: -553.664 Base-Backbone interact. energy: -0.903 local terms energy: -577.607587 where: bonds (distance) C4'-P energy: -106.076 bonds (distance) P-C4' energy: -120.748 flat angles C4'-P-C4' energy: -125.749 flat angles P-C4'-P energy: -84.727 tors. eta vs tors. theta energy: -140.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1711.586253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.586253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.586253 (E_RNA) where: Base-Base interactions energy: -1123.647 where: short stacking energy: -486.473 Base-Backbone interact. energy: -2.834 local terms energy: -585.104775 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -120.643 flat angles C4'-P-C4' energy: -146.859 flat angles P-C4'-P energy: -74.339 tors. eta vs tors. theta energy: -142.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1531.493163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.493163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.493163 (E_RNA) where: Base-Base interactions energy: -998.276 where: short stacking energy: -450.054 Base-Backbone interact. energy: 0.845 local terms energy: -534.062018 where: bonds (distance) C4'-P energy: -106.638 bonds (distance) P-C4' energy: -118.030 flat angles C4'-P-C4' energy: -121.578 flat angles P-C4'-P energy: -82.106 tors. eta vs tors. theta energy: -105.710 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: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1262.909336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.909336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.909336 (E_RNA) where: Base-Base interactions energy: -825.578 where: short stacking energy: -386.488 Base-Backbone interact. energy: -2.751 local terms energy: -434.579908 where: bonds (distance) C4'-P energy: -95.939 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -120.303 flat angles P-C4'-P energy: -56.041 tors. eta vs tors. theta energy: -70.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1450.047280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.047280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.047280 (E_RNA) where: Base-Base interactions energy: -994.722 where: short stacking energy: -402.421 Base-Backbone interact. energy: -1.167 local terms energy: -454.158313 where: bonds (distance) C4'-P energy: -114.722 bonds (distance) P-C4' energy: -87.117 flat angles C4'-P-C4' energy: -93.626 flat angles P-C4'-P energy: -70.575 tors. eta vs tors. theta energy: -88.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2453.396140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.396140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.396140 (E_RNA) where: Base-Base interactions energy: -1696.538 where: short stacking energy: -722.713 Base-Backbone interact. energy: -4.200 local terms energy: -752.658766 where: bonds (distance) C4'-P energy: -136.514 bonds (distance) P-C4' energy: -147.596 flat angles C4'-P-C4' energy: -147.981 flat angles P-C4'-P energy: -112.624 tors. eta vs tors. theta energy: -207.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2360.485740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.485740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.485740 (E_RNA) where: Base-Base interactions energy: -1650.289 where: short stacking energy: -694.895 Base-Backbone interact. energy: 1.389 local terms energy: -711.585813 where: bonds (distance) C4'-P energy: -117.947 bonds (distance) P-C4' energy: -127.256 flat angles C4'-P-C4' energy: -154.652 flat angles P-C4'-P energy: -104.385 tors. eta vs tors. theta energy: -207.346 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: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2273.572167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.572167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.572167 (E_RNA) where: Base-Base interactions energy: -1584.442 where: short stacking energy: -669.266 Base-Backbone interact. energy: -1.635 local terms energy: -687.495121 where: bonds (distance) C4'-P energy: -110.081 bonds (distance) P-C4' energy: -127.678 flat angles C4'-P-C4' energy: -147.438 flat angles P-C4'-P energy: -103.122 tors. eta vs tors. theta energy: -199.176 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: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2138.360419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.360419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.360419 (E_RNA) where: Base-Base interactions energy: -1468.862 where: short stacking energy: -622.917 Base-Backbone interact. energy: -0.471 local terms energy: -669.027736 where: bonds (distance) C4'-P energy: -127.416 bonds (distance) P-C4' energy: -120.857 flat angles C4'-P-C4' energy: -147.744 flat angles P-C4'-P energy: -88.440 tors. eta vs tors. theta energy: -184.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -2057.711331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.711331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.711331 (E_RNA) where: Base-Base interactions energy: -1424.450 where: short stacking energy: -611.060 Base-Backbone interact. energy: 0.203 local terms energy: -633.464965 where: bonds (distance) C4'-P energy: -123.556 bonds (distance) P-C4' energy: -111.484 flat angles C4'-P-C4' energy: -125.763 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -177.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1894.031518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.031518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.031518 (E_RNA) where: Base-Base interactions energy: -1345.747 where: short stacking energy: -581.554 Base-Backbone interact. energy: -2.505 local terms energy: -545.779501 where: bonds (distance) C4'-P energy: -98.671 bonds (distance) P-C4' energy: -113.204 flat angles C4'-P-C4' energy: -116.062 flat angles P-C4'-P energy: -71.181 tors. eta vs tors. theta energy: -146.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1707.593837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.593837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.593837 (E_RNA) where: Base-Base interactions energy: -1149.607 where: short stacking energy: -487.664 Base-Backbone interact. energy: 0.756 local terms energy: -558.743164 where: bonds (distance) C4'-P energy: -115.881 bonds (distance) P-C4' energy: -118.812 flat angles C4'-P-C4' energy: -120.811 flat angles P-C4'-P energy: -74.634 tors. eta vs tors. theta energy: -128.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1484.787584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.787584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.787584 (E_RNA) where: Base-Base interactions energy: -956.546 where: short stacking energy: -408.469 Base-Backbone interact. energy: -0.016 local terms energy: -528.225914 where: bonds (distance) C4'-P energy: -117.371 bonds (distance) P-C4' energy: -114.791 flat angles C4'-P-C4' energy: -127.212 flat angles P-C4'-P energy: -73.067 tors. eta vs tors. theta energy: -95.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1480.693881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.693881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.693881 (E_RNA) where: Base-Base interactions energy: -992.791 where: short stacking energy: -443.547 Base-Backbone interact. energy: -3.457 local terms energy: -484.446104 where: bonds (distance) C4'-P energy: -102.061 bonds (distance) P-C4' energy: -119.072 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -56.150 tors. eta vs tors. theta energy: -96.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1168.449762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.449762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.449762 (E_RNA) where: Base-Base interactions energy: -758.614 where: short stacking energy: -308.770 Base-Backbone interact. energy: -3.543 local terms energy: -406.293460 where: bonds (distance) C4'-P energy: -93.922 bonds (distance) P-C4' energy: -118.946 flat angles C4'-P-C4' energy: -88.711 flat angles P-C4'-P energy: -69.640 tors. eta vs tors. theta energy: -35.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2446.548892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.548892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.548892 (E_RNA) where: Base-Base interactions energy: -1743.833 where: short stacking energy: -714.754 Base-Backbone interact. energy: 4.462 local terms energy: -707.177556 where: bonds (distance) C4'-P energy: -132.472 bonds (distance) P-C4' energy: -119.306 flat angles C4'-P-C4' energy: -157.106 flat angles P-C4'-P energy: -93.421 tors. eta vs tors. theta energy: -204.873 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: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2334.662678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.662678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.662678 (E_RNA) where: Base-Base interactions energy: -1629.529 where: short stacking energy: -683.470 Base-Backbone interact. energy: -4.663 local terms energy: -700.471209 where: bonds (distance) C4'-P energy: -122.814 bonds (distance) P-C4' energy: -128.927 flat angles C4'-P-C4' energy: -145.945 flat angles P-C4'-P energy: -91.497 tors. eta vs tors. theta energy: -211.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2243.372054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.372054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.372054 (E_RNA) where: Base-Base interactions energy: -1575.172 where: short stacking energy: -667.428 Base-Backbone interact. energy: -1.645 local terms energy: -666.555133 where: bonds (distance) C4'-P energy: -125.097 bonds (distance) P-C4' energy: -117.035 flat angles C4'-P-C4' energy: -137.604 flat angles P-C4'-P energy: -96.383 tors. eta vs tors. theta energy: -190.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2156.430911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.430911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.430911 (E_RNA) where: Base-Base interactions energy: -1493.340 where: short stacking energy: -632.778 Base-Backbone interact. energy: -0.998 local terms energy: -662.092382 where: bonds (distance) C4'-P energy: -114.961 bonds (distance) P-C4' energy: -121.770 flat angles C4'-P-C4' energy: -141.537 flat angles P-C4'-P energy: -87.137 tors. eta vs tors. theta energy: -196.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2073.026135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.026135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.026135 (E_RNA) where: Base-Base interactions energy: -1415.158 where: short stacking energy: -590.390 Base-Backbone interact. energy: 0.798 local terms energy: -658.666023 where: bonds (distance) C4'-P energy: -112.480 bonds (distance) P-C4' energy: -128.876 flat angles C4'-P-C4' energy: -140.765 flat angles P-C4'-P energy: -101.938 tors. eta vs tors. theta energy: -174.607 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: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1828.821919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.821919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.821919 (E_RNA) where: Base-Base interactions energy: -1224.123 where: short stacking energy: -527.131 Base-Backbone interact. energy: -2.310 local terms energy: -602.388838 where: bonds (distance) C4'-P energy: -114.671 bonds (distance) P-C4' energy: -121.891 flat angles C4'-P-C4' energy: -140.900 flat angles P-C4'-P energy: -82.721 tors. eta vs tors. theta energy: -142.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1692.727398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.727398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.727398 (E_RNA) where: Base-Base interactions energy: -1141.932 where: short stacking energy: -499.134 Base-Backbone interact. energy: -1.298 local terms energy: -549.497393 where: bonds (distance) C4'-P energy: -100.318 bonds (distance) P-C4' energy: -119.152 flat angles C4'-P-C4' energy: -135.327 flat angles P-C4'-P energy: -74.174 tors. eta vs tors. theta energy: -120.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1643.718051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.718051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.718051 (E_RNA) where: Base-Base interactions energy: -1105.526 where: short stacking energy: -473.545 Base-Backbone interact. energy: 3.547 local terms energy: -541.739590 where: bonds (distance) C4'-P energy: -102.381 bonds (distance) P-C4' energy: -118.322 flat angles C4'-P-C4' energy: -117.309 flat angles P-C4'-P energy: -91.065 tors. eta vs tors. theta energy: -112.663 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: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1467.750200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.750200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.750200 (E_RNA) where: Base-Base interactions energy: -972.549 where: short stacking energy: -438.939 Base-Backbone interact. energy: -1.241 local terms energy: -493.960128 where: bonds (distance) C4'-P energy: -99.514 bonds (distance) P-C4' energy: -114.280 flat angles C4'-P-C4' energy: -106.095 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -105.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1042.973526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.973526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.973526 (E_RNA) where: Base-Base interactions energy: -652.658 where: short stacking energy: -303.860 Base-Backbone interact. energy: -2.367 local terms energy: -387.948411 where: bonds (distance) C4'-P energy: -104.629 bonds (distance) P-C4' energy: -100.058 flat angles C4'-P-C4' energy: -103.021 flat angles P-C4'-P energy: -60.930 tors. eta vs tors. theta energy: -19.310 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: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2457.203754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.203754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.203754 (E_RNA) where: Base-Base interactions energy: -1731.464 where: short stacking energy: -718.526 Base-Backbone interact. energy: -2.567 local terms energy: -723.172362 where: bonds (distance) C4'-P energy: -119.325 bonds (distance) P-C4' energy: -148.660 flat angles C4'-P-C4' energy: -154.497 flat angles P-C4'-P energy: -91.575 tors. eta vs tors. theta energy: -209.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2368.146547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.146547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.146547 (E_RNA) where: Base-Base interactions energy: -1645.715 where: short stacking energy: -672.547 Base-Backbone interact. energy: -2.207 local terms energy: -720.223948 where: bonds (distance) C4'-P energy: -134.231 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -153.004 flat angles P-C4'-P energy: -88.690 tors. eta vs tors. theta energy: -206.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2264.536629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.536629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.536629 (E_RNA) where: Base-Base interactions energy: -1574.532 where: short stacking energy: -689.973 Base-Backbone interact. energy: 1.909 local terms energy: -691.913456 where: bonds (distance) C4'-P energy: -125.300 bonds (distance) P-C4' energy: -122.439 flat angles C4'-P-C4' energy: -147.724 flat angles P-C4'-P energy: -99.595 tors. eta vs tors. theta energy: -196.856 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: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2136.904959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.904959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.904959 (E_RNA) where: Base-Base interactions energy: -1478.939 where: short stacking energy: -641.931 Base-Backbone interact. energy: -0.270 local terms energy: -657.696498 where: bonds (distance) C4'-P energy: -117.223 bonds (distance) P-C4' energy: -123.894 flat angles C4'-P-C4' energy: -146.311 flat angles P-C4'-P energy: -78.668 tors. eta vs tors. theta energy: -191.600 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: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2049.175955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.175955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.175955 (E_RNA) where: Base-Base interactions energy: -1434.460 where: short stacking energy: -613.014 Base-Backbone interact. energy: 0.292 local terms energy: -615.008331 where: bonds (distance) C4'-P energy: -106.010 bonds (distance) P-C4' energy: -121.962 flat angles C4'-P-C4' energy: -135.865 flat angles P-C4'-P energy: -86.924 tors. eta vs tors. theta energy: -164.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1828.017343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.017343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.017343 (E_RNA) where: Base-Base interactions energy: -1234.959 where: short stacking energy: -531.394 Base-Backbone interact. energy: -3.042 local terms energy: -590.015993 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -108.639 flat angles C4'-P-C4' energy: -128.879 flat angles P-C4'-P energy: -93.620 tors. eta vs tors. theta energy: -141.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1687.381057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.381057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.381057 (E_RNA) where: Base-Base interactions energy: -1122.450 where: short stacking energy: -508.227 Base-Backbone interact. energy: -2.002 local terms energy: -562.929324 where: bonds (distance) C4'-P energy: -97.789 bonds (distance) P-C4' energy: -125.952 flat angles C4'-P-C4' energy: -130.692 flat angles P-C4'-P energy: -83.881 tors. eta vs tors. theta energy: -124.616 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: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1742.203567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.203567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.203567 (E_RNA) where: Base-Base interactions energy: -1209.179 where: short stacking energy: -519.666 Base-Backbone interact. energy: -0.620 local terms energy: -532.404398 where: bonds (distance) C4'-P energy: -110.030 bonds (distance) P-C4' energy: -100.844 flat angles C4'-P-C4' energy: -118.525 flat angles P-C4'-P energy: -75.836 tors. eta vs tors. theta energy: -127.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1470.434527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.434527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.434527 (E_RNA) where: Base-Base interactions energy: -980.796 where: short stacking energy: -436.041 Base-Backbone interact. energy: 0.705 local terms energy: -490.344095 where: bonds (distance) C4'-P energy: -120.092 bonds (distance) P-C4' energy: -96.212 flat angles C4'-P-C4' energy: -123.791 flat angles P-C4'-P energy: -63.270 tors. eta vs tors. theta energy: -86.979 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: 24 Temperature: 1.350000 Total energy: -1117.177721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.177721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.177721 (E_RNA) where: Base-Base interactions energy: -713.041 where: short stacking energy: -323.219 Base-Backbone interact. energy: 0.649 local terms energy: -404.785255 where: bonds (distance) C4'-P energy: -100.227 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -111.218 flat angles P-C4'-P energy: -40.224 tors. eta vs tors. theta energy: -46.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2486.332657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.332657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.332657 (E_RNA) where: Base-Base interactions energy: -1781.615 where: short stacking energy: -741.929 Base-Backbone interact. energy: -3.925 local terms energy: -700.793252 where: bonds (distance) C4'-P energy: -130.015 bonds (distance) P-C4' energy: -129.329 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -84.347 tors. eta vs tors. theta energy: -207.805 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: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2379.828523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.828523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.828523 (E_RNA) where: Base-Base interactions energy: -1659.331 where: short stacking energy: -690.454 Base-Backbone interact. energy: -0.175 local terms energy: -720.322774 where: bonds (distance) C4'-P energy: -138.156 bonds (distance) P-C4' energy: -124.763 flat angles C4'-P-C4' energy: -149.792 flat angles P-C4'-P energy: -93.077 tors. eta vs tors. theta energy: -214.535 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: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2275.002683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.002683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.002683 (E_RNA) where: Base-Base interactions energy: -1598.589 where: short stacking energy: -675.559 Base-Backbone interact. energy: -0.365 local terms energy: -676.047980 where: bonds (distance) C4'-P energy: -109.908 bonds (distance) P-C4' energy: -141.468 flat angles C4'-P-C4' energy: -131.535 flat angles P-C4'-P energy: -88.126 tors. eta vs tors. theta energy: -205.012 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: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2178.484240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.484240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.484240 (E_RNA) where: Base-Base interactions energy: -1492.269 where: short stacking energy: -665.547 Base-Backbone interact. energy: -0.000 local terms energy: -686.215458 where: bonds (distance) C4'-P energy: -120.371 bonds (distance) P-C4' energy: -125.733 flat angles C4'-P-C4' energy: -144.992 flat angles P-C4'-P energy: -90.376 tors. eta vs tors. theta energy: -204.744 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: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2044.585960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.585960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.585960 (E_RNA) where: Base-Base interactions energy: -1446.716 where: short stacking energy: -591.177 Base-Backbone interact. energy: -3.534 local terms energy: -594.336480 where: bonds (distance) C4'-P energy: -113.815 bonds (distance) P-C4' energy: -117.986 flat angles C4'-P-C4' energy: -135.310 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: -148.507 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: 25 Temperature: 1.150000 Total energy: -1796.760240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.760240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.760240 (E_RNA) where: Base-Base interactions energy: -1170.906 where: short stacking energy: -527.672 Base-Backbone interact. energy: -1.860 local terms energy: -623.994833 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -138.334 flat angles C4'-P-C4' energy: -135.629 flat angles P-C4'-P energy: -93.576 tors. eta vs tors. theta energy: -133.101 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: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1717.315636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.315636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.315636 (E_RNA) where: Base-Base interactions energy: -1166.507 where: short stacking energy: -470.477 Base-Backbone interact. energy: -3.544 local terms energy: -547.263996 where: bonds (distance) C4'-P energy: -108.662 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -73.352 tors. eta vs tors. theta energy: -119.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1646.807200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.807200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.807200 (E_RNA) where: Base-Base interactions energy: -1131.345 where: short stacking energy: -491.564 Base-Backbone interact. energy: -3.172 local terms energy: -512.290709 where: bonds (distance) C4'-P energy: -109.006 bonds (distance) P-C4' energy: -102.539 flat angles C4'-P-C4' energy: -117.426 flat angles P-C4'-P energy: -61.959 tors. eta vs tors. theta energy: -121.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1404.159664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.159664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.159664 (E_RNA) where: Base-Base interactions energy: -910.495 where: short stacking energy: -378.609 Base-Backbone interact. energy: -1.894 local terms energy: -491.770396 where: bonds (distance) C4'-P energy: -111.500 bonds (distance) P-C4' energy: -123.751 flat angles C4'-P-C4' energy: -101.226 flat angles P-C4'-P energy: -64.634 tors. eta vs tors. theta energy: -90.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -1179.627596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.627596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.627596 (E_RNA) where: Base-Base interactions energy: -769.813 where: short stacking energy: -345.579 Base-Backbone interact. energy: -0.570 local terms energy: -409.244773 where: bonds (distance) C4'-P energy: -96.828 bonds (distance) P-C4' energy: -114.706 flat angles C4'-P-C4' energy: -100.771 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -36.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2456.693479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.693479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.693479 (E_RNA) where: Base-Base interactions energy: -1715.931 where: short stacking energy: -712.915 Base-Backbone interact. energy: -0.078 local terms energy: -740.684607 where: bonds (distance) C4'-P energy: -123.577 bonds (distance) P-C4' energy: -140.326 flat angles C4'-P-C4' energy: -155.486 flat angles P-C4'-P energy: -110.980 tors. eta vs tors. theta energy: -210.315 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: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2382.898058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.898058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.898058 (E_RNA) where: Base-Base interactions energy: -1648.468 where: short stacking energy: -690.226 Base-Backbone interact. energy: -6.178 local terms energy: -728.252055 where: bonds (distance) C4'-P energy: -134.283 bonds (distance) P-C4' energy: -139.401 flat angles C4'-P-C4' energy: -146.158 flat angles P-C4'-P energy: -91.970 tors. eta vs tors. theta energy: -216.441 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: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2288.095245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.095245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.095245 (E_RNA) where: Base-Base interactions energy: -1614.919 where: short stacking energy: -665.493 Base-Backbone interact. energy: 1.066 local terms energy: -674.242067 where: bonds (distance) C4'-P energy: -102.941 bonds (distance) P-C4' energy: -123.155 flat angles C4'-P-C4' energy: -149.857 flat angles P-C4'-P energy: -103.245 tors. eta vs tors. theta energy: -195.044 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: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2158.617255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.617255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.617255 (E_RNA) where: Base-Base interactions energy: -1471.254 where: short stacking energy: -658.590 Base-Backbone interact. energy: -0.636 local terms energy: -686.727666 where: bonds (distance) C4'-P energy: -125.158 bonds (distance) P-C4' energy: -110.962 flat angles C4'-P-C4' energy: -144.601 flat angles P-C4'-P energy: -105.361 tors. eta vs tors. theta energy: -200.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2049.962400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.962400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.962400 (E_RNA) where: Base-Base interactions energy: -1410.474 where: short stacking energy: -595.422 Base-Backbone interact. energy: -2.363 local terms energy: -637.125445 where: bonds (distance) C4'-P energy: -112.137 bonds (distance) P-C4' energy: -115.578 flat angles C4'-P-C4' energy: -137.623 flat angles P-C4'-P energy: -90.671 tors. eta vs tors. theta energy: -181.115 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: 26 Temperature: 1.150000 Total energy: -1802.459883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.459883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.459883 (E_RNA) where: Base-Base interactions energy: -1202.194 where: short stacking energy: -536.963 Base-Backbone interact. energy: -1.598 local terms energy: -598.668007 where: bonds (distance) C4'-P energy: -115.124 bonds (distance) P-C4' energy: -124.371 flat angles C4'-P-C4' energy: -144.482 flat angles P-C4'-P energy: -75.165 tors. eta vs tors. theta energy: -139.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1645.635122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.635122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.635122 (E_RNA) where: Base-Base interactions energy: -1111.865 where: short stacking energy: -464.964 Base-Backbone interact. energy: -0.643 local terms energy: -533.126816 where: bonds (distance) C4'-P energy: -119.145 bonds (distance) P-C4' energy: -103.243 flat angles C4'-P-C4' energy: -125.486 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -108.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1670.133054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.133054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.133054 (E_RNA) where: Base-Base interactions energy: -1113.428 where: short stacking energy: -478.167 Base-Backbone interact. energy: 2.394 local terms energy: -559.099482 where: bonds (distance) C4'-P energy: -113.323 bonds (distance) P-C4' energy: -116.531 flat angles C4'-P-C4' energy: -134.450 flat angles P-C4'-P energy: -77.865 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: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1439.023275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.023275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.023275 (E_RNA) where: Base-Base interactions energy: -940.776 where: short stacking energy: -404.260 Base-Backbone interact. energy: -4.083 local terms energy: -494.164207 where: bonds (distance) C4'-P energy: -96.732 bonds (distance) P-C4' energy: -105.572 flat angles C4'-P-C4' energy: -116.730 flat angles P-C4'-P energy: -78.473 tors. eta vs tors. theta energy: -96.657 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: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1082.015940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.015940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.015940 (E_RNA) where: Base-Base interactions energy: -651.293 where: short stacking energy: -284.956 Base-Backbone interact. energy: 4.445 local terms energy: -435.167837 where: bonds (distance) C4'-P energy: -102.193 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -83.312 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -45.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2435.437903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.437903 (E_RNA) where: Base-Base interactions energy: -1689.328 where: short stacking energy: -738.371 Base-Backbone interact. energy: 1.519 local terms energy: -747.628720 where: bonds (distance) C4'-P energy: -142.465 bonds (distance) P-C4' energy: -126.938 flat angles C4'-P-C4' energy: -155.101 flat angles P-C4'-P energy: -102.244 tors. eta vs tors. theta energy: -220.881 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: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2383.426599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.426599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.426599 (E_RNA) where: Base-Base interactions energy: -1654.883 where: short stacking energy: -706.112 Base-Backbone interact. energy: -2.455 local terms energy: -726.088417 where: bonds (distance) C4'-P energy: -130.537 bonds (distance) P-C4' energy: -135.346 flat angles C4'-P-C4' energy: -149.789 flat angles P-C4'-P energy: -97.143 tors. eta vs tors. theta energy: -213.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2298.298116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.298116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.298116 (E_RNA) where: Base-Base interactions energy: -1594.173 where: short stacking energy: -673.618 Base-Backbone interact. energy: -4.103 local terms energy: -700.022548 where: bonds (distance) C4'-P energy: -122.211 bonds (distance) P-C4' energy: -126.727 flat angles C4'-P-C4' energy: -147.655 flat angles P-C4'-P energy: -91.710 tors. eta vs tors. theta energy: -211.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2204.314789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.314789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.314789 (E_RNA) where: Base-Base interactions energy: -1494.814 where: short stacking energy: -644.839 Base-Backbone interact. energy: 0.905 local terms energy: -710.405069 where: bonds (distance) C4'-P energy: -119.007 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -140.481 flat angles P-C4'-P energy: -99.249 tors. eta vs tors. theta energy: -207.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2040.608605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.608605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.608605 (E_RNA) where: Base-Base interactions energy: -1438.616 where: short stacking energy: -619.429 Base-Backbone interact. energy: -0.901 local terms energy: -601.091505 where: bonds (distance) C4'-P energy: -124.303 bonds (distance) P-C4' energy: -99.642 flat angles C4'-P-C4' energy: -122.932 flat angles P-C4'-P energy: -82.582 tors. eta vs tors. theta energy: -171.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1771.792874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.792874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.792874 (E_RNA) where: Base-Base interactions energy: -1197.101 where: short stacking energy: -513.702 Base-Backbone interact. energy: -0.579 local terms energy: -574.112717 where: bonds (distance) C4'-P energy: -103.988 bonds (distance) P-C4' energy: -119.678 flat angles C4'-P-C4' energy: -136.664 flat angles P-C4'-P energy: -81.887 tors. eta vs tors. theta energy: -131.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1675.982256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.982256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.982256 (E_RNA) where: Base-Base interactions energy: -1146.206 where: short stacking energy: -489.669 Base-Backbone interact. energy: -1.211 local terms energy: -528.565209 where: bonds (distance) C4'-P energy: -102.795 bonds (distance) P-C4' energy: -113.133 flat angles C4'-P-C4' energy: -116.006 flat angles P-C4'-P energy: -78.591 tors. eta vs tors. theta energy: -118.041 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: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1711.101369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.101369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.101369 (E_RNA) where: Base-Base interactions energy: -1154.094 where: short stacking energy: -479.820 Base-Backbone interact. energy: -2.098 local terms energy: -554.908715 where: bonds (distance) C4'-P energy: -116.151 bonds (distance) P-C4' energy: -102.407 flat angles C4'-P-C4' energy: -129.695 flat angles P-C4'-P energy: -81.506 tors. eta vs tors. theta energy: -125.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1454.744102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.744102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.744102 (E_RNA) where: Base-Base interactions energy: -965.150 where: short stacking energy: -415.161 Base-Backbone interact. energy: -1.966 local terms energy: -487.627713 where: bonds (distance) C4'-P energy: -105.196 bonds (distance) P-C4' energy: -105.531 flat angles C4'-P-C4' energy: -119.965 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -85.599 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: 27 Temperature: 1.350000 Total energy: -1058.689771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.689771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.689771 (E_RNA) where: Base-Base interactions energy: -646.175 where: short stacking energy: -292.637 Base-Backbone interact. energy: 1.830 local terms energy: -414.344451 where: bonds (distance) C4'-P energy: -101.683 bonds (distance) P-C4' energy: -99.015 flat angles C4'-P-C4' energy: -110.551 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -33.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2448.387025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.387025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.387025 (E_RNA) where: Base-Base interactions energy: -1706.898 where: short stacking energy: -736.256 Base-Backbone interact. energy: -3.152 local terms energy: -738.337043 where: bonds (distance) C4'-P energy: -131.400 bonds (distance) P-C4' energy: -133.571 flat angles C4'-P-C4' energy: -152.230 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -213.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2402.107623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.107623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.107623 (E_RNA) where: Base-Base interactions energy: -1690.474 where: short stacking energy: -712.266 Base-Backbone interact. energy: -1.291 local terms energy: -710.343442 where: bonds (distance) C4'-P energy: -118.425 bonds (distance) P-C4' energy: -134.215 flat angles C4'-P-C4' energy: -153.257 flat angles P-C4'-P energy: -96.125 tors. eta vs tors. theta energy: -208.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2313.890616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.890616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.890616 (E_RNA) where: Base-Base interactions energy: -1608.564 where: short stacking energy: -689.865 Base-Backbone interact. energy: -6.199 local terms energy: -699.127179 where: bonds (distance) C4'-P energy: -120.383 bonds (distance) P-C4' energy: -133.963 flat angles C4'-P-C4' energy: -142.421 flat angles P-C4'-P energy: -93.851 tors. eta vs tors. theta energy: -208.509 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: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2199.767517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.767517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.767517 (E_RNA) where: Base-Base interactions energy: -1495.692 where: short stacking energy: -660.460 Base-Backbone interact. energy: 0.369 local terms energy: -704.444016 where: bonds (distance) C4'-P energy: -131.639 bonds (distance) P-C4' energy: -117.480 flat angles C4'-P-C4' energy: -147.439 flat angles P-C4'-P energy: -101.029 tors. eta vs tors. theta energy: -206.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -2037.204074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.204074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.204074 (E_RNA) where: Base-Base interactions energy: -1404.029 where: short stacking energy: -585.660 Base-Backbone interact. energy: 0.002 local terms energy: -633.176442 where: bonds (distance) C4'-P energy: -128.707 bonds (distance) P-C4' energy: -113.163 flat angles C4'-P-C4' energy: -131.778 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -164.431 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: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1831.836684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.836684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.836684 (E_RNA) where: Base-Base interactions energy: -1255.984 where: short stacking energy: -539.760 Base-Backbone interact. energy: -4.120 local terms energy: -571.732893 where: bonds (distance) C4'-P energy: -124.338 bonds (distance) P-C4' energy: -109.516 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -75.195 tors. eta vs tors. theta energy: -135.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1783.707803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.707803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.707803 (E_RNA) where: Base-Base interactions energy: -1204.333 where: short stacking energy: -515.526 Base-Backbone interact. energy: 0.514 local terms energy: -579.888396 where: bonds (distance) C4'-P energy: -107.146 bonds (distance) P-C4' energy: -110.506 flat angles C4'-P-C4' energy: -138.282 flat angles P-C4'-P energy: -82.906 tors. eta vs tors. theta energy: -141.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1568.334256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.334256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.334256 (E_RNA) where: Base-Base interactions energy: -1070.388 where: short stacking energy: -489.931 Base-Backbone interact. energy: -1.986 local terms energy: -495.960158 where: bonds (distance) C4'-P energy: -124.573 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -92.815 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: -112.663 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: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1446.984301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.984301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.984301 (E_RNA) where: Base-Base interactions energy: -978.507 where: short stacking energy: -420.026 Base-Backbone interact. energy: -3.728 local terms energy: -464.749980 where: bonds (distance) C4'-P energy: -120.825 bonds (distance) P-C4' energy: -94.115 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -57.647 tors. eta vs tors. theta energy: -78.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -1068.066227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.066227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.066227 (E_RNA) where: Base-Base interactions energy: -683.074 where: short stacking energy: -321.476 Base-Backbone interact. energy: 3.722 local terms energy: -388.713849 where: bonds (distance) C4'-P energy: -97.709 bonds (distance) P-C4' energy: -110.633 flat angles C4'-P-C4' energy: -88.551 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -32.669 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: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2452.824032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.824032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.824032 (E_RNA) where: Base-Base interactions energy: -1731.783 where: short stacking energy: -741.437 Base-Backbone interact. energy: 0.782 local terms energy: -721.823652 where: bonds (distance) C4'-P energy: -129.031 bonds (distance) P-C4' energy: -124.675 flat angles C4'-P-C4' energy: -148.677 flat angles P-C4'-P energy: -106.369 tors. eta vs tors. theta energy: -213.072 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: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2386.727578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.727578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.727578 (E_RNA) where: Base-Base interactions energy: -1667.905 where: short stacking energy: -707.203 Base-Backbone interact. energy: -2.136 local terms energy: -716.686349 where: bonds (distance) C4'-P energy: -132.215 bonds (distance) P-C4' energy: -125.159 flat angles C4'-P-C4' energy: -155.164 flat angles P-C4'-P energy: -99.388 tors. eta vs tors. theta energy: -204.760 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: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2335.747452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.747452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.747452 (E_RNA) where: Base-Base interactions energy: -1636.335 where: short stacking energy: -680.937 Base-Backbone interact. energy: 0.668 local terms energy: -700.080368 where: bonds (distance) C4'-P energy: -126.436 bonds (distance) P-C4' energy: -115.679 flat angles C4'-P-C4' energy: -145.243 flat angles P-C4'-P energy: -103.263 tors. eta vs tors. theta energy: -209.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2224.208478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.208478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.208478 (E_RNA) where: Base-Base interactions energy: -1554.615 where: short stacking energy: -683.988 Base-Backbone interact. energy: -0.901 local terms energy: -668.693195 where: bonds (distance) C4'-P energy: -103.021 bonds (distance) P-C4' energy: -115.147 flat angles C4'-P-C4' energy: -143.410 flat angles P-C4'-P energy: -101.744 tors. eta vs tors. theta energy: -205.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -2027.991952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.991952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.991952 (E_RNA) where: Base-Base interactions energy: -1415.763 where: short stacking energy: -586.620 Base-Backbone interact. energy: -1.174 local terms energy: -611.055177 where: bonds (distance) C4'-P energy: -118.864 bonds (distance) P-C4' energy: -118.088 flat angles C4'-P-C4' energy: -135.742 flat angles P-C4'-P energy: -76.798 tors. eta vs tors. theta energy: -161.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1805.076547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.076547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.076547 (E_RNA) where: Base-Base interactions energy: -1204.682 where: short stacking energy: -511.645 Base-Backbone interact. energy: -2.914 local terms energy: -597.480202 where: bonds (distance) C4'-P energy: -115.346 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -121.980 flat angles P-C4'-P energy: -83.304 tors. eta vs tors. theta energy: -146.694 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: 29 Temperature: 1.200000 Total energy: -1748.633063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.633063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.633063 (E_RNA) where: Base-Base interactions energy: -1198.239 where: short stacking energy: -514.018 Base-Backbone interact. energy: -0.304 local terms energy: -550.089953 where: bonds (distance) C4'-P energy: -103.431 bonds (distance) P-C4' energy: -115.731 flat angles C4'-P-C4' energy: -117.004 flat angles P-C4'-P energy: -88.999 tors. eta vs tors. theta energy: -124.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1582.346003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.346003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.346003 (E_RNA) where: Base-Base interactions energy: -1070.418 where: short stacking energy: -452.119 Base-Backbone interact. energy: -1.182 local terms energy: -510.746369 where: bonds (distance) C4'-P energy: -107.537 bonds (distance) P-C4' energy: -132.916 flat angles C4'-P-C4' energy: -113.591 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -97.079 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: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1382.753464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.753464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.753464 (E_RNA) where: Base-Base interactions energy: -909.569 where: short stacking energy: -405.259 Base-Backbone interact. energy: 5.842 local terms energy: -479.025805 where: bonds (distance) C4'-P energy: -113.324 bonds (distance) P-C4' energy: -106.235 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -71.909 tors. eta vs tors. theta energy: -78.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -1115.218631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.218631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.218631 (E_RNA) where: Base-Base interactions energy: -682.065 where: short stacking energy: -313.837 Base-Backbone interact. energy: -2.861 local terms energy: -430.292207 where: bonds (distance) C4'-P energy: -85.136 bonds (distance) P-C4' energy: -111.573 flat angles C4'-P-C4' energy: -124.846 flat angles P-C4'-P energy: -62.591 tors. eta vs tors. theta energy: -46.147 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: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2440.585784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.585784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.585784 (E_RNA) where: Base-Base interactions energy: -1713.508 where: short stacking energy: -728.888 Base-Backbone interact. energy: -0.783 local terms energy: -726.294802 where: bonds (distance) C4'-P energy: -134.231 bonds (distance) P-C4' energy: -128.790 flat angles C4'-P-C4' energy: -148.263 flat angles P-C4'-P energy: -97.532 tors. eta vs tors. theta energy: -217.478 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: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2396.850702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.850702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.850702 (E_RNA) where: Base-Base interactions energy: -1678.250 where: short stacking energy: -704.348 Base-Backbone interact. energy: -3.272 local terms energy: -715.328388 where: bonds (distance) C4'-P energy: -128.628 bonds (distance) P-C4' energy: -131.566 flat angles C4'-P-C4' energy: -152.305 flat angles P-C4'-P energy: -102.786 tors. eta vs tors. theta energy: -200.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2258.745375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.745375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.745375 (E_RNA) where: Base-Base interactions energy: -1552.343 where: short stacking energy: -653.893 Base-Backbone interact. energy: -2.532 local terms energy: -703.869759 where: bonds (distance) C4'-P energy: -137.899 bonds (distance) P-C4' energy: -140.848 flat angles C4'-P-C4' energy: -147.170 flat angles P-C4'-P energy: -87.038 tors. eta vs tors. theta energy: -190.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2218.978411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.978411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.978411 (E_RNA) where: Base-Base interactions energy: -1508.973 where: short stacking energy: -647.510 Base-Backbone interact. energy: -0.973 local terms energy: -709.033244 where: bonds (distance) C4'-P energy: -128.113 bonds (distance) P-C4' energy: -122.050 flat angles C4'-P-C4' energy: -160.765 flat angles P-C4'-P energy: -99.421 tors. eta vs tors. theta energy: -198.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -2059.589741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.589741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.589741 (E_RNA) where: Base-Base interactions energy: -1434.654 where: short stacking energy: -605.506 Base-Backbone interact. energy: -1.414 local terms energy: -623.522002 where: bonds (distance) C4'-P energy: -126.385 bonds (distance) P-C4' energy: -112.304 flat angles C4'-P-C4' energy: -131.404 flat angles P-C4'-P energy: -84.673 tors. eta vs tors. theta energy: -168.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1823.629040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.629040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.629040 (E_RNA) where: Base-Base interactions energy: -1223.881 where: short stacking energy: -572.975 Base-Backbone interact. energy: -4.514 local terms energy: -595.233903 where: bonds (distance) C4'-P energy: -96.430 bonds (distance) P-C4' energy: -121.519 flat angles C4'-P-C4' energy: -133.614 flat angles P-C4'-P energy: -89.695 tors. eta vs tors. theta energy: -153.976 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: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1788.594991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.594991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.594991 (E_RNA) where: Base-Base interactions energy: -1213.388 where: short stacking energy: -514.752 Base-Backbone interact. energy: 2.325 local terms energy: -577.531545 where: bonds (distance) C4'-P energy: -131.390 bonds (distance) P-C4' energy: -106.063 flat angles C4'-P-C4' energy: -136.321 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -130.652 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: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1548.650385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.650385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.650385 (E_RNA) where: Base-Base interactions energy: -1054.720 where: short stacking energy: -464.775 Base-Backbone interact. energy: -0.481 local terms energy: -493.449406 where: bonds (distance) C4'-P energy: -88.657 bonds (distance) P-C4' energy: -115.242 flat angles C4'-P-C4' energy: -116.221 flat angles P-C4'-P energy: -67.157 tors. eta vs tors. theta energy: -106.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1378.852846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.852846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.852846 (E_RNA) where: Base-Base interactions energy: -905.535 where: short stacking energy: -396.274 Base-Backbone interact. energy: 1.468 local terms energy: -474.785912 where: bonds (distance) C4'-P energy: -111.494 bonds (distance) P-C4' energy: -123.321 flat angles C4'-P-C4' energy: -108.853 flat angles P-C4'-P energy: -50.914 tors. eta vs tors. theta energy: -80.203 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: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -1063.749458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.749458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.749458 (E_RNA) where: Base-Base interactions energy: -649.818 where: short stacking energy: -296.881 Base-Backbone interact. energy: 3.020 local terms energy: -416.950978 where: bonds (distance) C4'-P energy: -118.227 bonds (distance) P-C4' energy: -100.380 flat angles C4'-P-C4' energy: -106.044 flat angles P-C4'-P energy: -67.086 tors. eta vs tors. theta energy: -25.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2454.646900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.646900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.646900 (E_RNA) where: Base-Base interactions energy: -1705.029 where: short stacking energy: -712.243 Base-Backbone interact. energy: -0.110 local terms energy: -749.507254 where: bonds (distance) C4'-P energy: -128.934 bonds (distance) P-C4' energy: -142.607 flat angles C4'-P-C4' energy: -158.196 flat angles P-C4'-P energy: -106.057 tors. eta vs tors. theta energy: -213.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2392.974609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.974609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.974609 (E_RNA) where: Base-Base interactions energy: -1669.159 where: short stacking energy: -695.631 Base-Backbone interact. energy: -3.001 local terms energy: -720.814905 where: bonds (distance) C4'-P energy: -125.071 bonds (distance) P-C4' energy: -127.985 flat angles C4'-P-C4' energy: -157.687 flat angles P-C4'-P energy: -98.644 tors. eta vs tors. theta energy: -211.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2280.069271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.069271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.069271 (E_RNA) where: Base-Base interactions energy: -1592.831 where: short stacking energy: -686.165 Base-Backbone interact. energy: -1.331 local terms energy: -685.906574 where: bonds (distance) C4'-P energy: -125.215 bonds (distance) P-C4' energy: -135.112 flat angles C4'-P-C4' energy: -145.967 flat angles P-C4'-P energy: -77.415 tors. eta vs tors. theta energy: -202.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2226.371492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.371492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.371492 (E_RNA) where: Base-Base interactions energy: -1508.022 where: short stacking energy: -661.670 Base-Backbone interact. energy: -1.870 local terms energy: -716.479492 where: bonds (distance) C4'-P energy: -117.038 bonds (distance) P-C4' energy: -133.207 flat angles C4'-P-C4' energy: -154.104 flat angles P-C4'-P energy: -107.989 tors. eta vs tors. theta energy: -204.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2062.373541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.373541 (E_RNA) where: Base-Base interactions energy: -1432.016 where: short stacking energy: -610.397 Base-Backbone interact. energy: -2.085 local terms energy: -628.273262 where: bonds (distance) C4'-P energy: -107.452 bonds (distance) P-C4' energy: -105.871 flat angles C4'-P-C4' energy: -140.365 flat angles P-C4'-P energy: -104.658 tors. eta vs tors. theta energy: -169.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1802.534852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.534852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.534852 (E_RNA) where: Base-Base interactions energy: -1195.249 where: short stacking energy: -526.727 Base-Backbone interact. energy: -2.408 local terms energy: -604.877981 where: bonds (distance) C4'-P energy: -114.080 bonds (distance) P-C4' energy: -117.860 flat angles C4'-P-C4' energy: -136.959 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -149.873 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: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1828.928357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.928357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.928357 (E_RNA) where: Base-Base interactions energy: -1257.282 where: short stacking energy: -519.181 Base-Backbone interact. energy: 0.897 local terms energy: -572.543825 where: bonds (distance) C4'-P energy: -113.814 bonds (distance) P-C4' energy: -109.058 flat angles C4'-P-C4' energy: -133.291 flat angles P-C4'-P energy: -70.620 tors. eta vs tors. theta energy: -145.761 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: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1523.348907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.348907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.348907 (E_RNA) where: Base-Base interactions energy: -1025.547 where: short stacking energy: -445.769 Base-Backbone interact. energy: -3.046 local terms energy: -494.756457 where: bonds (distance) C4'-P energy: -110.817 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -114.053 flat angles P-C4'-P energy: -78.855 tors. eta vs tors. theta energy: -109.921 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: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1330.681839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.681839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.681839 (E_RNA) where: Base-Base interactions energy: -858.913 where: short stacking energy: -379.861 Base-Backbone interact. energy: 3.111 local terms energy: -474.880342 where: bonds (distance) C4'-P energy: -89.072 bonds (distance) P-C4' energy: -113.748 flat angles C4'-P-C4' energy: -119.797 flat angles P-C4'-P energy: -71.889 tors. eta vs tors. theta energy: -80.374 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: 31 Temperature: 1.350000 Total energy: -1224.060895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.060895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.060895 (E_RNA) where: Base-Base interactions energy: -729.406 where: short stacking energy: -321.917 Base-Backbone interact. energy: -4.955 local terms energy: -489.699373 where: bonds (distance) C4'-P energy: -105.540 bonds (distance) P-C4' energy: -100.782 flat angles C4'-P-C4' energy: -135.329 flat angles P-C4'-P energy: -79.859 tors. eta vs tors. theta energy: -68.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2409.914413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.914413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.914413 (E_RNA) where: Base-Base interactions energy: -1663.964 where: short stacking energy: -699.866 Base-Backbone interact. energy: -1.791 local terms energy: -744.159391 where: bonds (distance) C4'-P energy: -137.029 bonds (distance) P-C4' energy: -137.728 flat angles C4'-P-C4' energy: -156.979 flat angles P-C4'-P energy: -104.076 tors. eta vs tors. theta energy: -208.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2381.256987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.256987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.256987 (E_RNA) where: Base-Base interactions energy: -1661.268 where: short stacking energy: -691.532 Base-Backbone interact. energy: -0.462 local terms energy: -719.527228 where: bonds (distance) C4'-P energy: -135.762 bonds (distance) P-C4' energy: -126.411 flat angles C4'-P-C4' energy: -161.251 flat angles P-C4'-P energy: -94.710 tors. eta vs tors. theta energy: -201.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2251.633509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.633509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.633509 (E_RNA) where: Base-Base interactions energy: -1566.889 where: short stacking energy: -639.988 Base-Backbone interact. energy: -1.754 local terms energy: -682.990399 where: bonds (distance) C4'-P energy: -124.580 bonds (distance) P-C4' energy: -131.266 flat angles C4'-P-C4' energy: -142.887 flat angles P-C4'-P energy: -83.897 tors. eta vs tors. theta energy: -200.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2192.588444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.588444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.588444 (E_RNA) where: Base-Base interactions energy: -1505.274 where: short stacking energy: -655.824 Base-Backbone interact. energy: -2.653 local terms energy: -684.661805 where: bonds (distance) C4'-P energy: -104.985 bonds (distance) P-C4' energy: -127.581 flat angles C4'-P-C4' energy: -155.742 flat angles P-C4'-P energy: -110.414 tors. eta vs tors. theta energy: -185.941 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: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2086.688088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.688088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.688088 (E_RNA) where: Base-Base interactions energy: -1463.909 where: short stacking energy: -617.616 Base-Backbone interact. energy: -2.729 local terms energy: -620.049269 where: bonds (distance) C4'-P energy: -117.900 bonds (distance) P-C4' energy: -112.810 flat angles C4'-P-C4' energy: -140.401 flat angles P-C4'-P energy: -88.839 tors. eta vs tors. theta energy: -160.099 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: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1860.791225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.791225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.791225 (E_RNA) where: Base-Base interactions energy: -1279.823 where: short stacking energy: -546.594 Base-Backbone interact. energy: -5.437 local terms energy: -575.531086 where: bonds (distance) C4'-P energy: -108.161 bonds (distance) P-C4' energy: -119.384 flat angles C4'-P-C4' energy: -123.514 flat angles P-C4'-P energy: -79.136 tors. eta vs tors. theta energy: -145.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1918.822491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.822491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.822491 (E_RNA) where: Base-Base interactions energy: -1346.521 where: short stacking energy: -566.292 Base-Backbone interact. energy: -3.259 local terms energy: -569.042426 where: bonds (distance) C4'-P energy: -97.788 bonds (distance) P-C4' energy: -103.915 flat angles C4'-P-C4' energy: -124.531 flat angles P-C4'-P energy: -85.589 tors. eta vs tors. theta energy: -157.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1523.298560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.298560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.298560 (E_RNA) where: Base-Base interactions energy: -1006.821 where: short stacking energy: -416.746 Base-Backbone interact. energy: 0.083 local terms energy: -516.560538 where: bonds (distance) C4'-P energy: -104.784 bonds (distance) P-C4' energy: -124.561 flat angles C4'-P-C4' energy: -124.070 flat angles P-C4'-P energy: -70.994 tors. eta vs tors. theta energy: -92.152 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: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1399.151247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.151247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.151247 (E_RNA) where: Base-Base interactions energy: -962.666 where: short stacking energy: -403.242 Base-Backbone interact. energy: 2.494 local terms energy: -438.978815 where: bonds (distance) C4'-P energy: -102.223 bonds (distance) P-C4' energy: -107.721 flat angles C4'-P-C4' energy: -94.996 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: -72.077 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: 32 Temperature: 1.350000 Total energy: -1064.838017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.838017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.838017 (E_RNA) where: Base-Base interactions energy: -662.963 where: short stacking energy: -284.982 Base-Backbone interact. energy: 1.866 local terms energy: -403.740972 where: bonds (distance) C4'-P energy: -101.397 bonds (distance) P-C4' energy: -121.003 flat angles C4'-P-C4' energy: -100.510 flat angles P-C4'-P energy: -50.673 tors. eta vs tors. theta energy: -30.159 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: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2449.742457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.742457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.742457 (E_RNA) where: Base-Base interactions energy: -1735.781 where: short stacking energy: -716.257 Base-Backbone interact. energy: -0.864 local terms energy: -713.097730 where: bonds (distance) C4'-P energy: -114.308 bonds (distance) P-C4' energy: -135.144 flat angles C4'-P-C4' energy: -152.762 flat angles P-C4'-P energy: -103.270 tors. eta vs tors. theta energy: -207.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2375.800881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.800881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.800881 (E_RNA) where: Base-Base interactions energy: -1655.675 where: short stacking energy: -703.411 Base-Backbone interact. energy: -4.236 local terms energy: -715.890392 where: bonds (distance) C4'-P energy: -124.245 bonds (distance) P-C4' energy: -133.665 flat angles C4'-P-C4' energy: -144.717 flat angles P-C4'-P energy: -100.328 tors. eta vs tors. theta energy: -212.935 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: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2264.969546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.969546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.969546 (E_RNA) where: Base-Base interactions energy: -1564.617 where: short stacking energy: -662.312 Base-Backbone interact. energy: -2.101 local terms energy: -698.251872 where: bonds (distance) C4'-P energy: -139.942 bonds (distance) P-C4' energy: -133.654 flat angles C4'-P-C4' energy: -142.483 flat angles P-C4'-P energy: -93.931 tors. eta vs tors. theta energy: -188.242 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: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2174.576193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.576193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.576193 (E_RNA) where: Base-Base interactions energy: -1516.524 where: short stacking energy: -654.843 Base-Backbone interact. energy: -2.679 local terms energy: -655.373428 where: bonds (distance) C4'-P energy: -112.322 bonds (distance) P-C4' energy: -116.518 flat angles C4'-P-C4' energy: -144.556 flat angles P-C4'-P energy: -95.251 tors. eta vs tors. theta energy: -186.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2028.814597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.814597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.814597 (E_RNA) where: Base-Base interactions energy: -1383.436 where: short stacking energy: -593.480 Base-Backbone interact. energy: 0.231 local terms energy: -645.609210 where: bonds (distance) C4'-P energy: -119.754 bonds (distance) P-C4' energy: -111.181 flat angles C4'-P-C4' energy: -143.282 flat angles P-C4'-P energy: -104.588 tors. eta vs tors. theta energy: -166.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1932.595987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.595987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.595987 (E_RNA) where: Base-Base interactions energy: -1326.339 where: short stacking energy: -560.846 Base-Backbone interact. energy: -3.056 local terms energy: -603.201401 where: bonds (distance) C4'-P energy: -102.856 bonds (distance) P-C4' energy: -129.097 flat angles C4'-P-C4' energy: -142.968 flat angles P-C4'-P energy: -75.267 tors. eta vs tors. theta energy: -153.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1901.617334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.617334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.617334 (E_RNA) where: Base-Base interactions energy: -1326.682 where: short stacking energy: -559.997 Base-Backbone interact. energy: -3.028 local terms energy: -571.906843 where: bonds (distance) C4'-P energy: -112.766 bonds (distance) P-C4' energy: -104.925 flat angles C4'-P-C4' energy: -111.251 flat angles P-C4'-P energy: -95.423 tors. eta vs tors. theta energy: -147.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1456.895441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.895441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.895441 (E_RNA) where: Base-Base interactions energy: -929.121 where: short stacking energy: -427.043 Base-Backbone interact. energy: 3.937 local terms energy: -531.711201 where: bonds (distance) C4'-P energy: -121.175 bonds (distance) P-C4' energy: -107.770 flat angles C4'-P-C4' energy: -116.123 flat angles P-C4'-P energy: -90.716 tors. eta vs tors. theta energy: -95.928 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: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1428.190083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.190083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.190083 (E_RNA) where: Base-Base interactions energy: -940.564 where: short stacking energy: -401.068 Base-Backbone interact. energy: 1.922 local terms energy: -489.548735 where: bonds (distance) C4'-P energy: -93.029 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -124.878 flat angles P-C4'-P energy: -73.547 tors. eta vs tors. theta energy: -83.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1011.751451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.751451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.751451 (E_RNA) where: Base-Base interactions energy: -609.204 where: short stacking energy: -283.736 Base-Backbone interact. energy: 0.213 local terms energy: -402.760228 where: bonds (distance) C4'-P energy: -113.736 bonds (distance) P-C4' energy: -106.825 flat angles C4'-P-C4' energy: -100.061 flat angles P-C4'-P energy: -52.609 tors. eta vs tors. theta energy: -29.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2459.707332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.707332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.707332 (E_RNA) where: Base-Base interactions energy: -1744.982 where: short stacking energy: -691.695 Base-Backbone interact. energy: -1.687 local terms energy: -713.037926 where: bonds (distance) C4'-P energy: -140.016 bonds (distance) P-C4' energy: -130.080 flat angles C4'-P-C4' energy: -147.590 flat angles P-C4'-P energy: -94.954 tors. eta vs tors. theta energy: -200.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2390.949465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.949465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.949465 (E_RNA) where: Base-Base interactions energy: -1654.077 where: short stacking energy: -710.142 Base-Backbone interact. energy: -3.005 local terms energy: -733.867494 where: bonds (distance) C4'-P energy: -128.154 bonds (distance) P-C4' energy: -135.372 flat angles C4'-P-C4' energy: -149.447 flat angles P-C4'-P energy: -114.211 tors. eta vs tors. theta energy: -206.684 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: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2281.383078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.383078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.383078 (E_RNA) where: Base-Base interactions energy: -1588.423 where: short stacking energy: -665.454 Base-Backbone interact. energy: -3.881 local terms energy: -689.079327 where: bonds (distance) C4'-P energy: -128.198 bonds (distance) P-C4' energy: -127.639 flat angles C4'-P-C4' energy: -142.444 flat angles P-C4'-P energy: -88.199 tors. eta vs tors. theta energy: -202.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2142.644500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.644500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.644500 (E_RNA) where: Base-Base interactions energy: -1457.965 where: short stacking energy: -641.907 Base-Backbone interact. energy: -4.121 local terms energy: -680.558073 where: bonds (distance) C4'-P energy: -125.085 bonds (distance) P-C4' energy: -129.254 flat angles C4'-P-C4' energy: -144.218 flat angles P-C4'-P energy: -99.792 tors. eta vs tors. theta energy: -182.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2032.189246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.189246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.189246 (E_RNA) where: Base-Base interactions energy: -1384.191 where: short stacking energy: -606.672 Base-Backbone interact. energy: -1.959 local terms energy: -646.039325 where: bonds (distance) C4'-P energy: -113.520 bonds (distance) P-C4' energy: -121.944 flat angles C4'-P-C4' energy: -147.871 flat angles P-C4'-P energy: -81.094 tors. eta vs tors. theta energy: -181.610 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1938.811212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.811212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.811212 (E_RNA) where: Base-Base interactions energy: -1356.454 where: short stacking energy: -572.005 Base-Backbone interact. energy: -0.813 local terms energy: -581.544675 where: bonds (distance) C4'-P energy: -97.964 bonds (distance) P-C4' energy: -105.010 flat angles C4'-P-C4' energy: -139.404 flat angles P-C4'-P energy: -90.593 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: 7, replica: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1918.005651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.005651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.005651 (E_RNA) where: Base-Base interactions energy: -1299.886 where: short stacking energy: -539.318 Base-Backbone interact. energy: -2.999 local terms energy: -615.120334 where: bonds (distance) C4'-P energy: -118.790 bonds (distance) P-C4' energy: -116.415 flat angles C4'-P-C4' energy: -143.416 flat angles P-C4'-P energy: -87.496 tors. eta vs tors. theta energy: -149.003 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: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1494.835635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.835635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.835635 (E_RNA) where: Base-Base interactions energy: -986.976 where: short stacking energy: -418.398 Base-Backbone interact. energy: 2.538 local terms energy: -510.398386 where: bonds (distance) C4'-P energy: -94.809 bonds (distance) P-C4' energy: -119.044 flat angles C4'-P-C4' energy: -123.424 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: -94.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1597.570306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.570306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.570306 (E_RNA) where: Base-Base interactions energy: -1106.134 where: short stacking energy: -458.486 Base-Backbone interact. energy: -4.495 local terms energy: -486.941442 where: bonds (distance) C4'-P energy: -108.236 bonds (distance) P-C4' energy: -108.838 flat angles C4'-P-C4' energy: -107.485 flat angles P-C4'-P energy: -54.267 tors. eta vs tors. theta energy: -108.115 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: 34 Temperature: 1.350000 Total energy: -1021.712817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.712817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.712817 (E_RNA) where: Base-Base interactions energy: -608.460 where: short stacking energy: -309.450 Base-Backbone interact. energy: 4.259 local terms energy: -417.511920 where: bonds (distance) C4'-P energy: -104.968 bonds (distance) P-C4' energy: -96.349 flat angles C4'-P-C4' energy: -106.808 flat angles P-C4'-P energy: -71.464 tors. eta vs tors. theta energy: -37.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2435.042668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.042668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.042668 (E_RNA) where: Base-Base interactions energy: -1722.057 where: short stacking energy: -705.922 Base-Backbone interact. energy: -3.188 local terms energy: -709.797901 where: bonds (distance) C4'-P energy: -136.324 bonds (distance) P-C4' energy: -124.170 flat angles C4'-P-C4' energy: -149.663 flat angles P-C4'-P energy: -103.309 tors. eta vs tors. theta energy: -196.332 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: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2390.671067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.671067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.671067 (E_RNA) where: Base-Base interactions energy: -1665.917 where: short stacking energy: -725.800 Base-Backbone interact. energy: -2.252 local terms energy: -722.501784 where: bonds (distance) C4'-P energy: -128.280 bonds (distance) P-C4' energy: -137.034 flat angles C4'-P-C4' energy: -146.691 flat angles P-C4'-P energy: -98.915 tors. eta vs tors. theta energy: -211.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2343.094928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.094928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.094928 (E_RNA) where: Base-Base interactions energy: -1661.631 where: short stacking energy: -706.787 Base-Backbone interact. energy: 0.604 local terms energy: -682.068133 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -114.527 flat angles C4'-P-C4' energy: -159.270 flat angles P-C4'-P energy: -92.867 tors. eta vs tors. theta energy: -202.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2160.752380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.752380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.752380 (E_RNA) where: Base-Base interactions energy: -1459.259 where: short stacking energy: -622.752 Base-Backbone interact. energy: -1.848 local terms energy: -699.645978 where: bonds (distance) C4'-P energy: -137.309 bonds (distance) P-C4' energy: -129.538 flat angles C4'-P-C4' energy: -142.450 flat angles P-C4'-P energy: -103.118 tors. eta vs tors. theta energy: -187.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2074.313666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.313666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.313666 (E_RNA) where: Base-Base interactions energy: -1392.472 where: short stacking energy: -605.485 Base-Backbone interact. energy: 0.284 local terms energy: -682.126122 where: bonds (distance) C4'-P energy: -109.332 bonds (distance) P-C4' energy: -138.809 flat angles C4'-P-C4' energy: -149.841 flat angles P-C4'-P energy: -98.475 tors. eta vs tors. theta energy: -185.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2015.583854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.583854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.583854 (E_RNA) where: Base-Base interactions energy: -1417.128 where: short stacking energy: -577.572 Base-Backbone interact. energy: 1.254 local terms energy: -599.709896 where: bonds (distance) C4'-P energy: -107.370 bonds (distance) P-C4' energy: -117.516 flat angles C4'-P-C4' energy: -121.254 flat angles P-C4'-P energy: -111.835 tors. eta vs tors. theta energy: -141.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1728.248435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.248435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.248435 (E_RNA) where: Base-Base interactions energy: -1176.854 where: short stacking energy: -506.261 Base-Backbone interact. energy: -3.554 local terms energy: -547.840015 where: bonds (distance) C4'-P energy: -104.172 bonds (distance) P-C4' energy: -101.587 flat angles C4'-P-C4' energy: -123.518 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -148.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1660.131639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.131639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.131639 (E_RNA) where: Base-Base interactions energy: -1113.398 where: short stacking energy: -498.761 Base-Backbone interact. energy: 0.514 local terms energy: -547.247299 where: bonds (distance) C4'-P energy: -112.691 bonds (distance) P-C4' energy: -126.004 flat angles C4'-P-C4' energy: -127.630 flat angles P-C4'-P energy: -58.853 tors. eta vs tors. theta energy: -122.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1393.695325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.695325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.695325 (E_RNA) where: Base-Base interactions energy: -901.438 where: short stacking energy: -385.736 Base-Backbone interact. energy: -1.857 local terms energy: -490.400685 where: bonds (distance) C4'-P energy: -100.038 bonds (distance) P-C4' energy: -110.193 flat angles C4'-P-C4' energy: -117.389 flat angles P-C4'-P energy: -75.303 tors. eta vs tors. theta energy: -87.477 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: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1033.878689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.878689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.878689 (E_RNA) where: Base-Base interactions energy: -632.933 where: short stacking energy: -278.426 Base-Backbone interact. energy: 2.977 local terms energy: -403.922389 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -110.053 flat angles C4'-P-C4' energy: -88.996 flat angles P-C4'-P energy: -66.182 tors. eta vs tors. theta energy: -31.766 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: 36 Temperature: 0.900000 Total energy: -2459.873695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.873695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.873695 (E_RNA) where: Base-Base interactions energy: -1733.822 where: short stacking energy: -747.196 Base-Backbone interact. energy: 2.986 local terms energy: -729.038026 where: bonds (distance) C4'-P energy: -127.148 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -147.915 flat angles P-C4'-P energy: -108.047 tors. eta vs tors. theta energy: -223.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2397.025322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.025322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.025322 (E_RNA) where: Base-Base interactions energy: -1665.126 where: short stacking energy: -707.701 Base-Backbone interact. energy: -4.990 local terms energy: -726.909870 where: bonds (distance) C4'-P energy: -124.874 bonds (distance) P-C4' energy: -137.448 flat angles C4'-P-C4' energy: -157.217 flat angles P-C4'-P energy: -98.792 tors. eta vs tors. theta energy: -208.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2281.404006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.404006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.404006 (E_RNA) where: Base-Base interactions energy: -1588.217 where: short stacking energy: -667.633 Base-Backbone interact. energy: -2.603 local terms energy: -690.584822 where: bonds (distance) C4'-P energy: -108.547 bonds (distance) P-C4' energy: -130.532 flat angles C4'-P-C4' energy: -151.898 flat angles P-C4'-P energy: -93.986 tors. eta vs tors. theta energy: -205.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2150.206759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.206759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.206759 (E_RNA) where: Base-Base interactions energy: -1482.506 where: short stacking energy: -601.877 Base-Backbone interact. energy: -1.167 local terms energy: -666.532986 where: bonds (distance) C4'-P energy: -121.307 bonds (distance) P-C4' energy: -111.315 flat angles C4'-P-C4' energy: -145.054 flat angles P-C4'-P energy: -105.338 tors. eta vs tors. theta energy: -183.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2094.777617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.777617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.777617 (E_RNA) where: Base-Base interactions energy: -1448.156 where: short stacking energy: -626.686 Base-Backbone interact. energy: 5.802 local terms energy: -652.423757 where: bonds (distance) C4'-P energy: -98.783 bonds (distance) P-C4' energy: -140.601 flat angles C4'-P-C4' energy: -138.685 flat angles P-C4'-P energy: -95.734 tors. eta vs tors. theta energy: -178.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -2070.919675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.919675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.919675 (E_RNA) where: Base-Base interactions energy: -1456.103 where: short stacking energy: -604.731 Base-Backbone interact. energy: 0.511 local terms energy: -615.327718 where: bonds (distance) C4'-P energy: -114.740 bonds (distance) P-C4' energy: -106.584 flat angles C4'-P-C4' energy: -139.995 flat angles P-C4'-P energy: -96.747 tors. eta vs tors. theta energy: -157.261 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: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1701.093594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.093594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.093594 (E_RNA) where: Base-Base interactions energy: -1138.795 where: short stacking energy: -499.047 Base-Backbone interact. energy: -3.430 local terms energy: -558.868886 where: bonds (distance) C4'-P energy: -101.051 bonds (distance) P-C4' energy: -116.081 flat angles C4'-P-C4' energy: -133.162 flat angles P-C4'-P energy: -94.421 tors. eta vs tors. theta energy: -114.154 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: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1610.221229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.221229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.221229 (E_RNA) where: Base-Base interactions energy: -1074.655 where: short stacking energy: -466.004 Base-Backbone interact. energy: 1.303 local terms energy: -536.869148 where: bonds (distance) C4'-P energy: -115.712 bonds (distance) P-C4' energy: -109.337 flat angles C4'-P-C4' energy: -117.067 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -102.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1272.758749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.758749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.758749 (E_RNA) where: Base-Base interactions energy: -803.793 where: short stacking energy: -347.714 Base-Backbone interact. energy: -0.197 local terms energy: -468.769195 where: bonds (distance) C4'-P energy: -123.122 bonds (distance) P-C4' energy: -104.859 flat angles C4'-P-C4' energy: -117.460 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -58.819 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: 36 Temperature: 1.350000 Total energy: -1026.215318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.215318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.215318 (E_RNA) where: Base-Base interactions energy: -615.981 where: short stacking energy: -290.604 Base-Backbone interact. energy: -1.467 local terms energy: -408.766812 where: bonds (distance) C4'-P energy: -107.635 bonds (distance) P-C4' energy: -99.338 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -53.828 tors. eta vs tors. theta energy: -35.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2480.949444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.949444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.949444 (E_RNA) where: Base-Base interactions energy: -1743.414 where: short stacking energy: -746.883 Base-Backbone interact. energy: -1.801 local terms energy: -735.734630 where: bonds (distance) C4'-P energy: -143.895 bonds (distance) P-C4' energy: -129.083 flat angles C4'-P-C4' energy: -148.289 flat angles P-C4'-P energy: -99.262 tors. eta vs tors. theta energy: -215.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2410.868534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.868534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.868534 (E_RNA) where: Base-Base interactions energy: -1698.805 where: short stacking energy: -729.332 Base-Backbone interact. energy: -2.242 local terms energy: -709.821133 where: bonds (distance) C4'-P energy: -118.858 bonds (distance) P-C4' energy: -128.030 flat angles C4'-P-C4' energy: -153.606 flat angles P-C4'-P energy: -98.108 tors. eta vs tors. theta energy: -211.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2258.211255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.211255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.211255 (E_RNA) where: Base-Base interactions energy: -1574.100 where: short stacking energy: -676.132 Base-Backbone interact. energy: -3.583 local terms energy: -680.528485 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -117.681 flat angles C4'-P-C4' energy: -152.780 flat angles P-C4'-P energy: -106.005 tors. eta vs tors. theta energy: -193.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2178.705360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.705360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.705360 (E_RNA) where: Base-Base interactions energy: -1509.341 where: short stacking energy: -655.745 Base-Backbone interact. energy: 2.015 local terms energy: -671.379204 where: bonds (distance) C4'-P energy: -113.226 bonds (distance) P-C4' energy: -125.948 flat angles C4'-P-C4' energy: -148.765 flat angles P-C4'-P energy: -89.673 tors. eta vs tors. theta energy: -193.767 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: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2124.820623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.820623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.820623 (E_RNA) where: Base-Base interactions energy: -1465.428 where: short stacking energy: -631.535 Base-Backbone interact. energy: 0.970 local terms energy: -660.362419 where: bonds (distance) C4'-P energy: -111.288 bonds (distance) P-C4' energy: -116.247 flat angles C4'-P-C4' energy: -144.251 flat angles P-C4'-P energy: -101.643 tors. eta vs tors. theta energy: -186.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -2049.897930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.897930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.897930 (E_RNA) where: Base-Base interactions energy: -1433.706 where: short stacking energy: -594.134 Base-Backbone interact. energy: -1.974 local terms energy: -614.217755 where: bonds (distance) C4'-P energy: -109.432 bonds (distance) P-C4' energy: -109.030 flat angles C4'-P-C4' energy: -141.741 flat angles P-C4'-P energy: -86.401 tors. eta vs tors. theta energy: -167.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1753.437611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.437611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.437611 (E_RNA) where: Base-Base interactions energy: -1227.942 where: short stacking energy: -512.040 Base-Backbone interact. energy: -2.872 local terms energy: -522.623464 where: bonds (distance) C4'-P energy: -104.442 bonds (distance) P-C4' energy: -103.582 flat angles C4'-P-C4' energy: -120.784 flat angles P-C4'-P energy: -74.332 tors. eta vs tors. theta energy: -119.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1630.258292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.258292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.258292 (E_RNA) where: Base-Base interactions energy: -1118.720 where: short stacking energy: -466.827 Base-Backbone interact. energy: -0.402 local terms energy: -511.136784 where: bonds (distance) C4'-P energy: -88.618 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -121.982 flat angles P-C4'-P energy: -67.270 tors. eta vs tors. theta energy: -119.533 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: 37 Temperature: 1.300000 Total energy: -1311.826135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.826135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.826135 (E_RNA) where: Base-Base interactions energy: -847.027 where: short stacking energy: -370.217 Base-Backbone interact. energy: 6.813 local terms energy: -471.612615 where: bonds (distance) C4'-P energy: -110.577 bonds (distance) P-C4' energy: -124.457 flat angles C4'-P-C4' energy: -108.494 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -67.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1034.797652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.797652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.797652 (E_RNA) where: Base-Base interactions energy: -625.828 where: short stacking energy: -281.672 Base-Backbone interact. energy: 2.753 local terms energy: -411.722472 where: bonds (distance) C4'-P energy: -93.428 bonds (distance) P-C4' energy: -113.888 flat angles C4'-P-C4' energy: -111.219 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: -38.674 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: 1 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2447.310044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.310044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.310044 (E_RNA) where: Base-Base interactions energy: -1737.065 where: short stacking energy: -722.671 Base-Backbone interact. energy: -0.678 local terms energy: -709.567144 where: bonds (distance) C4'-P energy: -120.284 bonds (distance) P-C4' energy: -127.568 flat angles C4'-P-C4' energy: -148.384 flat angles P-C4'-P energy: -101.577 tors. eta vs tors. theta energy: -211.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2419.382982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.382982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.382982 (E_RNA) where: Base-Base interactions energy: -1691.540 where: short stacking energy: -723.814 Base-Backbone interact. energy: -1.393 local terms energy: -726.450096 where: bonds (distance) C4'-P energy: -123.667 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -155.864 flat angles P-C4'-P energy: -111.461 tors. eta vs tors. theta energy: -205.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2273.345226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.345226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.345226 (E_RNA) where: Base-Base interactions energy: -1565.903 where: short stacking energy: -648.253 Base-Backbone interact. energy: -2.109 local terms energy: -705.333434 where: bonds (distance) C4'-P energy: -130.341 bonds (distance) P-C4' energy: -115.549 flat angles C4'-P-C4' energy: -157.479 flat angles P-C4'-P energy: -105.549 tors. eta vs tors. theta energy: -196.415 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: 38 Temperature: 1.050000 Total energy: -2137.883747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.883747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.883747 (E_RNA) where: Base-Base interactions energy: -1470.420 where: short stacking energy: -609.989 Base-Backbone interact. energy: -2.713 local terms energy: -664.751188 where: bonds (distance) C4'-P energy: -124.221 bonds (distance) P-C4' energy: -125.685 flat angles C4'-P-C4' energy: -144.498 flat angles P-C4'-P energy: -94.472 tors. eta vs tors. theta energy: -175.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2116.534909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.534909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.534909 (E_RNA) where: Base-Base interactions energy: -1490.198 where: short stacking energy: -641.186 Base-Backbone interact. energy: -0.171 local terms energy: -626.166610 where: bonds (distance) C4'-P energy: -100.395 bonds (distance) P-C4' energy: -105.227 flat angles C4'-P-C4' energy: -132.429 flat angles P-C4'-P energy: -102.755 tors. eta vs tors. theta energy: -185.360 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: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -2021.903118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.903118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.903118 (E_RNA) where: Base-Base interactions energy: -1391.417 where: short stacking energy: -576.736 Base-Backbone interact. energy: -0.751 local terms energy: -629.734575 where: bonds (distance) C4'-P energy: -105.119 bonds (distance) P-C4' energy: -129.983 flat angles C4'-P-C4' energy: -137.625 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -169.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1806.561955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.561955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.561955 (E_RNA) where: Base-Base interactions energy: -1282.376 where: short stacking energy: -535.547 Base-Backbone interact. energy: 1.463 local terms energy: -525.648538 where: bonds (distance) C4'-P energy: -100.620 bonds (distance) P-C4' energy: -104.490 flat angles C4'-P-C4' energy: -112.864 flat angles P-C4'-P energy: -75.187 tors. eta vs tors. theta energy: -132.488 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: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1572.807283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.807283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.807283 (E_RNA) where: Base-Base interactions energy: -1035.590 where: short stacking energy: -468.717 Base-Backbone interact. energy: 2.931 local terms energy: -540.148988 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -105.901 flat angles C4'-P-C4' energy: -117.870 flat angles P-C4'-P energy: -80.541 tors. eta vs tors. theta energy: -120.048 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1343.427961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.427961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.427961 (E_RNA) where: Base-Base interactions energy: -873.005 where: short stacking energy: -399.417 Base-Backbone interact. energy: -2.251 local terms energy: -468.172469 where: bonds (distance) C4'-P energy: -102.751 bonds (distance) P-C4' energy: -101.251 flat angles C4'-P-C4' energy: -117.830 flat angles P-C4'-P energy: -75.146 tors. eta vs tors. theta energy: -71.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1017.272421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.272421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.272421 (E_RNA) where: Base-Base interactions energy: -615.449 where: short stacking energy: -267.463 Base-Backbone interact. energy: 2.248 local terms energy: -404.070945 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -117.571 flat angles C4'-P-C4' energy: -92.792 flat angles P-C4'-P energy: -51.143 tors. eta vs tors. theta energy: -39.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2457.519653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.519653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.519653 (E_RNA) where: Base-Base interactions energy: -1720.270 where: short stacking energy: -704.033 Base-Backbone interact. energy: -0.967 local terms energy: -736.282750 where: bonds (distance) C4'-P energy: -133.851 bonds (distance) P-C4' energy: -138.248 flat angles C4'-P-C4' energy: -157.964 flat angles P-C4'-P energy: -95.038 tors. eta vs tors. theta energy: -211.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2434.947717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.947717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.947717 (E_RNA) where: Base-Base interactions energy: -1706.248 where: short stacking energy: -726.741 Base-Backbone interact. energy: -1.730 local terms energy: -726.968988 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -146.819 flat angles C4'-P-C4' energy: -142.943 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -207.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2236.370024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.370024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.370024 (E_RNA) where: Base-Base interactions energy: -1559.054 where: short stacking energy: -657.044 Base-Backbone interact. energy: -1.777 local terms energy: -675.538800 where: bonds (distance) C4'-P energy: -108.431 bonds (distance) P-C4' energy: -130.610 flat angles C4'-P-C4' energy: -150.556 flat angles P-C4'-P energy: -96.506 tors. eta vs tors. theta energy: -189.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2133.230112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.230112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.230112 (E_RNA) where: Base-Base interactions energy: -1481.218 where: short stacking energy: -623.211 Base-Backbone interact. energy: -3.389 local terms energy: -648.622648 where: bonds (distance) C4'-P energy: -134.802 bonds (distance) P-C4' energy: -116.381 flat angles C4'-P-C4' energy: -134.816 flat angles P-C4'-P energy: -92.242 tors. eta vs tors. theta energy: -170.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2052.183591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.183591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.183591 (E_RNA) where: Base-Base interactions energy: -1445.181 where: short stacking energy: -593.360 Base-Backbone interact. energy: -3.728 local terms energy: -603.274717 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -110.707 flat angles C4'-P-C4' energy: -118.383 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -170.396 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: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -2027.618345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.618345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.618345 (E_RNA) where: Base-Base interactions energy: -1415.160 where: short stacking energy: -610.379 Base-Backbone interact. energy: 4.817 local terms energy: -617.275545 where: bonds (distance) C4'-P energy: -106.696 bonds (distance) P-C4' energy: -113.995 flat angles C4'-P-C4' energy: -147.426 flat angles P-C4'-P energy: -87.256 tors. eta vs tors. theta energy: -161.903 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: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1869.097358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.097358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.097358 (E_RNA) where: Base-Base interactions energy: -1292.613 where: short stacking energy: -535.788 Base-Backbone interact. energy: -3.281 local terms energy: -573.203908 where: bonds (distance) C4'-P energy: -108.034 bonds (distance) P-C4' energy: -123.361 flat angles C4'-P-C4' energy: -143.977 flat angles P-C4'-P energy: -61.325 tors. eta vs tors. theta energy: -136.508 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: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1521.567447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.567447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.567447 (E_RNA) where: Base-Base interactions energy: -980.123 where: short stacking energy: -457.118 Base-Backbone interact. energy: -1.621 local terms energy: -539.823530 where: bonds (distance) C4'-P energy: -111.984 bonds (distance) P-C4' energy: -111.960 flat angles C4'-P-C4' energy: -120.101 flat angles P-C4'-P energy: -77.138 tors. eta vs tors. theta energy: -118.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1314.999996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.999996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.999996 (E_RNA) where: Base-Base interactions energy: -845.671 where: short stacking energy: -373.480 Base-Backbone interact. energy: -0.880 local terms energy: -468.449082 where: bonds (distance) C4'-P energy: -88.953 bonds (distance) P-C4' energy: -103.222 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -74.937 tors. eta vs tors. theta energy: -85.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1040.799754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.799754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.799754 (E_RNA) where: Base-Base interactions energy: -617.278 where: short stacking energy: -297.778 Base-Backbone interact. energy: -2.407 local terms energy: -421.114449 where: bonds (distance) C4'-P energy: -97.052 bonds (distance) P-C4' energy: -118.536 flat angles C4'-P-C4' energy: -102.370 flat angles P-C4'-P energy: -58.755 tors. eta vs tors. theta energy: -44.402 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: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2477.560477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.560477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.560477 (E_RNA) where: Base-Base interactions energy: -1719.610 where: short stacking energy: -741.816 Base-Backbone interact. energy: -4.193 local terms energy: -753.757750 where: bonds (distance) C4'-P energy: -129.796 bonds (distance) P-C4' energy: -137.873 flat angles C4'-P-C4' energy: -153.820 flat angles P-C4'-P energy: -121.808 tors. eta vs tors. theta energy: -210.460 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: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2419.735445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.735445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.735445 (E_RNA) where: Base-Base interactions energy: -1709.643 where: short stacking energy: -705.342 Base-Backbone interact. energy: -3.132 local terms energy: -706.961283 where: bonds (distance) C4'-P energy: -122.013 bonds (distance) P-C4' energy: -119.454 flat angles C4'-P-C4' energy: -150.345 flat angles P-C4'-P energy: -110.605 tors. eta vs tors. theta energy: -204.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2233.766912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.766912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.766912 (E_RNA) where: Base-Base interactions energy: -1531.258 where: short stacking energy: -653.856 Base-Backbone interact. energy: -0.834 local terms energy: -701.674518 where: bonds (distance) C4'-P energy: -121.832 bonds (distance) P-C4' energy: -125.491 flat angles C4'-P-C4' energy: -149.998 flat angles P-C4'-P energy: -99.870 tors. eta vs tors. theta energy: -204.484 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: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2129.193785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.193785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.193785 (E_RNA) where: Base-Base interactions energy: -1479.539 where: short stacking energy: -627.920 Base-Backbone interact. energy: -0.100 local terms energy: -649.555058 where: bonds (distance) C4'-P energy: -113.832 bonds (distance) P-C4' energy: -129.731 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -88.569 tors. eta vs tors. theta energy: -172.331 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: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2086.810953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.810953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.810953 (E_RNA) where: Base-Base interactions energy: -1476.636 where: short stacking energy: -627.824 Base-Backbone interact. energy: 3.599 local terms energy: -613.773855 where: bonds (distance) C4'-P energy: -109.688 bonds (distance) P-C4' energy: -120.297 flat angles C4'-P-C4' energy: -135.293 flat angles P-C4'-P energy: -79.381 tors. eta vs tors. theta energy: -169.116 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: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1992.596797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.596797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.596797 (E_RNA) where: Base-Base interactions energy: -1387.178 where: short stacking energy: -604.004 Base-Backbone interact. energy: -0.838 local terms energy: -604.581481 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -96.863 flat angles C4'-P-C4' energy: -127.000 flat angles P-C4'-P energy: -92.086 tors. eta vs tors. theta energy: -170.854 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: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1879.843702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.843702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.843702 (E_RNA) where: Base-Base interactions energy: -1298.444 where: short stacking energy: -545.799 Base-Backbone interact. energy: -5.739 local terms energy: -575.660657 where: bonds (distance) C4'-P energy: -106.495 bonds (distance) P-C4' energy: -109.537 flat angles C4'-P-C4' energy: -126.295 flat angles P-C4'-P energy: -91.730 tors. eta vs tors. theta energy: -141.604 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: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1538.296244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.296244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.296244 (E_RNA) where: Base-Base interactions energy: -1019.772 where: short stacking energy: -476.519 Base-Backbone interact. energy: -2.573 local terms energy: -515.950936 where: bonds (distance) C4'-P energy: -109.533 bonds (distance) P-C4' energy: -108.577 flat angles C4'-P-C4' energy: -123.480 flat angles P-C4'-P energy: -53.165 tors. eta vs tors. theta energy: -121.196 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: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1373.389226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.389226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.389226 (E_RNA) where: Base-Base interactions energy: -894.455 where: short stacking energy: -393.766 Base-Backbone interact. energy: -0.304 local terms energy: -478.629607 where: bonds (distance) C4'-P energy: -96.319 bonds (distance) P-C4' energy: -116.966 flat angles C4'-P-C4' energy: -118.535 flat angles P-C4'-P energy: -69.983 tors. eta vs tors. theta energy: -76.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1074.592880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.592880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.592880 (E_RNA) where: Base-Base interactions energy: -683.277 where: short stacking energy: -312.560 Base-Backbone interact. energy: -2.819 local terms energy: -388.496664 where: bonds (distance) C4'-P energy: -101.905 bonds (distance) P-C4' energy: -104.625 flat angles C4'-P-C4' energy: -95.476 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: -35.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2437.224178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.224178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.224178 (E_RNA) where: Base-Base interactions energy: -1677.028 where: short stacking energy: -710.014 Base-Backbone interact. energy: -2.289 local terms energy: -757.907487 where: bonds (distance) C4'-P energy: -134.588 bonds (distance) P-C4' energy: -149.199 flat angles C4'-P-C4' energy: -143.932 flat angles P-C4'-P energy: -121.862 tors. eta vs tors. theta energy: -208.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2389.401895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.401895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.401895 (E_RNA) where: Base-Base interactions energy: -1664.917 where: short stacking energy: -679.438 Base-Backbone interact. energy: -2.308 local terms energy: -722.177088 where: bonds (distance) C4'-P energy: -130.785 bonds (distance) P-C4' energy: -131.134 flat angles C4'-P-C4' energy: -150.293 flat angles P-C4'-P energy: -102.804 tors. eta vs tors. theta energy: -207.161 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: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2262.832642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.832642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.832642 (E_RNA) where: Base-Base interactions energy: -1563.116 where: short stacking energy: -669.056 Base-Backbone interact. energy: -2.343 local terms energy: -697.373719 where: bonds (distance) C4'-P energy: -131.044 bonds (distance) P-C4' energy: -111.963 flat angles C4'-P-C4' energy: -141.624 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -205.524 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: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2165.728475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.728475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.728475 (E_RNA) where: Base-Base interactions energy: -1493.522 where: short stacking energy: -658.489 Base-Backbone interact. energy: -2.289 local terms energy: -669.918090 where: bonds (distance) C4'-P energy: -115.581 bonds (distance) P-C4' energy: -122.594 flat angles C4'-P-C4' energy: -143.722 flat angles P-C4'-P energy: -96.718 tors. eta vs tors. theta energy: -191.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2063.213194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.213194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.213194 (E_RNA) where: Base-Base interactions energy: -1447.220 where: short stacking energy: -600.709 Base-Backbone interact. energy: 3.075 local terms energy: -619.068387 where: bonds (distance) C4'-P energy: -113.178 bonds (distance) P-C4' energy: -116.264 flat angles C4'-P-C4' energy: -134.200 flat angles P-C4'-P energy: -95.521 tors. eta vs tors. theta energy: -159.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2079.789879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.789879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.789879 (E_RNA) where: Base-Base interactions energy: -1465.394 where: short stacking energy: -600.305 Base-Backbone interact. energy: -5.035 local terms energy: -609.361008 where: bonds (distance) C4'-P energy: -121.456 bonds (distance) P-C4' energy: -116.656 flat angles C4'-P-C4' energy: -127.270 flat angles P-C4'-P energy: -86.029 tors. eta vs tors. theta energy: -157.949 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: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1939.328242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.328242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.328242 (E_RNA) where: Base-Base interactions energy: -1350.487 where: short stacking energy: -566.452 Base-Backbone interact. energy: -4.783 local terms energy: -584.057684 where: bonds (distance) C4'-P energy: -124.269 bonds (distance) P-C4' energy: -92.519 flat angles C4'-P-C4' energy: -137.599 flat angles P-C4'-P energy: -80.219 tors. eta vs tors. theta energy: -149.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1440.082003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.082003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.082003 (E_RNA) where: Base-Base interactions energy: -959.181 where: short stacking energy: -436.913 Base-Backbone interact. energy: -3.170 local terms energy: -477.731031 where: bonds (distance) C4'-P energy: -103.817 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -97.166 flat angles P-C4'-P energy: -78.087 tors. eta vs tors. theta energy: -87.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1249.208837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.208837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.208837 (E_RNA) where: Base-Base interactions energy: -795.166 where: short stacking energy: -339.880 Base-Backbone interact. energy: 3.287 local terms energy: -457.329179 where: bonds (distance) C4'-P energy: -124.586 bonds (distance) P-C4' energy: -93.148 flat angles C4'-P-C4' energy: -95.956 flat angles P-C4'-P energy: -72.692 tors. eta vs tors. theta energy: -70.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1089.087617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.087617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.087617 (E_RNA) where: Base-Base interactions energy: -656.734 where: short stacking energy: -284.472 Base-Backbone interact. energy: 1.996 local terms energy: -434.350202 where: bonds (distance) C4'-P energy: -103.664 bonds (distance) P-C4' energy: -112.510 flat angles C4'-P-C4' energy: -97.888 flat angles P-C4'-P energy: -76.914 tors. eta vs tors. theta energy: -43.375 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: 1, replica: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2432.027786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.027786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.027786 (E_RNA) where: Base-Base interactions energy: -1717.017 where: short stacking energy: -719.110 Base-Backbone interact. energy: -0.809 local terms energy: -714.201666 where: bonds (distance) C4'-P energy: -121.758 bonds (distance) P-C4' energy: -131.099 flat angles C4'-P-C4' energy: -151.281 flat angles P-C4'-P energy: -97.667 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: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2367.382249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.382249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.382249 (E_RNA) where: Base-Base interactions energy: -1665.064 where: short stacking energy: -703.924 Base-Backbone interact. energy: -2.438 local terms energy: -699.879893 where: bonds (distance) C4'-P energy: -128.630 bonds (distance) P-C4' energy: -119.108 flat angles C4'-P-C4' energy: -145.796 flat angles P-C4'-P energy: -102.823 tors. eta vs tors. theta energy: -203.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2271.395485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.395485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.395485 (E_RNA) where: Base-Base interactions energy: -1567.955 where: short stacking energy: -680.208 Base-Backbone interact. energy: 0.991 local terms energy: -704.431732 where: bonds (distance) C4'-P energy: -111.318 bonds (distance) P-C4' energy: -130.528 flat angles C4'-P-C4' energy: -143.881 flat angles P-C4'-P energy: -107.162 tors. eta vs tors. theta energy: -211.542 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: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2186.318290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.318290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.318290 (E_RNA) where: Base-Base interactions energy: -1511.113 where: short stacking energy: -646.378 Base-Backbone interact. energy: -2.422 local terms energy: -672.783508 where: bonds (distance) C4'-P energy: -119.174 bonds (distance) P-C4' energy: -113.814 flat angles C4'-P-C4' energy: -142.458 flat angles P-C4'-P energy: -101.762 tors. eta vs tors. theta energy: -195.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2055.111495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.111495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.111495 (E_RNA) where: Base-Base interactions energy: -1412.464 where: short stacking energy: -599.981 Base-Backbone interact. energy: 1.895 local terms energy: -644.542546 where: bonds (distance) C4'-P energy: -126.044 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -131.172 flat angles P-C4'-P energy: -93.338 tors. eta vs tors. theta energy: -168.935 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2081.988173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.988173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.988173 (E_RNA) where: Base-Base interactions energy: -1479.102 where: short stacking energy: -607.935 Base-Backbone interact. energy: -4.944 local terms energy: -597.942204 where: bonds (distance) C4'-P energy: -104.696 bonds (distance) P-C4' energy: -114.806 flat angles C4'-P-C4' energy: -133.332 flat angles P-C4'-P energy: -73.665 tors. eta vs tors. theta energy: -171.444 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: 5 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1882.146196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.146196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.146196 (E_RNA) where: Base-Base interactions energy: -1301.171 where: short stacking energy: -550.388 Base-Backbone interact. energy: -0.730 local terms energy: -580.245928 where: bonds (distance) C4'-P energy: -105.700 bonds (distance) P-C4' energy: -102.511 flat angles C4'-P-C4' energy: -134.333 flat angles P-C4'-P energy: -79.024 tors. eta vs tors. theta energy: -158.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1477.581569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.581569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.581569 (E_RNA) where: Base-Base interactions energy: -952.198 where: short stacking energy: -429.308 Base-Backbone interact. energy: -1.121 local terms energy: -524.262880 where: bonds (distance) C4'-P energy: -93.531 bonds (distance) P-C4' energy: -112.604 flat angles C4'-P-C4' energy: -122.158 flat angles P-C4'-P energy: -81.582 tors. eta vs tors. theta energy: -114.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1313.924849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.924849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.924849 (E_RNA) where: Base-Base interactions energy: -856.061 where: short stacking energy: -367.703 Base-Backbone interact. energy: 1.009 local terms energy: -458.872592 where: bonds (distance) C4'-P energy: -102.811 bonds (distance) P-C4' energy: -98.644 flat angles C4'-P-C4' energy: -102.829 flat angles P-C4'-P energy: -78.850 tors. eta vs tors. theta energy: -75.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1032.379809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.379809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.379809 (E_RNA) where: Base-Base interactions energy: -631.851 where: short stacking energy: -300.908 Base-Backbone interact. energy: 1.310 local terms energy: -401.838075 where: bonds (distance) C4'-P energy: -112.626 bonds (distance) P-C4' energy: -111.333 flat angles C4'-P-C4' energy: -100.908 flat angles P-C4'-P energy: -41.622 tors. eta vs tors. theta energy: -35.349 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: 1 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2436.928156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.928156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.928156 (E_RNA) where: Base-Base interactions energy: -1706.884 where: short stacking energy: -718.244 Base-Backbone interact. energy: -2.647 local terms energy: -727.397394 where: bonds (distance) C4'-P energy: -123.646 bonds (distance) P-C4' energy: -141.558 flat angles C4'-P-C4' energy: -157.784 flat angles P-C4'-P energy: -88.203 tors. eta vs tors. theta energy: -216.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2408.969943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.969943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.969943 (E_RNA) where: Base-Base interactions energy: -1690.791 where: short stacking energy: -712.597 Base-Backbone interact. energy: -3.686 local terms energy: -714.493305 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -117.477 flat angles C4'-P-C4' energy: -146.448 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -210.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2286.877513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.877513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.877513 (E_RNA) where: Base-Base interactions energy: -1579.648 where: short stacking energy: -688.016 Base-Backbone interact. energy: -2.270 local terms energy: -704.959518 where: bonds (distance) C4'-P energy: -128.760 bonds (distance) P-C4' energy: -122.695 flat angles C4'-P-C4' energy: -155.383 flat angles P-C4'-P energy: -94.968 tors. eta vs tors. theta energy: -203.154 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: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2185.677117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.677117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.677117 (E_RNA) where: Base-Base interactions energy: -1477.158 where: short stacking energy: -652.214 Base-Backbone interact. energy: -1.358 local terms energy: -707.161218 where: bonds (distance) C4'-P energy: -134.356 bonds (distance) P-C4' energy: -139.995 flat angles C4'-P-C4' energy: -143.114 flat angles P-C4'-P energy: -98.558 tors. eta vs tors. theta energy: -191.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2091.262178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.262178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.262178 (E_RNA) where: Base-Base interactions energy: -1473.745 where: short stacking energy: -625.796 Base-Backbone interact. energy: -0.843 local terms energy: -616.673703 where: bonds (distance) C4'-P energy: -102.595 bonds (distance) P-C4' energy: -122.182 flat angles C4'-P-C4' energy: -134.489 flat angles P-C4'-P energy: -93.285 tors. eta vs tors. theta energy: -164.123 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: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2058.564374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.564374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.564374 (E_RNA) where: Base-Base interactions energy: -1467.248 where: short stacking energy: -598.033 Base-Backbone interact. energy: -1.066 local terms energy: -590.250211 where: bonds (distance) C4'-P energy: -91.907 bonds (distance) P-C4' energy: -106.908 flat angles C4'-P-C4' energy: -133.164 flat angles P-C4'-P energy: -98.283 tors. eta vs tors. theta energy: -159.988 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: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1914.112025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.112025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.112025 (E_RNA) where: Base-Base interactions energy: -1318.441 where: short stacking energy: -547.183 Base-Backbone interact. energy: 2.684 local terms energy: -598.354715 where: bonds (distance) C4'-P energy: -112.237 bonds (distance) P-C4' energy: -95.802 flat angles C4'-P-C4' energy: -135.048 flat angles P-C4'-P energy: -97.089 tors. eta vs tors. theta energy: -158.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1442.445312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.445312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.445312 (E_RNA) where: Base-Base interactions energy: -938.075 where: short stacking energy: -408.417 Base-Backbone interact. energy: -0.868 local terms energy: -503.502332 where: bonds (distance) C4'-P energy: -120.208 bonds (distance) P-C4' energy: -109.949 flat angles C4'-P-C4' energy: -104.291 flat angles P-C4'-P energy: -78.555 tors. eta vs tors. theta energy: -90.500 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: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1301.740367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.740367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.740367 (E_RNA) where: Base-Base interactions energy: -882.298 where: short stacking energy: -393.178 Base-Backbone interact. energy: 3.276 local terms energy: -422.718075 where: bonds (distance) C4'-P energy: -96.429 bonds (distance) P-C4' energy: -87.280 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -60.375 tors. eta vs tors. theta energy: -68.414 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: 43 Temperature: 1.350000 Total energy: -1056.158468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.158468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.158468 (E_RNA) where: Base-Base interactions energy: -637.061 where: short stacking energy: -288.285 Base-Backbone interact. energy: -2.645 local terms energy: -416.452572 where: bonds (distance) C4'-P energy: -111.293 bonds (distance) P-C4' energy: -106.170 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -55.568 tors. eta vs tors. theta energy: -28.745 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: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2454.426850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.426850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.426850 (E_RNA) where: Base-Base interactions energy: -1705.678 where: short stacking energy: -713.419 Base-Backbone interact. energy: -1.543 local terms energy: -747.205724 where: bonds (distance) C4'-P energy: -133.875 bonds (distance) P-C4' energy: -138.743 flat angles C4'-P-C4' energy: -165.285 flat angles P-C4'-P energy: -109.223 tors. eta vs tors. theta energy: -200.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2413.456807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.456807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.456807 (E_RNA) where: Base-Base interactions energy: -1713.065 where: short stacking energy: -723.161 Base-Backbone interact. energy: -2.057 local terms energy: -698.335622 where: bonds (distance) C4'-P energy: -125.102 bonds (distance) P-C4' energy: -109.155 flat angles C4'-P-C4' energy: -147.215 flat angles P-C4'-P energy: -99.816 tors. eta vs tors. theta energy: -217.047 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: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2263.140018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.140018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.140018 (E_RNA) where: Base-Base interactions energy: -1559.388 where: short stacking energy: -674.235 Base-Backbone interact. energy: -4.168 local terms energy: -699.583375 where: bonds (distance) C4'-P energy: -126.380 bonds (distance) P-C4' energy: -128.816 flat angles C4'-P-C4' energy: -148.797 flat angles P-C4'-P energy: -91.863 tors. eta vs tors. theta energy: -203.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2147.393890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.393890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.393890 (E_RNA) where: Base-Base interactions energy: -1481.885 where: short stacking energy: -641.082 Base-Backbone interact. energy: 6.571 local terms energy: -672.079709 where: bonds (distance) C4'-P energy: -136.657 bonds (distance) P-C4' energy: -117.583 flat angles C4'-P-C4' energy: -145.818 flat angles P-C4'-P energy: -98.281 tors. eta vs tors. theta energy: -173.740 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: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2138.402751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.402751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.402751 (E_RNA) where: Base-Base interactions energy: -1499.707 where: short stacking energy: -620.914 Base-Backbone interact. energy: -1.080 local terms energy: -637.615940 where: bonds (distance) C4'-P energy: -132.528 bonds (distance) P-C4' energy: -109.563 flat angles C4'-P-C4' energy: -140.466 flat angles P-C4'-P energy: -91.410 tors. eta vs tors. theta energy: -163.650 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: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2038.196907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.196907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.196907 (E_RNA) where: Base-Base interactions energy: -1432.739 where: short stacking energy: -604.468 Base-Backbone interact. energy: -1.724 local terms energy: -603.734682 where: bonds (distance) C4'-P energy: -113.496 bonds (distance) P-C4' energy: -115.222 flat angles C4'-P-C4' energy: -132.221 flat angles P-C4'-P energy: -93.061 tors. eta vs tors. theta energy: -149.734 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: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1854.674299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.674299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.674299 (E_RNA) where: Base-Base interactions energy: -1255.031 where: short stacking energy: -525.628 Base-Backbone interact. energy: -1.074 local terms energy: -598.569326 where: bonds (distance) C4'-P energy: -106.132 bonds (distance) P-C4' energy: -120.734 flat angles C4'-P-C4' energy: -128.711 flat angles P-C4'-P energy: -90.815 tors. eta vs tors. theta energy: -152.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1451.061764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.061764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.061764 (E_RNA) where: Base-Base interactions energy: -983.360 where: short stacking energy: -416.058 Base-Backbone interact. energy: 6.395 local terms energy: -474.096440 where: bonds (distance) C4'-P energy: -99.049 bonds (distance) P-C4' energy: -101.713 flat angles C4'-P-C4' energy: -110.222 flat angles P-C4'-P energy: -67.598 tors. eta vs tors. theta energy: -95.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1267.875458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.875458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.875458 (E_RNA) where: Base-Base interactions energy: -802.603 where: short stacking energy: -371.186 Base-Backbone interact. energy: 0.804 local terms energy: -466.076488 where: bonds (distance) C4'-P energy: -113.724 bonds (distance) P-C4' energy: -100.674 flat angles C4'-P-C4' energy: -104.743 flat angles P-C4'-P energy: -69.061 tors. eta vs tors. theta energy: -77.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1063.815073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.815073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.815073 (E_RNA) where: Base-Base interactions energy: -663.856 where: short stacking energy: -314.369 Base-Backbone interact. energy: 4.368 local terms energy: -404.327262 where: bonds (distance) C4'-P energy: -89.246 bonds (distance) P-C4' energy: -118.542 flat angles C4'-P-C4' energy: -78.831 flat angles P-C4'-P energy: -65.678 tors. eta vs tors. theta energy: -52.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2455.714092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.714092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.714092 (E_RNA) where: Base-Base interactions energy: -1720.769 where: short stacking energy: -734.525 Base-Backbone interact. energy: -3.618 local terms energy: -731.327795 where: bonds (distance) C4'-P energy: -141.385 bonds (distance) P-C4' energy: -129.537 flat angles C4'-P-C4' energy: -146.679 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -211.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2393.449404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.449404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.449404 (E_RNA) where: Base-Base interactions energy: -1688.905 where: short stacking energy: -705.785 Base-Backbone interact. energy: 1.356 local terms energy: -705.900386 where: bonds (distance) C4'-P energy: -123.699 bonds (distance) P-C4' energy: -139.954 flat angles C4'-P-C4' energy: -150.363 flat angles P-C4'-P energy: -96.166 tors. eta vs tors. theta energy: -195.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2270.727132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.727132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.727132 (E_RNA) where: Base-Base interactions energy: -1586.900 where: short stacking energy: -685.683 Base-Backbone interact. energy: -3.487 local terms energy: -680.339797 where: bonds (distance) C4'-P energy: -127.850 bonds (distance) P-C4' energy: -102.160 flat angles C4'-P-C4' energy: -151.682 flat angles P-C4'-P energy: -107.614 tors. eta vs tors. theta energy: -191.034 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: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2174.676742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.676742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.676742 (E_RNA) where: Base-Base interactions energy: -1531.970 where: short stacking energy: -651.379 Base-Backbone interact. energy: 1.661 local terms energy: -644.366957 where: bonds (distance) C4'-P energy: -124.018 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -132.813 flat angles P-C4'-P energy: -78.351 tors. eta vs tors. theta energy: -191.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2152.752177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.752177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.752177 (E_RNA) where: Base-Base interactions energy: -1506.794 where: short stacking energy: -632.026 Base-Backbone interact. energy: -2.699 local terms energy: -643.258553 where: bonds (distance) C4'-P energy: -125.076 bonds (distance) P-C4' energy: -111.169 flat angles C4'-P-C4' energy: -145.238 flat angles P-C4'-P energy: -94.902 tors. eta vs tors. theta energy: -166.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2050.289798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.289798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.289798 (E_RNA) where: Base-Base interactions energy: -1416.992 where: short stacking energy: -595.358 Base-Backbone interact. energy: 2.358 local terms energy: -635.655734 where: bonds (distance) C4'-P energy: -117.108 bonds (distance) P-C4' energy: -127.505 flat angles C4'-P-C4' energy: -137.684 flat angles P-C4'-P energy: -87.700 tors. eta vs tors. theta energy: -165.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1832.432594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.432594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.432594 (E_RNA) where: Base-Base interactions energy: -1258.691 where: short stacking energy: -536.458 Base-Backbone interact. energy: -2.251 local terms energy: -571.490877 where: bonds (distance) C4'-P energy: -111.903 bonds (distance) P-C4' energy: -121.504 flat angles C4'-P-C4' energy: -120.007 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: -128.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1498.181073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.181073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.181073 (E_RNA) where: Base-Base interactions energy: -961.423 where: short stacking energy: -408.067 Base-Backbone interact. energy: 2.670 local terms energy: -539.428341 where: bonds (distance) C4'-P energy: -105.644 bonds (distance) P-C4' energy: -128.973 flat angles C4'-P-C4' energy: -115.932 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -109.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1231.139190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.139190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.139190 (E_RNA) where: Base-Base interactions energy: -769.553 where: short stacking energy: -353.246 Base-Backbone interact. energy: 0.897 local terms energy: -462.483402 where: bonds (distance) C4'-P energy: -114.581 bonds (distance) P-C4' energy: -103.322 flat angles C4'-P-C4' energy: -104.003 flat angles P-C4'-P energy: -57.216 tors. eta vs tors. theta energy: -83.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1052.855736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.855736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.855736 (E_RNA) where: Base-Base interactions energy: -610.184 where: short stacking energy: -298.064 Base-Backbone interact. energy: -0.435 local terms energy: -442.237424 where: bonds (distance) C4'-P energy: -98.025 bonds (distance) P-C4' energy: -99.905 flat angles C4'-P-C4' energy: -113.593 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -66.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2474.213396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.213396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.213396 (E_RNA) where: Base-Base interactions energy: -1750.593 where: short stacking energy: -739.611 Base-Backbone interact. energy: 0.292 local terms energy: -723.913358 where: bonds (distance) C4'-P energy: -128.738 bonds (distance) P-C4' energy: -139.100 flat angles C4'-P-C4' energy: -149.275 flat angles P-C4'-P energy: -98.753 tors. eta vs tors. theta energy: -208.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2421.108693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.108693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.108693 (E_RNA) where: Base-Base interactions energy: -1714.603 where: short stacking energy: -741.136 Base-Backbone interact. energy: -3.562 local terms energy: -702.943760 where: bonds (distance) C4'-P energy: -116.092 bonds (distance) P-C4' energy: -135.606 flat angles C4'-P-C4' energy: -150.581 flat angles P-C4'-P energy: -90.004 tors. eta vs tors. theta energy: -210.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2269.757929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.757929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.757929 (E_RNA) where: Base-Base interactions energy: -1561.595 where: short stacking energy: -678.410 Base-Backbone interact. energy: -0.887 local terms energy: -707.276165 where: bonds (distance) C4'-P energy: -122.567 bonds (distance) P-C4' energy: -144.283 flat angles C4'-P-C4' energy: -142.421 flat angles P-C4'-P energy: -100.089 tors. eta vs tors. theta energy: -197.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2171.156334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.156334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.156334 (E_RNA) where: Base-Base interactions energy: -1490.235 where: short stacking energy: -645.049 Base-Backbone interact. energy: 0.265 local terms energy: -681.186589 where: bonds (distance) C4'-P energy: -128.422 bonds (distance) P-C4' energy: -125.464 flat angles C4'-P-C4' energy: -146.562 flat angles P-C4'-P energy: -103.157 tors. eta vs tors. theta energy: -177.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2156.151729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.151729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.151729 (E_RNA) where: Base-Base interactions energy: -1530.709 where: short stacking energy: -600.713 Base-Backbone interact. energy: -0.142 local terms energy: -625.300669 where: bonds (distance) C4'-P energy: -121.743 bonds (distance) P-C4' energy: -121.397 flat angles C4'-P-C4' energy: -132.958 flat angles P-C4'-P energy: -90.964 tors. eta vs tors. theta energy: -158.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2148.380009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.380009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.380009 (E_RNA) where: Base-Base interactions energy: -1519.788 where: short stacking energy: -617.826 Base-Backbone interact. energy: -2.354 local terms energy: -626.237713 where: bonds (distance) C4'-P energy: -115.777 bonds (distance) P-C4' energy: -117.235 flat angles C4'-P-C4' energy: -141.151 flat angles P-C4'-P energy: -73.249 tors. eta vs tors. theta energy: -178.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1781.591364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.591364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.591364 (E_RNA) where: Base-Base interactions energy: -1204.555 where: short stacking energy: -517.430 Base-Backbone interact. energy: -1.912 local terms energy: -575.124129 where: bonds (distance) C4'-P energy: -118.587 bonds (distance) P-C4' energy: -105.562 flat angles C4'-P-C4' energy: -129.468 flat angles P-C4'-P energy: -88.491 tors. eta vs tors. theta energy: -133.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1503.002969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.002969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.002969 (E_RNA) where: Base-Base interactions energy: -969.276 where: short stacking energy: -413.579 Base-Backbone interact. energy: -0.495 local terms energy: -533.231461 where: bonds (distance) C4'-P energy: -121.120 bonds (distance) P-C4' energy: -111.302 flat angles C4'-P-C4' energy: -133.165 flat angles P-C4'-P energy: -77.079 tors. eta vs tors. theta energy: -90.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1213.097775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.097775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.097775 (E_RNA) where: Base-Base interactions energy: -809.953 where: short stacking energy: -360.059 Base-Backbone interact. energy: -0.017 local terms energy: -403.128141 where: bonds (distance) C4'-P energy: -94.626 bonds (distance) P-C4' energy: -89.702 flat angles C4'-P-C4' energy: -105.587 flat angles P-C4'-P energy: -67.356 tors. eta vs tors. theta energy: -45.856 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: 46 Temperature: 1.350000 Total energy: -1029.232962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.232962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.232962 (E_RNA) where: Base-Base interactions energy: -607.566 where: short stacking energy: -295.014 Base-Backbone interact. energy: -1.082 local terms energy: -420.584346 where: bonds (distance) C4'-P energy: -86.699 bonds (distance) P-C4' energy: -115.713 flat angles C4'-P-C4' energy: -106.642 flat angles P-C4'-P energy: -69.104 tors. eta vs tors. theta energy: -42.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2477.451493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.451493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.451493 (E_RNA) where: Base-Base interactions energy: -1724.072 where: short stacking energy: -719.616 Base-Backbone interact. energy: -3.865 local terms energy: -749.514192 where: bonds (distance) C4'-P energy: -137.389 bonds (distance) P-C4' energy: -141.874 flat angles C4'-P-C4' energy: -160.451 flat angles P-C4'-P energy: -98.374 tors. eta vs tors. theta energy: -211.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2399.246585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.246585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.246585 (E_RNA) where: Base-Base interactions energy: -1680.416 where: short stacking energy: -714.753 Base-Backbone interact. energy: -3.193 local terms energy: -715.636912 where: bonds (distance) C4'-P energy: -127.713 bonds (distance) P-C4' energy: -124.710 flat angles C4'-P-C4' energy: -154.608 flat angles P-C4'-P energy: -101.229 tors. eta vs tors. theta energy: -207.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2225.160766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.160766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.160766 (E_RNA) where: Base-Base interactions energy: -1525.021 where: short stacking energy: -666.195 Base-Backbone interact. energy: -4.741 local terms energy: -695.398491 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -135.447 flat angles C4'-P-C4' energy: -144.781 flat angles P-C4'-P energy: -101.969 tors. eta vs tors. theta energy: -203.414 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: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2192.977988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.977988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.977988 (E_RNA) where: Base-Base interactions energy: -1549.307 where: short stacking energy: -663.282 Base-Backbone interact. energy: -2.635 local terms energy: -641.035740 where: bonds (distance) C4'-P energy: -117.343 bonds (distance) P-C4' energy: -118.556 flat angles C4'-P-C4' energy: -144.855 flat angles P-C4'-P energy: -79.772 tors. eta vs tors. theta energy: -180.510 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: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2126.316575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.316575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.316575 (E_RNA) where: Base-Base interactions energy: -1506.147 where: short stacking energy: -611.810 Base-Backbone interact. energy: -0.023 local terms energy: -620.145696 where: bonds (distance) C4'-P energy: -106.636 bonds (distance) P-C4' energy: -118.307 flat angles C4'-P-C4' energy: -138.400 flat angles P-C4'-P energy: -98.359 tors. eta vs tors. theta energy: -158.443 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: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2168.324700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.324700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.324700 (E_RNA) where: Base-Base interactions energy: -1516.575 where: short stacking energy: -625.341 Base-Backbone interact. energy: -1.716 local terms energy: -650.033866 where: bonds (distance) C4'-P energy: -122.912 bonds (distance) P-C4' energy: -108.604 flat angles C4'-P-C4' energy: -138.107 flat angles P-C4'-P energy: -88.097 tors. eta vs tors. theta energy: -192.314 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: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1697.629958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.629958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.629958 (E_RNA) where: Base-Base interactions energy: -1155.972 where: short stacking energy: -505.090 Base-Backbone interact. energy: -1.369 local terms energy: -540.288287 where: bonds (distance) C4'-P energy: -104.235 bonds (distance) P-C4' energy: -121.169 flat angles C4'-P-C4' energy: -106.152 flat angles P-C4'-P energy: -67.149 tors. eta vs tors. theta energy: -141.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1472.855942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.855942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.855942 (E_RNA) where: Base-Base interactions energy: -932.158 where: short stacking energy: -407.136 Base-Backbone interact. energy: -1.074 local terms energy: -539.624291 where: bonds (distance) C4'-P energy: -115.904 bonds (distance) P-C4' energy: -120.321 flat angles C4'-P-C4' energy: -123.989 flat angles P-C4'-P energy: -75.541 tors. eta vs tors. theta energy: -103.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1318.921854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.921854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.921854 (E_RNA) where: Base-Base interactions energy: -861.900 where: short stacking energy: -367.791 Base-Backbone interact. energy: -0.060 local terms energy: -456.961535 where: bonds (distance) C4'-P energy: -107.703 bonds (distance) P-C4' energy: -110.741 flat angles C4'-P-C4' energy: -115.286 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -69.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1048.644367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.644367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.644367 (E_RNA) where: Base-Base interactions energy: -614.291 where: short stacking energy: -286.485 Base-Backbone interact. energy: -2.039 local terms energy: -432.314390 where: bonds (distance) C4'-P energy: -101.645 bonds (distance) P-C4' energy: -116.537 flat angles C4'-P-C4' energy: -117.411 flat angles P-C4'-P energy: -59.615 tors. eta vs tors. theta energy: -37.107 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2482.638596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.638596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.638596 (E_RNA) where: Base-Base interactions energy: -1739.156 where: short stacking energy: -734.096 Base-Backbone interact. energy: -3.231 local terms energy: -740.251619 where: bonds (distance) C4'-P energy: -127.805 bonds (distance) P-C4' energy: -144.358 flat angles C4'-P-C4' energy: -151.915 flat angles P-C4'-P energy: -106.168 tors. eta vs tors. theta energy: -210.005 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: 48 Temperature: 0.950000 Total energy: -2426.651697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.651697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.651697 (E_RNA) where: Base-Base interactions energy: -1680.431 where: short stacking energy: -671.858 Base-Backbone interact. energy: 1.083 local terms energy: -747.303937 where: bonds (distance) C4'-P energy: -133.042 bonds (distance) P-C4' energy: -135.341 flat angles C4'-P-C4' energy: -162.018 flat angles P-C4'-P energy: -107.398 tors. eta vs tors. theta energy: -209.505 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: 48 Temperature: 1.000000 Total energy: -2293.905775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.905775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.905775 (E_RNA) where: Base-Base interactions energy: -1572.406 where: short stacking energy: -698.234 Base-Backbone interact. energy: -1.667 local terms energy: -719.831854 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -136.166 flat angles C4'-P-C4' energy: -156.006 flat angles P-C4'-P energy: -98.037 tors. eta vs tors. theta energy: -200.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2155.471814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.471814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.471814 (E_RNA) where: Base-Base interactions energy: -1486.941 where: short stacking energy: -633.672 Base-Backbone interact. energy: 0.250 local terms energy: -668.780914 where: bonds (distance) C4'-P energy: -119.377 bonds (distance) P-C4' energy: -131.986 flat angles C4'-P-C4' energy: -134.519 flat angles P-C4'-P energy: -95.092 tors. eta vs tors. theta energy: -187.806 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: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2215.997471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.997471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.997471 (E_RNA) where: Base-Base interactions energy: -1564.685 where: short stacking energy: -629.411 Base-Backbone interact. energy: -1.828 local terms energy: -649.484349 where: bonds (distance) C4'-P energy: -115.786 bonds (distance) P-C4' energy: -114.307 flat angles C4'-P-C4' energy: -138.512 flat angles P-C4'-P energy: -91.503 tors. eta vs tors. theta energy: -189.377 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: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2101.087775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.087775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.087775 (E_RNA) where: Base-Base interactions energy: -1469.423 where: short stacking energy: -600.943 Base-Backbone interact. energy: -0.669 local terms energy: -630.995786 where: bonds (distance) C4'-P energy: -119.374 bonds (distance) P-C4' energy: -112.247 flat angles C4'-P-C4' energy: -127.408 flat angles P-C4'-P energy: -95.970 tors. eta vs tors. theta energy: -175.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1836.186070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.186070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.186070 (E_RNA) where: Base-Base interactions energy: -1255.030 where: short stacking energy: -537.145 Base-Backbone interact. energy: 5.434 local terms energy: -586.589627 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -101.387 flat angles C4'-P-C4' energy: -130.520 flat angles P-C4'-P energy: -98.752 tors. eta vs tors. theta energy: -138.681 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: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1572.390596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.390596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.390596 (E_RNA) where: Base-Base interactions energy: -1040.143 where: short stacking energy: -452.164 Base-Backbone interact. energy: 2.475 local terms energy: -534.722900 where: bonds (distance) C4'-P energy: -120.324 bonds (distance) P-C4' energy: -118.016 flat angles C4'-P-C4' energy: -117.752 flat angles P-C4'-P energy: -66.474 tors. eta vs tors. theta energy: -112.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1253.834119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.834119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.834119 (E_RNA) where: Base-Base interactions energy: -820.661 where: short stacking energy: -378.410 Base-Backbone interact. energy: 1.693 local terms energy: -434.866073 where: bonds (distance) C4'-P energy: -69.485 bonds (distance) P-C4' energy: -113.269 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -68.742 tors. eta vs tors. theta energy: -62.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -990.491826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.491826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.491826 (E_RNA) where: Base-Base interactions energy: -608.338 where: short stacking energy: -296.151 Base-Backbone interact. energy: 0.457 local terms energy: -382.610840 where: bonds (distance) C4'-P energy: -103.966 bonds (distance) P-C4' energy: -83.620 flat angles C4'-P-C4' energy: -99.288 flat angles P-C4'-P energy: -57.523 tors. eta vs tors. theta energy: -38.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2469.466178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.466178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.466178 (E_RNA) where: Base-Base interactions energy: -1723.212 where: short stacking energy: -729.324 Base-Backbone interact. energy: -3.222 local terms energy: -743.032855 where: bonds (distance) C4'-P energy: -129.877 bonds (distance) P-C4' energy: -130.488 flat angles C4'-P-C4' energy: -162.081 flat angles P-C4'-P energy: -110.821 tors. eta vs tors. theta energy: -209.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2428.723126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.723126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.723126 (E_RNA) where: Base-Base interactions energy: -1697.090 where: short stacking energy: -712.797 Base-Backbone interact. energy: -3.982 local terms energy: -727.651410 where: bonds (distance) C4'-P energy: -132.308 bonds (distance) P-C4' energy: -122.189 flat angles C4'-P-C4' energy: -155.396 flat angles P-C4'-P energy: -106.444 tors. eta vs tors. theta energy: -211.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2295.284412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.284412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.284412 (E_RNA) where: Base-Base interactions energy: -1592.743 where: short stacking energy: -671.318 Base-Backbone interact. energy: -1.019 local terms energy: -701.523066 where: bonds (distance) C4'-P energy: -138.791 bonds (distance) P-C4' energy: -118.464 flat angles C4'-P-C4' energy: -157.278 flat angles P-C4'-P energy: -100.389 tors. eta vs tors. theta energy: -186.600 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: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2267.344187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.344187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.344187 (E_RNA) where: Base-Base interactions energy: -1606.808 where: short stacking energy: -654.666 Base-Backbone interact. energy: 1.464 local terms energy: -661.999493 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -117.506 flat angles C4'-P-C4' energy: -135.955 flat angles P-C4'-P energy: -93.670 tors. eta vs tors. theta energy: -181.927 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: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2117.427475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.427475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.427475 (E_RNA) where: Base-Base interactions energy: -1466.721 where: short stacking energy: -625.058 Base-Backbone interact. energy: -4.223 local terms energy: -646.483634 where: bonds (distance) C4'-P energy: -117.983 bonds (distance) P-C4' energy: -116.329 flat angles C4'-P-C4' energy: -145.261 flat angles P-C4'-P energy: -82.225 tors. eta vs tors. theta energy: -184.685 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: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2151.981700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.981700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.981700 (E_RNA) where: Base-Base interactions energy: -1528.396 where: short stacking energy: -628.599 Base-Backbone interact. energy: -1.025 local terms energy: -622.561446 where: bonds (distance) C4'-P energy: -106.251 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -143.269 flat angles P-C4'-P energy: -90.521 tors. eta vs tors. theta energy: -178.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1791.583924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.583924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.583924 (E_RNA) where: Base-Base interactions energy: -1226.564 where: short stacking energy: -514.088 Base-Backbone interact. energy: 1.367 local terms energy: -566.387643 where: bonds (distance) C4'-P energy: -94.750 bonds (distance) P-C4' energy: -114.421 flat angles C4'-P-C4' energy: -140.036 flat angles P-C4'-P energy: -83.280 tors. eta vs tors. theta energy: -133.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1531.499292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.499292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.499292 (E_RNA) where: Base-Base interactions energy: -1013.309 where: short stacking energy: -460.612 Base-Backbone interact. energy: -3.024 local terms energy: -515.166017 where: bonds (distance) C4'-P energy: -89.647 bonds (distance) P-C4' energy: -124.238 flat angles C4'-P-C4' energy: -126.765 flat angles P-C4'-P energy: -71.042 tors. eta vs tors. theta energy: -103.474 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: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1256.024046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.024046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.024046 (E_RNA) where: Base-Base interactions energy: -803.086 where: short stacking energy: -339.456 Base-Backbone interact. energy: -2.285 local terms energy: -450.653270 where: bonds (distance) C4'-P energy: -84.606 bonds (distance) P-C4' energy: -116.466 flat angles C4'-P-C4' energy: -125.745 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: -54.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1003.862706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.862706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.862706 (E_RNA) where: Base-Base interactions energy: -609.250 where: short stacking energy: -293.436 Base-Backbone interact. energy: 7.216 local terms energy: -401.828896 where: bonds (distance) C4'-P energy: -107.735 bonds (distance) P-C4' energy: -110.824 flat angles C4'-P-C4' energy: -93.785 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: -29.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2478.979777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.979777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.979777 (E_RNA) where: Base-Base interactions energy: -1726.401 where: short stacking energy: -722.715 Base-Backbone interact. energy: -2.303 local terms energy: -750.276539 where: bonds (distance) C4'-P energy: -125.681 bonds (distance) P-C4' energy: -134.690 flat angles C4'-P-C4' energy: -166.269 flat angles P-C4'-P energy: -102.088 tors. eta vs tors. theta energy: -221.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2428.565050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.565050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.565050 (E_RNA) where: Base-Base interactions energy: -1718.797 where: short stacking energy: -697.419 Base-Backbone interact. energy: -3.968 local terms energy: -705.800803 where: bonds (distance) C4'-P energy: -131.860 bonds (distance) P-C4' energy: -131.165 flat angles C4'-P-C4' energy: -142.924 flat angles P-C4'-P energy: -97.678 tors. eta vs tors. theta energy: -202.175 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: 50 Temperature: 1.000000 Total energy: -2289.758397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.758397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.758397 (E_RNA) where: Base-Base interactions energy: -1613.189 where: short stacking energy: -689.442 Base-Backbone interact. energy: 3.150 local terms energy: -679.719345 where: bonds (distance) C4'-P energy: -117.696 bonds (distance) P-C4' energy: -117.377 flat angles C4'-P-C4' energy: -147.003 flat angles P-C4'-P energy: -103.114 tors. eta vs tors. theta energy: -194.529 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: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2277.613835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.613835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.613835 (E_RNA) where: Base-Base interactions energy: -1627.272 where: short stacking energy: -676.115 Base-Backbone interact. energy: -2.427 local terms energy: -647.915304 where: bonds (distance) C4'-P energy: -103.126 bonds (distance) P-C4' energy: -119.316 flat angles C4'-P-C4' energy: -139.579 flat angles P-C4'-P energy: -91.265 tors. eta vs tors. theta energy: -194.629 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: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2206.835391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.835391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.835391 (E_RNA) where: Base-Base interactions energy: -1549.959 where: short stacking energy: -644.029 Base-Backbone interact. energy: 0.788 local terms energy: -657.665287 where: bonds (distance) C4'-P energy: -116.014 bonds (distance) P-C4' energy: -116.747 flat angles C4'-P-C4' energy: -150.221 flat angles P-C4'-P energy: -91.274 tors. eta vs tors. theta energy: -183.408 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: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2066.363294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.363294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.363294 (E_RNA) where: Base-Base interactions energy: -1426.481 where: short stacking energy: -585.810 Base-Backbone interact. energy: -0.409 local terms energy: -639.473975 where: bonds (distance) C4'-P energy: -108.593 bonds (distance) P-C4' energy: -142.672 flat angles C4'-P-C4' energy: -120.878 flat angles P-C4'-P energy: -80.136 tors. eta vs tors. theta energy: -187.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1826.512578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.512578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.512578 (E_RNA) where: Base-Base interactions energy: -1259.686 where: short stacking energy: -536.667 Base-Backbone interact. energy: -2.146 local terms energy: -564.680461 where: bonds (distance) C4'-P energy: -109.079 bonds (distance) P-C4' energy: -108.416 flat angles C4'-P-C4' energy: -125.086 flat angles P-C4'-P energy: -74.612 tors. eta vs tors. theta energy: -147.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1527.781219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.781219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.781219 (E_RNA) where: Base-Base interactions energy: -992.274 where: short stacking energy: -455.185 Base-Backbone interact. energy: 1.872 local terms energy: -537.379669 where: bonds (distance) C4'-P energy: -121.623 bonds (distance) P-C4' energy: -110.210 flat angles C4'-P-C4' energy: -114.463 flat angles P-C4'-P energy: -86.759 tors. eta vs tors. theta energy: -104.324 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: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1228.355446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.355446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.355446 (E_RNA) where: Base-Base interactions energy: -805.897 where: short stacking energy: -336.801 Base-Backbone interact. energy: -1.108 local terms energy: -421.350796 where: bonds (distance) C4'-P energy: -99.878 bonds (distance) P-C4' energy: -112.956 flat angles C4'-P-C4' energy: -109.882 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: -40.220 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: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1043.515772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.515772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.515772 (E_RNA) where: Base-Base interactions energy: -605.172 where: short stacking energy: -264.550 Base-Backbone interact. energy: -0.732 local terms energy: -437.611953 where: bonds (distance) C4'-P energy: -101.826 bonds (distance) P-C4' energy: -131.470 flat angles C4'-P-C4' energy: -105.985 flat angles P-C4'-P energy: -59.044 tors. eta vs tors. theta energy: -39.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2491.124033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.124033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.124033 (E_RNA) where: Base-Base interactions energy: -1757.052 where: short stacking energy: -729.873 Base-Backbone interact. energy: 1.924 local terms energy: -735.996306 where: bonds (distance) C4'-P energy: -131.943 bonds (distance) P-C4' energy: -141.050 flat angles C4'-P-C4' energy: -145.555 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -220.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2413.028783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.028783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.028783 (E_RNA) where: Base-Base interactions energy: -1688.101 where: short stacking energy: -696.967 Base-Backbone interact. energy: -0.163 local terms energy: -724.763925 where: bonds (distance) C4'-P energy: -120.334 bonds (distance) P-C4' energy: -134.853 flat angles C4'-P-C4' energy: -152.132 flat angles P-C4'-P energy: -99.654 tors. eta vs tors. theta energy: -217.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2313.877627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.877627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.877627 (E_RNA) where: Base-Base interactions energy: -1626.738 where: short stacking energy: -672.648 Base-Backbone interact. energy: 0.224 local terms energy: -687.363568 where: bonds (distance) C4'-P energy: -127.173 bonds (distance) P-C4' energy: -138.008 flat angles C4'-P-C4' energy: -135.919 flat angles P-C4'-P energy: -102.211 tors. eta vs tors. theta energy: -184.052 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: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2333.550606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.550606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.550606 (E_RNA) where: Base-Base interactions energy: -1681.020 where: short stacking energy: -679.007 Base-Backbone interact. energy: -3.510 local terms energy: -649.021293 where: bonds (distance) C4'-P energy: -111.931 bonds (distance) P-C4' energy: -115.041 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -93.079 tors. eta vs tors. theta energy: -188.154 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: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2220.200707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.200707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.200707 (E_RNA) where: Base-Base interactions energy: -1536.387 where: short stacking energy: -650.753 Base-Backbone interact. energy: -2.721 local terms energy: -681.092775 where: bonds (distance) C4'-P energy: -118.573 bonds (distance) P-C4' energy: -123.650 flat angles C4'-P-C4' energy: -154.826 flat angles P-C4'-P energy: -92.389 tors. eta vs tors. theta energy: -191.655 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: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2034.134139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.134139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.134139 (E_RNA) where: Base-Base interactions energy: -1396.992 where: short stacking energy: -583.859 Base-Backbone interact. energy: -1.465 local terms energy: -635.677000 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -120.367 flat angles C4'-P-C4' energy: -139.795 flat angles P-C4'-P energy: -98.747 tors. eta vs tors. theta energy: -181.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1792.697327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.697327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.697327 (E_RNA) where: Base-Base interactions energy: -1226.785 where: short stacking energy: -506.990 Base-Backbone interact. energy: 2.074 local terms energy: -567.986427 where: bonds (distance) C4'-P energy: -117.891 bonds (distance) P-C4' energy: -113.932 flat angles C4'-P-C4' energy: -132.405 flat angles P-C4'-P energy: -59.777 tors. eta vs tors. theta energy: -143.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1510.784468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.784468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.784468 (E_RNA) where: Base-Base interactions energy: -1014.226 where: short stacking energy: -446.215 Base-Backbone interact. energy: -0.723 local terms energy: -495.835784 where: bonds (distance) C4'-P energy: -99.362 bonds (distance) P-C4' energy: -120.416 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -73.234 tors. eta vs tors. theta energy: -99.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1257.176663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.176663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.176663 (E_RNA) where: Base-Base interactions energy: -801.698 where: short stacking energy: -372.348 Base-Backbone interact. energy: 6.411 local terms energy: -461.889993 where: bonds (distance) C4'-P energy: -105.124 bonds (distance) P-C4' energy: -106.516 flat angles C4'-P-C4' energy: -110.735 flat angles P-C4'-P energy: -68.775 tors. eta vs tors. theta energy: -70.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1061.526388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.526388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.526388 (E_RNA) where: Base-Base interactions energy: -658.072 where: short stacking energy: -319.942 Base-Backbone interact. energy: 3.472 local terms energy: -406.926690 where: bonds (distance) C4'-P energy: -94.470 bonds (distance) P-C4' energy: -114.734 flat angles C4'-P-C4' energy: -78.103 flat angles P-C4'-P energy: -71.133 tors. eta vs tors. theta energy: -48.488 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: 1, replica: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2494.068776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.068776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.068776 (E_RNA) where: Base-Base interactions energy: -1738.443 where: short stacking energy: -747.260 Base-Backbone interact. energy: -1.778 local terms energy: -753.847236 where: bonds (distance) C4'-P energy: -140.530 bonds (distance) P-C4' energy: -140.179 flat angles C4'-P-C4' energy: -147.448 flat angles P-C4'-P energy: -105.986 tors. eta vs tors. theta energy: -219.704 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: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2443.941642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.941642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.941642 (E_RNA) where: Base-Base interactions energy: -1730.587 where: short stacking energy: -739.897 Base-Backbone interact. energy: -3.760 local terms energy: -709.593929 where: bonds (distance) C4'-P energy: -117.542 bonds (distance) P-C4' energy: -132.612 flat angles C4'-P-C4' energy: -146.780 flat angles P-C4'-P energy: -102.745 tors. eta vs tors. theta energy: -209.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2445.193568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.193568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.193568 (E_RNA) where: Base-Base interactions energy: -1747.896 where: short stacking energy: -714.383 Base-Backbone interact. energy: -2.996 local terms energy: -694.301810 where: bonds (distance) C4'-P energy: -129.068 bonds (distance) P-C4' energy: -126.018 flat angles C4'-P-C4' energy: -148.099 flat angles P-C4'-P energy: -86.141 tors. eta vs tors. theta energy: -204.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2232.459430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.459430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.459430 (E_RNA) where: Base-Base interactions energy: -1579.348 where: short stacking energy: -662.762 Base-Backbone interact. energy: -1.760 local terms energy: -651.351151 where: bonds (distance) C4'-P energy: -115.902 bonds (distance) P-C4' energy: -116.410 flat angles C4'-P-C4' energy: -138.352 flat angles P-C4'-P energy: -86.594 tors. eta vs tors. theta energy: -194.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2230.154745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.154745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.154745 (E_RNA) where: Base-Base interactions energy: -1545.675 where: short stacking energy: -667.198 Base-Backbone interact. energy: -1.992 local terms energy: -682.488080 where: bonds (distance) C4'-P energy: -113.962 bonds (distance) P-C4' energy: -124.065 flat angles C4'-P-C4' energy: -155.778 flat angles P-C4'-P energy: -93.318 tors. eta vs tors. theta energy: -195.364 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: 52 Temperature: 1.150000 Total energy: -2042.570411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.570411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.570411 (E_RNA) where: Base-Base interactions energy: -1386.921 where: short stacking energy: -584.536 Base-Backbone interact. energy: -3.416 local terms energy: -652.233361 where: bonds (distance) C4'-P energy: -112.610 bonds (distance) P-C4' energy: -124.645 flat angles C4'-P-C4' energy: -143.801 flat angles P-C4'-P energy: -96.970 tors. eta vs tors. theta energy: -174.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1761.355774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.355774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.355774 (E_RNA) where: Base-Base interactions energy: -1230.809 where: short stacking energy: -492.057 Base-Backbone interact. energy: -0.652 local terms energy: -529.894674 where: bonds (distance) C4'-P energy: -94.247 bonds (distance) P-C4' energy: -140.235 flat angles C4'-P-C4' energy: -118.845 flat angles P-C4'-P energy: -58.148 tors. eta vs tors. theta energy: -118.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1540.915892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.915892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.915892 (E_RNA) where: Base-Base interactions energy: -974.998 where: short stacking energy: -429.845 Base-Backbone interact. energy: -2.972 local terms energy: -562.945854 where: bonds (distance) C4'-P energy: -125.671 bonds (distance) P-C4' energy: -104.457 flat angles C4'-P-C4' energy: -139.744 flat angles P-C4'-P energy: -79.965 tors. eta vs tors. theta energy: -113.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1186.579929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.579929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.579929 (E_RNA) where: Base-Base interactions energy: -740.571 where: short stacking energy: -331.662 Base-Backbone interact. energy: -0.938 local terms energy: -445.071047 where: bonds (distance) C4'-P energy: -109.084 bonds (distance) P-C4' energy: -108.093 flat angles C4'-P-C4' energy: -109.775 flat angles P-C4'-P energy: -69.641 tors. eta vs tors. theta energy: -48.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -977.438613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.438613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.438613 (E_RNA) where: Base-Base interactions energy: -605.821 where: short stacking energy: -261.188 Base-Backbone interact. energy: -3.832 local terms energy: -367.786011 where: bonds (distance) C4'-P energy: -111.765 bonds (distance) P-C4' energy: -96.009 flat angles C4'-P-C4' energy: -96.860 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -20.193 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: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2460.045481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.045481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.045481 (E_RNA) where: Base-Base interactions energy: -1715.399 where: short stacking energy: -744.350 Base-Backbone interact. energy: -3.008 local terms energy: -741.638957 where: bonds (distance) C4'-P energy: -132.732 bonds (distance) P-C4' energy: -126.491 flat angles C4'-P-C4' energy: -150.494 flat angles P-C4'-P energy: -112.380 tors. eta vs tors. theta energy: -219.542 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: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2497.867994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.867994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.867994 (E_RNA) where: Base-Base interactions energy: -1792.690 where: short stacking energy: -713.047 Base-Backbone interact. energy: -0.850 local terms energy: -704.327166 where: bonds (distance) C4'-P energy: -137.550 bonds (distance) P-C4' energy: -114.729 flat angles C4'-P-C4' energy: -147.710 flat angles P-C4'-P energy: -100.082 tors. eta vs tors. theta energy: -204.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2381.089663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.089663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.089663 (E_RNA) where: Base-Base interactions energy: -1656.362 where: short stacking energy: -695.737 Base-Backbone interact. energy: -3.250 local terms energy: -721.477073 where: bonds (distance) C4'-P energy: -131.736 bonds (distance) P-C4' energy: -134.136 flat angles C4'-P-C4' energy: -150.175 flat angles P-C4'-P energy: -104.852 tors. eta vs tors. theta energy: -200.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2294.248462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.248462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.248462 (E_RNA) where: Base-Base interactions energy: -1591.521 where: short stacking energy: -671.912 Base-Backbone interact. energy: -1.495 local terms energy: -701.232993 where: bonds (distance) C4'-P energy: -122.047 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -154.965 flat angles P-C4'-P energy: -80.796 tors. eta vs tors. theta energy: -205.447 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: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2170.453677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.453677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.453677 (E_RNA) where: Base-Base interactions energy: -1534.454 where: short stacking energy: -635.156 Base-Backbone interact. energy: -2.315 local terms energy: -633.684715 where: bonds (distance) C4'-P energy: -110.531 bonds (distance) P-C4' energy: -106.812 flat angles C4'-P-C4' energy: -139.970 flat angles P-C4'-P energy: -86.094 tors. eta vs tors. theta energy: -190.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2008.282184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.282184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.282184 (E_RNA) where: Base-Base interactions energy: -1384.862 where: short stacking energy: -584.743 Base-Backbone interact. energy: -4.369 local terms energy: -619.050401 where: bonds (distance) C4'-P energy: -108.642 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -129.618 flat angles P-C4'-P energy: -93.480 tors. eta vs tors. theta energy: -170.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1758.609701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.609701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.609701 (E_RNA) where: Base-Base interactions energy: -1223.415 where: short stacking energy: -509.964 Base-Backbone interact. energy: -2.698 local terms energy: -532.496660 where: bonds (distance) C4'-P energy: -107.093 bonds (distance) P-C4' energy: -104.108 flat angles C4'-P-C4' energy: -131.104 flat angles P-C4'-P energy: -66.187 tors. eta vs tors. theta energy: -124.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1502.316051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.316051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.316051 (E_RNA) where: Base-Base interactions energy: -995.912 where: short stacking energy: -444.755 Base-Backbone interact. energy: -2.244 local terms energy: -504.159705 where: bonds (distance) C4'-P energy: -102.020 bonds (distance) P-C4' energy: -114.088 flat angles C4'-P-C4' energy: -123.276 flat angles P-C4'-P energy: -73.289 tors. eta vs tors. theta energy: -91.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1289.290144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.290144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.290144 (E_RNA) where: Base-Base interactions energy: -791.672 where: short stacking energy: -365.394 Base-Backbone interact. energy: 1.516 local terms energy: -499.133764 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -118.323 flat angles C4'-P-C4' energy: -107.885 flat angles P-C4'-P energy: -80.749 tors. eta vs tors. theta energy: -72.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1019.261383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.261383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.261383 (E_RNA) where: Base-Base interactions energy: -623.787 where: short stacking energy: -290.631 Base-Backbone interact. energy: 6.648 local terms energy: -402.122261 where: bonds (distance) C4'-P energy: -105.329 bonds (distance) P-C4' energy: -96.835 flat angles C4'-P-C4' energy: -103.401 flat angles P-C4'-P energy: -78.508 tors. eta vs tors. theta energy: -18.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2572.946027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.946027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.946027 (E_RNA) where: Base-Base interactions energy: -1828.663 where: short stacking energy: -729.532 Base-Backbone interact. energy: -0.822 local terms energy: -743.461424 where: bonds (distance) C4'-P energy: -128.555 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -151.661 flat angles P-C4'-P energy: -120.157 tors. eta vs tors. theta energy: -209.658 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: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2422.138802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.138802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.138802 (E_RNA) where: Base-Base interactions energy: -1710.431 where: short stacking energy: -739.822 Base-Backbone interact. energy: -2.377 local terms energy: -709.331201 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -150.888 flat angles P-C4'-P energy: -113.978 tors. eta vs tors. theta energy: -210.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2370.942620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.942620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.942620 (E_RNA) where: Base-Base interactions energy: -1657.390 where: short stacking energy: -678.467 Base-Backbone interact. energy: -4.235 local terms energy: -709.318134 where: bonds (distance) C4'-P energy: -120.761 bonds (distance) P-C4' energy: -130.237 flat angles C4'-P-C4' energy: -149.126 flat angles P-C4'-P energy: -96.284 tors. eta vs tors. theta energy: -212.910 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: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2274.710107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.710107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.710107 (E_RNA) where: Base-Base interactions energy: -1582.565 where: short stacking energy: -672.229 Base-Backbone interact. energy: -2.679 local terms energy: -689.466234 where: bonds (distance) C4'-P energy: -129.374 bonds (distance) P-C4' energy: -113.655 flat angles C4'-P-C4' energy: -147.276 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -203.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2183.318208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.318208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.318208 (E_RNA) where: Base-Base interactions energy: -1542.952 where: short stacking energy: -658.892 Base-Backbone interact. energy: -0.696 local terms energy: -639.670549 where: bonds (distance) C4'-P energy: -110.526 bonds (distance) P-C4' energy: -116.762 flat angles C4'-P-C4' energy: -142.536 flat angles P-C4'-P energy: -85.295 tors. eta vs tors. theta energy: -184.552 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: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1983.912639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.912639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.912639 (E_RNA) where: Base-Base interactions energy: -1369.666 where: short stacking energy: -575.305 Base-Backbone interact. energy: -0.017 local terms energy: -614.229791 where: bonds (distance) C4'-P energy: -89.302 bonds (distance) P-C4' energy: -125.512 flat angles C4'-P-C4' energy: -129.733 flat angles P-C4'-P energy: -86.383 tors. eta vs tors. theta energy: -183.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1762.945953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.945953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.945953 (E_RNA) where: Base-Base interactions energy: -1235.156 where: short stacking energy: -534.318 Base-Backbone interact. energy: -2.550 local terms energy: -525.239600 where: bonds (distance) C4'-P energy: -92.570 bonds (distance) P-C4' energy: -106.417 flat angles C4'-P-C4' energy: -111.568 flat angles P-C4'-P energy: -75.280 tors. eta vs tors. theta energy: -139.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1540.974976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.974976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.974976 (E_RNA) where: Base-Base interactions energy: -1024.108 where: short stacking energy: -484.057 Base-Backbone interact. energy: -1.267 local terms energy: -515.600760 where: bonds (distance) C4'-P energy: -97.006 bonds (distance) P-C4' energy: -108.639 flat angles C4'-P-C4' energy: -116.861 flat angles P-C4'-P energy: -70.543 tors. eta vs tors. theta energy: -122.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1285.930192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.930192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.930192 (E_RNA) where: Base-Base interactions energy: -811.950 where: short stacking energy: -372.484 Base-Backbone interact. energy: -1.702 local terms energy: -472.278347 where: bonds (distance) C4'-P energy: -89.132 bonds (distance) P-C4' energy: -121.015 flat angles C4'-P-C4' energy: -117.288 flat angles P-C4'-P energy: -78.788 tors. eta vs tors. theta energy: -66.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1023.441412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.441412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.441412 (E_RNA) where: Base-Base interactions energy: -620.200 where: short stacking energy: -290.463 Base-Backbone interact. energy: 1.190 local terms energy: -404.431637 where: bonds (distance) C4'-P energy: -95.970 bonds (distance) P-C4' energy: -104.384 flat angles C4'-P-C4' energy: -96.248 flat angles P-C4'-P energy: -61.971 tors. eta vs tors. theta energy: -45.858 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: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2558.227737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.227737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.227737 (E_RNA) where: Base-Base interactions energy: -1833.353 where: short stacking energy: -714.283 Base-Backbone interact. energy: 2.282 local terms energy: -727.156349 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -121.339 flat angles C4'-P-C4' energy: -157.579 flat angles P-C4'-P energy: -108.785 tors. eta vs tors. theta energy: -203.448 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: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2438.104680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.104680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.104680 (E_RNA) where: Base-Base interactions energy: -1681.616 where: short stacking energy: -711.488 Base-Backbone interact. energy: -2.367 local terms energy: -754.121301 where: bonds (distance) C4'-P energy: -147.660 bonds (distance) P-C4' energy: -116.974 flat angles C4'-P-C4' energy: -163.758 flat angles P-C4'-P energy: -105.155 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: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2354.248283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.248283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.248283 (E_RNA) where: Base-Base interactions energy: -1671.800 where: short stacking energy: -686.626 Base-Backbone interact. energy: 1.399 local terms energy: -683.846591 where: bonds (distance) C4'-P energy: -105.234 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -149.341 flat angles P-C4'-P energy: -106.799 tors. eta vs tors. theta energy: -194.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2307.345876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.345876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.345876 (E_RNA) where: Base-Base interactions energy: -1619.418 where: short stacking energy: -662.390 Base-Backbone interact. energy: -2.966 local terms energy: -684.961727 where: bonds (distance) C4'-P energy: -111.250 bonds (distance) P-C4' energy: -125.646 flat angles C4'-P-C4' energy: -158.843 flat angles P-C4'-P energy: -97.988 tors. eta vs tors. theta energy: -191.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2200.277881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.277881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.277881 (E_RNA) where: Base-Base interactions energy: -1519.769 where: short stacking energy: -625.396 Base-Backbone interact. energy: -3.059 local terms energy: -677.449814 where: bonds (distance) C4'-P energy: -129.599 bonds (distance) P-C4' energy: -126.435 flat angles C4'-P-C4' energy: -142.389 flat angles P-C4'-P energy: -100.461 tors. eta vs tors. theta energy: -178.566 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: 55 Temperature: 1.150000 Total energy: -1956.330812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.330812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.330812 (E_RNA) where: Base-Base interactions energy: -1356.840 where: short stacking energy: -553.078 Base-Backbone interact. energy: -0.210 local terms energy: -599.280065 where: bonds (distance) C4'-P energy: -125.099 bonds (distance) P-C4' energy: -110.753 flat angles C4'-P-C4' energy: -127.703 flat angles P-C4'-P energy: -82.711 tors. eta vs tors. theta energy: -153.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1806.339897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.339897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.339897 (E_RNA) where: Base-Base interactions energy: -1264.005 where: short stacking energy: -513.970 Base-Backbone interact. energy: -1.216 local terms energy: -541.119198 where: bonds (distance) C4'-P energy: -109.116 bonds (distance) P-C4' energy: -87.583 flat angles C4'-P-C4' energy: -127.251 flat angles P-C4'-P energy: -77.071 tors. eta vs tors. theta energy: -140.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1495.877296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.877296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.877296 (E_RNA) where: Base-Base interactions energy: -977.526 where: short stacking energy: -430.129 Base-Backbone interact. energy: -2.204 local terms energy: -516.147022 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -117.062 flat angles C4'-P-C4' energy: -115.085 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -104.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1210.763291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.763291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.763291 (E_RNA) where: Base-Base interactions energy: -743.084 where: short stacking energy: -335.263 Base-Backbone interact. energy: 2.404 local terms energy: -470.083192 where: bonds (distance) C4'-P energy: -116.012 bonds (distance) P-C4' energy: -120.344 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -71.435 tors. eta vs tors. theta energy: -62.240 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: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1053.271187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.271187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.271187 (E_RNA) where: Base-Base interactions energy: -636.082 where: short stacking energy: -296.062 Base-Backbone interact. energy: -1.262 local terms energy: -415.927130 where: bonds (distance) C4'-P energy: -104.180 bonds (distance) P-C4' energy: -125.942 flat angles C4'-P-C4' energy: -96.386 flat angles P-C4'-P energy: -62.711 tors. eta vs tors. theta energy: -26.707 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: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2536.915051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.915051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.915051 (E_RNA) where: Base-Base interactions energy: -1795.823 where: short stacking energy: -715.582 Base-Backbone interact. energy: -3.563 local terms energy: -737.529698 where: bonds (distance) C4'-P energy: -141.895 bonds (distance) P-C4' energy: -121.177 flat angles C4'-P-C4' energy: -154.231 flat angles P-C4'-P energy: -107.140 tors. eta vs tors. theta energy: -213.087 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: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2414.703635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.703635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.703635 (E_RNA) where: Base-Base interactions energy: -1708.393 where: short stacking energy: -731.502 Base-Backbone interact. energy: -3.116 local terms energy: -703.194751 where: bonds (distance) C4'-P energy: -118.364 bonds (distance) P-C4' energy: -128.431 flat angles C4'-P-C4' energy: -155.384 flat angles P-C4'-P energy: -85.525 tors. eta vs tors. theta energy: -215.492 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: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2338.288487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.288487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.288487 (E_RNA) where: Base-Base interactions energy: -1648.486 where: short stacking energy: -689.147 Base-Backbone interact. energy: -3.689 local terms energy: -686.113805 where: bonds (distance) C4'-P energy: -115.328 bonds (distance) P-C4' energy: -114.790 flat angles C4'-P-C4' energy: -154.444 flat angles P-C4'-P energy: -102.193 tors. eta vs tors. theta energy: -199.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2302.397972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.397972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.397972 (E_RNA) where: Base-Base interactions energy: -1622.332 where: short stacking energy: -669.515 Base-Backbone interact. energy: -3.857 local terms energy: -676.209185 where: bonds (distance) C4'-P energy: -114.532 bonds (distance) P-C4' energy: -121.997 flat angles C4'-P-C4' energy: -147.420 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -190.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2113.824688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.824688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.824688 (E_RNA) where: Base-Base interactions energy: -1439.375 where: short stacking energy: -606.165 Base-Backbone interact. energy: -1.489 local terms energy: -672.961048 where: bonds (distance) C4'-P energy: -126.307 bonds (distance) P-C4' energy: -133.618 flat angles C4'-P-C4' energy: -144.277 flat angles P-C4'-P energy: -84.926 tors. eta vs tors. theta energy: -183.832 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: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1831.439593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.439593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.439593 (E_RNA) where: Base-Base interactions energy: -1238.191 where: short stacking energy: -527.588 Base-Backbone interact. energy: -1.681 local terms energy: -591.568366 where: bonds (distance) C4'-P energy: -102.869 bonds (distance) P-C4' energy: -113.174 flat angles C4'-P-C4' energy: -132.387 flat angles P-C4'-P energy: -96.420 tors. eta vs tors. theta energy: -146.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1796.812701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.812701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.812701 (E_RNA) where: Base-Base interactions energy: -1250.360 where: short stacking energy: -511.936 Base-Backbone interact. energy: 2.830 local terms energy: -549.282898 where: bonds (distance) C4'-P energy: -112.499 bonds (distance) P-C4' energy: -91.274 flat angles C4'-P-C4' energy: -131.712 flat angles P-C4'-P energy: -69.527 tors. eta vs tors. theta energy: -144.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1638.157177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.157177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.157177 (E_RNA) where: Base-Base interactions energy: -1130.074 where: short stacking energy: -480.139 Base-Backbone interact. energy: -1.069 local terms energy: -507.014193 where: bonds (distance) C4'-P energy: -105.933 bonds (distance) P-C4' energy: -92.743 flat angles C4'-P-C4' energy: -120.417 flat angles P-C4'-P energy: -69.776 tors. eta vs tors. theta energy: -118.145 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: 56 Temperature: 1.300000 Total energy: -1218.040868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.040868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.040868 (E_RNA) where: Base-Base interactions energy: -752.699 where: short stacking energy: -361.232 Base-Backbone interact. energy: -2.232 local terms energy: -463.109650 where: bonds (distance) C4'-P energy: -117.791 bonds (distance) P-C4' energy: -110.752 flat angles C4'-P-C4' energy: -108.554 flat angles P-C4'-P energy: -67.131 tors. eta vs tors. theta energy: -58.882 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: 56 Temperature: 1.350000 Total energy: -1064.983445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.983445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.983445 (E_RNA) where: Base-Base interactions energy: -631.165 where: short stacking energy: -298.324 Base-Backbone interact. energy: 0.950 local terms energy: -434.769105 where: bonds (distance) C4'-P energy: -98.186 bonds (distance) P-C4' energy: -121.934 flat angles C4'-P-C4' energy: -101.984 flat angles P-C4'-P energy: -59.769 tors. eta vs tors. theta energy: -52.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2553.733062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.733062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.733062 (E_RNA) where: Base-Base interactions energy: -1812.121 where: short stacking energy: -722.269 Base-Backbone interact. energy: -1.940 local terms energy: -739.672339 where: bonds (distance) C4'-P energy: -141.736 bonds (distance) P-C4' energy: -134.645 flat angles C4'-P-C4' energy: -147.645 flat angles P-C4'-P energy: -103.302 tors. eta vs tors. theta energy: -212.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2420.540577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.540577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.540577 (E_RNA) where: Base-Base interactions energy: -1698.779 where: short stacking energy: -722.912 Base-Backbone interact. energy: -1.830 local terms energy: -719.931766 where: bonds (distance) C4'-P energy: -127.828 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -161.445 flat angles P-C4'-P energy: -96.382 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: 3, replica: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2338.598670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.598670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.598670 (E_RNA) where: Base-Base interactions energy: -1645.516 where: short stacking energy: -710.867 Base-Backbone interact. energy: -3.441 local terms energy: -689.641077 where: bonds (distance) C4'-P energy: -110.844 bonds (distance) P-C4' energy: -129.206 flat angles C4'-P-C4' energy: -145.351 flat angles P-C4'-P energy: -104.233 tors. eta vs tors. theta energy: -200.007 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: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2273.919187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.919187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.919187 (E_RNA) where: Base-Base interactions energy: -1613.644 where: short stacking energy: -669.458 Base-Backbone interact. energy: -1.614 local terms energy: -658.661237 where: bonds (distance) C4'-P energy: -114.832 bonds (distance) P-C4' energy: -111.696 flat angles C4'-P-C4' energy: -142.162 flat angles P-C4'-P energy: -95.961 tors. eta vs tors. theta energy: -194.011 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: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2087.212076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.212076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.212076 (E_RNA) where: Base-Base interactions energy: -1429.051 where: short stacking energy: -629.202 Base-Backbone interact. energy: -2.353 local terms energy: -655.808144 where: bonds (distance) C4'-P energy: -124.778 bonds (distance) P-C4' energy: -124.606 flat angles C4'-P-C4' energy: -145.403 flat angles P-C4'-P energy: -84.269 tors. eta vs tors. theta energy: -176.752 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: 57 Temperature: 1.150000 Total energy: -1842.073820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.073820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.073820 (E_RNA) where: Base-Base interactions energy: -1262.756 where: short stacking energy: -523.905 Base-Backbone interact. energy: 0.563 local terms energy: -579.880172 where: bonds (distance) C4'-P energy: -118.164 bonds (distance) P-C4' energy: -105.797 flat angles C4'-P-C4' energy: -130.771 flat angles P-C4'-P energy: -85.810 tors. eta vs tors. theta energy: -139.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1743.267889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.267889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.267889 (E_RNA) where: Base-Base interactions energy: -1175.486 where: short stacking energy: -510.987 Base-Backbone interact. energy: -1.274 local terms energy: -566.507845 where: bonds (distance) C4'-P energy: -109.751 bonds (distance) P-C4' energy: -121.615 flat angles C4'-P-C4' energy: -131.911 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: -135.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1674.196367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.196367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.196367 (E_RNA) where: Base-Base interactions energy: -1172.992 where: short stacking energy: -515.907 Base-Backbone interact. energy: -1.628 local terms energy: -499.576186 where: bonds (distance) C4'-P energy: -102.337 bonds (distance) P-C4' energy: -92.469 flat angles C4'-P-C4' energy: -125.679 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -134.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1166.808623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.808623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.808623 (E_RNA) where: Base-Base interactions energy: -720.906 where: short stacking energy: -356.505 Base-Backbone interact. energy: 7.044 local terms energy: -452.946252 where: bonds (distance) C4'-P energy: -107.880 bonds (distance) P-C4' energy: -124.378 flat angles C4'-P-C4' energy: -107.964 flat angles P-C4'-P energy: -59.510 tors. eta vs tors. theta energy: -53.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1077.077356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.077356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.077356 (E_RNA) where: Base-Base interactions energy: -673.287 where: short stacking energy: -304.027 Base-Backbone interact. energy: -1.855 local terms energy: -401.935208 where: bonds (distance) C4'-P energy: -101.048 bonds (distance) P-C4' energy: -108.265 flat angles C4'-P-C4' energy: -99.346 flat angles P-C4'-P energy: -62.908 tors. eta vs tors. theta energy: -30.368 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: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2549.389190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.389190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.389190 (E_RNA) where: Base-Base interactions energy: -1808.690 where: short stacking energy: -722.153 Base-Backbone interact. energy: -2.166 local terms energy: -738.533655 where: bonds (distance) C4'-P energy: -132.261 bonds (distance) P-C4' energy: -136.592 flat angles C4'-P-C4' energy: -152.628 flat angles P-C4'-P energy: -105.517 tors. eta vs tors. theta energy: -211.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2400.726868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.726868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.726868 (E_RNA) where: Base-Base interactions energy: -1682.544 where: short stacking energy: -697.686 Base-Backbone interact. energy: -2.787 local terms energy: -715.396702 where: bonds (distance) C4'-P energy: -119.873 bonds (distance) P-C4' energy: -139.774 flat angles C4'-P-C4' energy: -142.402 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -207.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2324.951339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.951339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.951339 (E_RNA) where: Base-Base interactions energy: -1624.249 where: short stacking energy: -692.381 Base-Backbone interact. energy: -2.332 local terms energy: -698.370627 where: bonds (distance) C4'-P energy: -128.989 bonds (distance) P-C4' energy: -114.094 flat angles C4'-P-C4' energy: -154.767 flat angles P-C4'-P energy: -94.333 tors. eta vs tors. theta energy: -206.187 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: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2304.945452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.945452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.945452 (E_RNA) where: Base-Base interactions energy: -1623.328 where: short stacking energy: -681.117 Base-Backbone interact. energy: 1.244 local terms energy: -682.861350 where: bonds (distance) C4'-P energy: -132.195 bonds (distance) P-C4' energy: -122.857 flat angles C4'-P-C4' energy: -122.023 flat angles P-C4'-P energy: -100.603 tors. eta vs tors. theta energy: -205.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2024.980397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.980397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.980397 (E_RNA) where: Base-Base interactions energy: -1375.707 where: short stacking energy: -590.436 Base-Backbone interact. energy: -3.107 local terms energy: -646.166977 where: bonds (distance) C4'-P energy: -124.604 bonds (distance) P-C4' energy: -114.964 flat angles C4'-P-C4' energy: -146.823 flat angles P-C4'-P energy: -82.779 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: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1912.224029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.224029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.224029 (E_RNA) where: Base-Base interactions energy: -1289.693 where: short stacking energy: -549.052 Base-Backbone interact. energy: -0.694 local terms energy: -621.837393 where: bonds (distance) C4'-P energy: -118.804 bonds (distance) P-C4' energy: -123.919 flat angles C4'-P-C4' energy: -143.589 flat angles P-C4'-P energy: -81.336 tors. eta vs tors. theta energy: -154.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1712.242549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.242549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.242549 (E_RNA) where: Base-Base interactions energy: -1181.503 where: short stacking energy: -503.027 Base-Backbone interact. energy: -2.150 local terms energy: -528.589724 where: bonds (distance) C4'-P energy: -87.350 bonds (distance) P-C4' energy: -102.197 flat angles C4'-P-C4' energy: -123.607 flat angles P-C4'-P energy: -90.055 tors. eta vs tors. theta energy: -125.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1666.964493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.964493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.964493 (E_RNA) where: Base-Base interactions energy: -1143.292 where: short stacking energy: -474.669 Base-Backbone interact. energy: -0.387 local terms energy: -523.285309 where: bonds (distance) C4'-P energy: -115.458 bonds (distance) P-C4' energy: -93.879 flat angles C4'-P-C4' energy: -118.770 flat angles P-C4'-P energy: -82.401 tors. eta vs tors. theta energy: -112.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1200.590933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.590933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.590933 (E_RNA) where: Base-Base interactions energy: -752.602 where: short stacking energy: -342.101 Base-Backbone interact. energy: 1.919 local terms energy: -449.907696 where: bonds (distance) C4'-P energy: -99.856 bonds (distance) P-C4' energy: -111.228 flat angles C4'-P-C4' energy: -125.115 flat angles P-C4'-P energy: -59.762 tors. eta vs tors. theta energy: -53.947 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: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1006.264801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.264801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.264801 (E_RNA) where: Base-Base interactions energy: -617.708 where: short stacking energy: -299.726 Base-Backbone interact. energy: 5.288 local terms energy: -393.845406 where: bonds (distance) C4'-P energy: -105.185 bonds (distance) P-C4' energy: -104.404 flat angles C4'-P-C4' energy: -108.827 flat angles P-C4'-P energy: -48.972 tors. eta vs tors. theta energy: -26.458 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: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2565.765035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.765035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.765035 (E_RNA) where: Base-Base interactions energy: -1847.649 where: short stacking energy: -725.986 Base-Backbone interact. energy: -0.693 local terms energy: -717.422341 where: bonds (distance) C4'-P energy: -112.453 bonds (distance) P-C4' energy: -128.020 flat angles C4'-P-C4' energy: -157.558 flat angles P-C4'-P energy: -116.601 tors. eta vs tors. theta energy: -202.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2397.027368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.027368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.027368 (E_RNA) where: Base-Base interactions energy: -1668.457 where: short stacking energy: -714.245 Base-Backbone interact. energy: -4.424 local terms energy: -724.146656 where: bonds (distance) C4'-P energy: -125.666 bonds (distance) P-C4' energy: -130.555 flat angles C4'-P-C4' energy: -154.662 flat angles P-C4'-P energy: -104.177 tors. eta vs tors. theta energy: -209.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2348.079454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.079454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.079454 (E_RNA) where: Base-Base interactions energy: -1628.410 where: short stacking energy: -684.726 Base-Backbone interact. energy: -2.334 local terms energy: -717.335525 where: bonds (distance) C4'-P energy: -117.087 bonds (distance) P-C4' energy: -132.447 flat angles C4'-P-C4' energy: -149.443 flat angles P-C4'-P energy: -106.279 tors. eta vs tors. theta energy: -212.080 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: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2333.739869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.739869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.739869 (E_RNA) where: Base-Base interactions energy: -1651.181 where: short stacking energy: -707.745 Base-Backbone interact. energy: -1.845 local terms energy: -680.713211 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -119.096 flat angles C4'-P-C4' energy: -137.363 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -214.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2084.163162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.163162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.163162 (E_RNA) where: Base-Base interactions energy: -1441.047 where: short stacking energy: -615.938 Base-Backbone interact. energy: 0.370 local terms energy: -643.485861 where: bonds (distance) C4'-P energy: -110.985 bonds (distance) P-C4' energy: -114.907 flat angles C4'-P-C4' energy: -152.417 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -172.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1952.477523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.477523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.477523 (E_RNA) where: Base-Base interactions energy: -1340.995 where: short stacking energy: -563.721 Base-Backbone interact. energy: -4.322 local terms energy: -607.161137 where: bonds (distance) C4'-P energy: -125.033 bonds (distance) P-C4' energy: -101.962 flat angles C4'-P-C4' energy: -128.647 flat angles P-C4'-P energy: -83.777 tors. eta vs tors. theta energy: -167.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1681.429015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.429015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.429015 (E_RNA) where: Base-Base interactions energy: -1137.616 where: short stacking energy: -470.024 Base-Backbone interact. energy: -2.182 local terms energy: -541.631361 where: bonds (distance) C4'-P energy: -108.719 bonds (distance) P-C4' energy: -115.982 flat angles C4'-P-C4' energy: -119.325 flat angles P-C4'-P energy: -66.882 tors. eta vs tors. theta energy: -130.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1693.606858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.606858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.606858 (E_RNA) where: Base-Base interactions energy: -1144.582 where: short stacking energy: -479.045 Base-Backbone interact. energy: -4.852 local terms energy: -544.172600 where: bonds (distance) C4'-P energy: -98.631 bonds (distance) P-C4' energy: -114.214 flat angles C4'-P-C4' energy: -118.864 flat angles P-C4'-P energy: -80.581 tors. eta vs tors. theta energy: -131.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1252.949065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.949065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.949065 (E_RNA) where: Base-Base interactions energy: -819.858 where: short stacking energy: -367.364 Base-Backbone interact. energy: 1.985 local terms energy: -435.075570 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -107.212 flat angles C4'-P-C4' energy: -98.225 flat angles P-C4'-P energy: -74.108 tors. eta vs tors. theta energy: -62.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1042.460620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.460620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.460620 (E_RNA) where: Base-Base interactions energy: -628.008 where: short stacking energy: -284.343 Base-Backbone interact. energy: -0.084 local terms energy: -414.368273 where: bonds (distance) C4'-P energy: -109.595 bonds (distance) P-C4' energy: -112.314 flat angles C4'-P-C4' energy: -101.153 flat angles P-C4'-P energy: -61.094 tors. eta vs tors. theta energy: -30.212 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: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2565.651972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.651972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.651972 (E_RNA) where: Base-Base interactions energy: -1829.252 where: short stacking energy: -738.426 Base-Backbone interact. energy: 2.727 local terms energy: -739.127411 where: bonds (distance) C4'-P energy: -145.198 bonds (distance) P-C4' energy: -117.261 flat angles C4'-P-C4' energy: -160.111 flat angles P-C4'-P energy: -101.206 tors. eta vs tors. theta energy: -215.352 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: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2418.539213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.539213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.539213 (E_RNA) where: Base-Base interactions energy: -1688.491 where: short stacking energy: -699.770 Base-Backbone interact. energy: -2.519 local terms energy: -727.529206 where: bonds (distance) C4'-P energy: -128.931 bonds (distance) P-C4' energy: -138.159 flat angles C4'-P-C4' energy: -150.448 flat angles P-C4'-P energy: -94.699 tors. eta vs tors. theta energy: -215.292 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2389.955496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.955496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.955496 (E_RNA) where: Base-Base interactions energy: -1666.701 where: short stacking energy: -703.271 Base-Backbone interact. energy: -3.741 local terms energy: -719.514276 where: bonds (distance) C4'-P energy: -108.835 bonds (distance) P-C4' energy: -128.301 flat angles C4'-P-C4' energy: -151.637 flat angles P-C4'-P energy: -114.629 tors. eta vs tors. theta energy: -216.113 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: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2282.140163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.140163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.140163 (E_RNA) where: Base-Base interactions energy: -1595.349 where: short stacking energy: -665.087 Base-Backbone interact. energy: -3.291 local terms energy: -683.499673 where: bonds (distance) C4'-P energy: -121.314 bonds (distance) P-C4' energy: -122.275 flat angles C4'-P-C4' energy: -130.831 flat angles P-C4'-P energy: -118.142 tors. eta vs tors. theta energy: -190.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2121.112471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.112471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.112471 (E_RNA) where: Base-Base interactions energy: -1490.315 where: short stacking energy: -601.509 Base-Backbone interact. energy: 1.246 local terms energy: -632.042962 where: bonds (distance) C4'-P energy: -125.715 bonds (distance) P-C4' energy: -102.511 flat angles C4'-P-C4' energy: -140.845 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -177.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2033.430871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.430871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.430871 (E_RNA) where: Base-Base interactions energy: -1425.300 where: short stacking energy: -591.043 Base-Backbone interact. energy: -4.065 local terms energy: -604.066680 where: bonds (distance) C4'-P energy: -94.912 bonds (distance) P-C4' energy: -123.383 flat angles C4'-P-C4' energy: -131.600 flat angles P-C4'-P energy: -86.042 tors. eta vs tors. theta energy: -168.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1828.697888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.697888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.697888 (E_RNA) where: Base-Base interactions energy: -1233.450 where: short stacking energy: -511.385 Base-Backbone interact. energy: -1.724 local terms energy: -593.524280 where: bonds (distance) C4'-P energy: -127.375 bonds (distance) P-C4' energy: -109.073 flat angles C4'-P-C4' energy: -140.934 flat angles P-C4'-P energy: -78.082 tors. eta vs tors. theta energy: -138.060 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: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1618.772099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.772099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.772099 (E_RNA) where: Base-Base interactions energy: -1088.211 where: short stacking energy: -486.431 Base-Backbone interact. energy: -1.940 local terms energy: -528.620686 where: bonds (distance) C4'-P energy: -100.098 bonds (distance) P-C4' energy: -111.387 flat angles C4'-P-C4' energy: -124.325 flat angles P-C4'-P energy: -75.553 tors. eta vs tors. theta energy: -117.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1251.151365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.151365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.151365 (E_RNA) where: Base-Base interactions energy: -783.648 where: short stacking energy: -371.877 Base-Backbone interact. energy: 0.749 local terms energy: -468.252043 where: bonds (distance) C4'-P energy: -114.212 bonds (distance) P-C4' energy: -126.625 flat angles C4'-P-C4' energy: -93.402 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: -61.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1062.514655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.514655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.514655 (E_RNA) where: Base-Base interactions energy: -649.547 where: short stacking energy: -284.284 Base-Backbone interact. energy: 1.933 local terms energy: -414.900315 where: bonds (distance) C4'-P energy: -98.300 bonds (distance) P-C4' energy: -120.418 flat angles C4'-P-C4' energy: -95.885 flat angles P-C4'-P energy: -65.869 tors. eta vs tors. theta energy: -34.428 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: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2576.102791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.102791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.102791 (E_RNA) where: Base-Base interactions energy: -1840.237 where: short stacking energy: -740.887 Base-Backbone interact. energy: -1.671 local terms energy: -734.194676 where: bonds (distance) C4'-P energy: -126.083 bonds (distance) P-C4' energy: -126.570 flat angles C4'-P-C4' energy: -156.547 flat angles P-C4'-P energy: -111.209 tors. eta vs tors. theta energy: -213.785 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: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2443.098759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.098759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.098759 (E_RNA) where: Base-Base interactions energy: -1717.737 where: short stacking energy: -729.768 Base-Backbone interact. energy: 1.351 local terms energy: -726.713188 where: bonds (distance) C4'-P energy: -129.852 bonds (distance) P-C4' energy: -126.457 flat angles C4'-P-C4' energy: -157.105 flat angles P-C4'-P energy: -99.332 tors. eta vs tors. theta energy: -213.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2406.701114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.701114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.701114 (E_RNA) where: Base-Base interactions energy: -1690.673 where: short stacking energy: -705.385 Base-Backbone interact. energy: -1.039 local terms energy: -714.988446 where: bonds (distance) C4'-P energy: -115.454 bonds (distance) P-C4' energy: -132.755 flat angles C4'-P-C4' energy: -152.148 flat angles P-C4'-P energy: -104.461 tors. eta vs tors. theta energy: -210.170 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: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2233.537334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.537334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.537334 (E_RNA) where: Base-Base interactions energy: -1546.420 where: short stacking energy: -657.962 Base-Backbone interact. energy: -2.736 local terms energy: -684.380758 where: bonds (distance) C4'-P energy: -124.874 bonds (distance) P-C4' energy: -118.345 flat angles C4'-P-C4' energy: -145.567 flat angles P-C4'-P energy: -95.667 tors. eta vs tors. theta energy: -199.927 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: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2112.007014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.007014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.007014 (E_RNA) where: Base-Base interactions energy: -1470.565 where: short stacking energy: -656.851 Base-Backbone interact. energy: 0.338 local terms energy: -641.780119 where: bonds (distance) C4'-P energy: -120.663 bonds (distance) P-C4' energy: -129.433 flat angles C4'-P-C4' energy: -136.436 flat angles P-C4'-P energy: -66.477 tors. eta vs tors. theta energy: -188.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1960.856588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.856588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.856588 (E_RNA) where: Base-Base interactions energy: -1366.441 where: short stacking energy: -545.968 Base-Backbone interact. energy: -0.183 local terms energy: -594.232198 where: bonds (distance) C4'-P energy: -110.113 bonds (distance) P-C4' energy: -129.701 flat angles C4'-P-C4' energy: -120.926 flat angles P-C4'-P energy: -84.913 tors. eta vs tors. theta energy: -148.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1891.628487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.628487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.628487 (E_RNA) where: Base-Base interactions energy: -1318.868 where: short stacking energy: -543.415 Base-Backbone interact. energy: -2.434 local terms energy: -570.327055 where: bonds (distance) C4'-P energy: -128.169 bonds (distance) P-C4' energy: -73.207 flat angles C4'-P-C4' energy: -136.602 flat angles P-C4'-P energy: -89.230 tors. eta vs tors. theta energy: -143.119 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: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1569.929509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.929509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.929509 (E_RNA) where: Base-Base interactions energy: -1029.214 where: short stacking energy: -456.988 Base-Backbone interact. energy: -2.198 local terms energy: -538.517865 where: bonds (distance) C4'-P energy: -110.268 bonds (distance) P-C4' energy: -134.421 flat angles C4'-P-C4' energy: -108.393 flat angles P-C4'-P energy: -74.910 tors. eta vs tors. theta energy: -110.526 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: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1258.647642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.647642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.647642 (E_RNA) where: Base-Base interactions energy: -813.471 where: short stacking energy: -374.363 Base-Backbone interact. energy: -1.975 local terms energy: -443.201450 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -108.621 flat angles C4'-P-C4' energy: -96.948 flat angles P-C4'-P energy: -76.356 tors. eta vs tors. theta energy: -74.321 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: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1016.475649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.475649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.475649 (E_RNA) where: Base-Base interactions energy: -628.864 where: short stacking energy: -292.538 Base-Backbone interact. energy: 0.558 local terms energy: -388.170130 where: bonds (distance) C4'-P energy: -82.235 bonds (distance) P-C4' energy: -105.110 flat angles C4'-P-C4' energy: -113.260 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -28.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2569.092664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.092664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.092664 (E_RNA) where: Base-Base interactions energy: -1806.282 where: short stacking energy: -710.157 Base-Backbone interact. energy: -3.576 local terms energy: -759.234502 where: bonds (distance) C4'-P energy: -133.466 bonds (distance) P-C4' energy: -144.230 flat angles C4'-P-C4' energy: -159.895 flat angles P-C4'-P energy: -113.100 tors. eta vs tors. theta energy: -208.543 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: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2406.347279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.347279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.347279 (E_RNA) where: Base-Base interactions energy: -1646.149 where: short stacking energy: -695.841 Base-Backbone interact. energy: -5.200 local terms energy: -754.998187 where: bonds (distance) C4'-P energy: -145.918 bonds (distance) P-C4' energy: -131.625 flat angles C4'-P-C4' energy: -150.864 flat angles P-C4'-P energy: -111.482 tors. eta vs tors. theta energy: -215.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2424.718364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.718364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.718364 (E_RNA) where: Base-Base interactions energy: -1684.085 where: short stacking energy: -713.049 Base-Backbone interact. energy: -0.764 local terms energy: -739.869383 where: bonds (distance) C4'-P energy: -122.757 bonds (distance) P-C4' energy: -129.537 flat angles C4'-P-C4' energy: -166.089 flat angles P-C4'-P energy: -102.899 tors. eta vs tors. theta energy: -218.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2233.695601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.695601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.695601 (E_RNA) where: Base-Base interactions energy: -1558.272 where: short stacking energy: -687.997 Base-Backbone interact. energy: 4.011 local terms energy: -679.435351 where: bonds (distance) C4'-P energy: -103.175 bonds (distance) P-C4' energy: -145.066 flat angles C4'-P-C4' energy: -141.872 flat angles P-C4'-P energy: -87.574 tors. eta vs tors. theta energy: -201.748 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: 5, replica: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2125.079407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.079407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.079407 (E_RNA) where: Base-Base interactions energy: -1451.765 where: short stacking energy: -633.103 Base-Backbone interact. energy: -3.040 local terms energy: -670.274170 where: bonds (distance) C4'-P energy: -104.223 bonds (distance) P-C4' energy: -128.774 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -98.861 tors. eta vs tors. theta energy: -190.566 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: 62 Temperature: 1.150000 Total energy: -1888.615219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.615219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.615219 (E_RNA) where: Base-Base interactions energy: -1311.257 where: short stacking energy: -586.420 Base-Backbone interact. energy: 6.174 local terms energy: -583.532563 where: bonds (distance) C4'-P energy: -116.386 bonds (distance) P-C4' energy: -112.445 flat angles C4'-P-C4' energy: -121.388 flat angles P-C4'-P energy: -81.579 tors. eta vs tors. theta energy: -151.734 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: 62 Temperature: 1.200000 Total energy: -1833.739535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.739535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.739535 (E_RNA) where: Base-Base interactions energy: -1259.371 where: short stacking energy: -534.535 Base-Backbone interact. energy: 0.999 local terms energy: -575.367815 where: bonds (distance) C4'-P energy: -114.582 bonds (distance) P-C4' energy: -103.994 flat angles C4'-P-C4' energy: -122.790 flat angles P-C4'-P energy: -87.205 tors. eta vs tors. theta energy: -146.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1597.834812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.834812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.834812 (E_RNA) where: Base-Base interactions energy: -1086.222 where: short stacking energy: -472.879 Base-Backbone interact. energy: 2.719 local terms energy: -514.331944 where: bonds (distance) C4'-P energy: -112.788 bonds (distance) P-C4' energy: -111.668 flat angles C4'-P-C4' energy: -115.552 flat angles P-C4'-P energy: -64.918 tors. eta vs tors. theta energy: -109.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1237.861890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.861890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.861890 (E_RNA) where: Base-Base interactions energy: -785.002 where: short stacking energy: -348.186 Base-Backbone interact. energy: -2.671 local terms energy: -450.188799 where: bonds (distance) C4'-P energy: -95.999 bonds (distance) P-C4' energy: -105.751 flat angles C4'-P-C4' energy: -123.874 flat angles P-C4'-P energy: -65.913 tors. eta vs tors. theta energy: -58.652 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: 62 Temperature: 1.350000 Total energy: -1045.153269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.153269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.153269 (E_RNA) where: Base-Base interactions energy: -619.860 where: short stacking energy: -302.776 Base-Backbone interact. energy: -3.518 local terms energy: -421.775271 where: bonds (distance) C4'-P energy: -99.655 bonds (distance) P-C4' energy: -108.177 flat angles C4'-P-C4' energy: -117.167 flat angles P-C4'-P energy: -58.825 tors. eta vs tors. theta energy: -37.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2552.154146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.154146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.154146 (E_RNA) where: Base-Base interactions energy: -1810.905 where: short stacking energy: -743.568 Base-Backbone interact. energy: -1.113 local terms energy: -740.136178 where: bonds (distance) C4'-P energy: -130.923 bonds (distance) P-C4' energy: -134.948 flat angles C4'-P-C4' energy: -151.692 flat angles P-C4'-P energy: -111.942 tors. eta vs tors. theta energy: -210.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2461.922033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.922033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.922033 (E_RNA) where: Base-Base interactions energy: -1707.718 where: short stacking energy: -720.744 Base-Backbone interact. energy: -0.633 local terms energy: -753.570450 where: bonds (distance) C4'-P energy: -127.656 bonds (distance) P-C4' energy: -135.629 flat angles C4'-P-C4' energy: -162.754 flat angles P-C4'-P energy: -105.781 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: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2351.824790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.824790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.824790 (E_RNA) where: Base-Base interactions energy: -1641.390 where: short stacking energy: -697.216 Base-Backbone interact. energy: -2.210 local terms energy: -708.224721 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -129.419 flat angles C4'-P-C4' energy: -151.567 flat angles P-C4'-P energy: -96.006 tors. eta vs tors. theta energy: -203.631 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: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2309.097554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.097554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.097554 (E_RNA) where: Base-Base interactions energy: -1628.432 where: short stacking energy: -691.626 Base-Backbone interact. energy: -3.382 local terms energy: -677.283988 where: bonds (distance) C4'-P energy: -116.742 bonds (distance) P-C4' energy: -113.356 flat angles C4'-P-C4' energy: -147.278 flat angles P-C4'-P energy: -97.616 tors. eta vs tors. theta energy: -202.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2147.999986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.999986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.999986 (E_RNA) where: Base-Base interactions energy: -1508.838 where: short stacking energy: -651.825 Base-Backbone interact. energy: 4.185 local terms energy: -643.346497 where: bonds (distance) C4'-P energy: -102.333 bonds (distance) P-C4' energy: -130.520 flat angles C4'-P-C4' energy: -136.509 flat angles P-C4'-P energy: -87.374 tors. eta vs tors. theta energy: -186.610 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: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1887.797108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.797108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.797108 (E_RNA) where: Base-Base interactions energy: -1284.937 where: short stacking energy: -558.474 Base-Backbone interact. energy: -0.108 local terms energy: -602.752498 where: bonds (distance) C4'-P energy: -100.852 bonds (distance) P-C4' energy: -133.887 flat angles C4'-P-C4' energy: -121.519 flat angles P-C4'-P energy: -91.380 tors. eta vs tors. theta energy: -155.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1899.131450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.131450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.131450 (E_RNA) where: Base-Base interactions energy: -1330.677 where: short stacking energy: -554.495 Base-Backbone interact. energy: -1.957 local terms energy: -566.497154 where: bonds (distance) C4'-P energy: -111.888 bonds (distance) P-C4' energy: -115.307 flat angles C4'-P-C4' energy: -128.480 flat angles P-C4'-P energy: -66.395 tors. eta vs tors. theta energy: -144.427 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: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1614.154737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.154737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.154737 (E_RNA) where: Base-Base interactions energy: -1070.998 where: short stacking energy: -463.976 Base-Backbone interact. energy: -3.195 local terms energy: -539.962070 where: bonds (distance) C4'-P energy: -106.748 bonds (distance) P-C4' energy: -107.963 flat angles C4'-P-C4' energy: -132.450 flat angles P-C4'-P energy: -75.536 tors. eta vs tors. theta energy: -117.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1226.153973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.153973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.153973 (E_RNA) where: Base-Base interactions energy: -773.453 where: short stacking energy: -330.402 Base-Backbone interact. energy: 2.345 local terms energy: -455.046146 where: bonds (distance) C4'-P energy: -116.377 bonds (distance) P-C4' energy: -121.954 flat angles C4'-P-C4' energy: -103.676 flat angles P-C4'-P energy: -56.436 tors. eta vs tors. theta energy: -56.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1024.005841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.005841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.005841 (E_RNA) where: Base-Base interactions energy: -609.368 where: short stacking energy: -301.866 Base-Backbone interact. energy: -0.643 local terms energy: -413.995064 where: bonds (distance) C4'-P energy: -100.323 bonds (distance) P-C4' energy: -123.115 flat angles C4'-P-C4' energy: -90.982 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -48.183 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: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2599.068527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.068527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.068527 (E_RNA) where: Base-Base interactions energy: -1855.986 where: short stacking energy: -764.516 Base-Backbone interact. energy: -1.758 local terms energy: -741.323786 where: bonds (distance) C4'-P energy: -127.954 bonds (distance) P-C4' energy: -137.941 flat angles C4'-P-C4' energy: -156.434 flat angles P-C4'-P energy: -105.702 tors. eta vs tors. theta energy: -213.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2430.767934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.767934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.767934 (E_RNA) where: Base-Base interactions energy: -1715.647 where: short stacking energy: -709.706 Base-Backbone interact. energy: 3.430 local terms energy: -718.550617 where: bonds (distance) C4'-P energy: -119.218 bonds (distance) P-C4' energy: -132.732 flat angles C4'-P-C4' energy: -147.681 flat angles P-C4'-P energy: -105.115 tors. eta vs tors. theta energy: -213.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2350.794007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.794007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.794007 (E_RNA) where: Base-Base interactions energy: -1644.015 where: short stacking energy: -700.417 Base-Backbone interact. energy: -3.622 local terms energy: -703.157044 where: bonds (distance) C4'-P energy: -112.490 bonds (distance) P-C4' energy: -131.300 flat angles C4'-P-C4' energy: -139.575 flat angles P-C4'-P energy: -106.477 tors. eta vs tors. theta energy: -213.315 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: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2301.506160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.506160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.506160 (E_RNA) where: Base-Base interactions energy: -1607.420 where: short stacking energy: -687.765 Base-Backbone interact. energy: -1.686 local terms energy: -692.400817 where: bonds (distance) C4'-P energy: -134.548 bonds (distance) P-C4' energy: -111.386 flat angles C4'-P-C4' energy: -148.687 flat angles P-C4'-P energy: -94.860 tors. eta vs tors. theta energy: -202.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2109.433660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.433660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.433660 (E_RNA) where: Base-Base interactions energy: -1467.297 where: short stacking energy: -630.940 Base-Backbone interact. energy: -3.812 local terms energy: -638.324901 where: bonds (distance) C4'-P energy: -111.955 bonds (distance) P-C4' energy: -120.616 flat angles C4'-P-C4' energy: -140.520 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -171.353 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: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1892.730937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.730937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.730937 (E_RNA) where: Base-Base interactions energy: -1292.137 where: short stacking energy: -561.966 Base-Backbone interact. energy: -2.421 local terms energy: -598.173084 where: bonds (distance) C4'-P energy: -102.973 bonds (distance) P-C4' energy: -117.986 flat angles C4'-P-C4' energy: -140.319 flat angles P-C4'-P energy: -87.516 tors. eta vs tors. theta energy: -149.380 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: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1948.817820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.817820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.817820 (E_RNA) where: Base-Base interactions energy: -1347.894 where: short stacking energy: -548.730 Base-Backbone interact. energy: -3.089 local terms energy: -597.834839 where: bonds (distance) C4'-P energy: -110.697 bonds (distance) P-C4' energy: -129.910 flat angles C4'-P-C4' energy: -138.587 flat angles P-C4'-P energy: -68.337 tors. eta vs tors. theta energy: -150.305 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: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1624.782171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.782171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.782171 (E_RNA) where: Base-Base interactions energy: -1116.222 where: short stacking energy: -486.314 Base-Backbone interact. energy: -0.447 local terms energy: -508.113117 where: bonds (distance) C4'-P energy: -97.567 bonds (distance) P-C4' energy: -95.516 flat angles C4'-P-C4' energy: -113.101 flat angles P-C4'-P energy: -74.007 tors. eta vs tors. theta energy: -127.923 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: 64 Temperature: 1.300000 Total energy: -1235.122276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.122276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.122276 (E_RNA) where: Base-Base interactions energy: -767.213 where: short stacking energy: -342.059 Base-Backbone interact. energy: -0.789 local terms energy: -467.119857 where: bonds (distance) C4'-P energy: -114.605 bonds (distance) P-C4' energy: -121.038 flat angles C4'-P-C4' energy: -108.027 flat angles P-C4'-P energy: -66.188 tors. eta vs tors. theta energy: -57.262 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: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -972.227944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.227944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.227944 (E_RNA) where: Base-Base interactions energy: -590.583 where: short stacking energy: -259.595 Base-Backbone interact. energy: -1.313 local terms energy: -380.331516 where: bonds (distance) C4'-P energy: -93.590 bonds (distance) P-C4' energy: -116.458 flat angles C4'-P-C4' energy: -96.303 flat angles P-C4'-P energy: -45.024 tors. eta vs tors. theta energy: -28.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2597.836993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.836993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.836993 (E_RNA) where: Base-Base interactions energy: -1868.784 where: short stacking energy: -744.707 Base-Backbone interact. energy: 0.063 local terms energy: -729.116119 where: bonds (distance) C4'-P energy: -119.740 bonds (distance) P-C4' energy: -129.490 flat angles C4'-P-C4' energy: -161.447 flat angles P-C4'-P energy: -100.281 tors. eta vs tors. theta energy: -218.158 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: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2445.112082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.112082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.112082 (E_RNA) where: Base-Base interactions energy: -1707.808 where: short stacking energy: -714.182 Base-Backbone interact. energy: -1.375 local terms energy: -735.929417 where: bonds (distance) C4'-P energy: -139.098 bonds (distance) P-C4' energy: -136.230 flat angles C4'-P-C4' energy: -146.564 flat angles P-C4'-P energy: -107.171 tors. eta vs tors. theta energy: -206.867 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: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2341.194593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.194593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.194593 (E_RNA) where: Base-Base interactions energy: -1659.394 where: short stacking energy: -679.380 Base-Backbone interact. energy: -0.770 local terms energy: -681.030544 where: bonds (distance) C4'-P energy: -118.295 bonds (distance) P-C4' energy: -126.827 flat angles C4'-P-C4' energy: -137.857 flat angles P-C4'-P energy: -93.262 tors. eta vs tors. theta energy: -204.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2348.855429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.855429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.855429 (E_RNA) where: Base-Base interactions energy: -1663.064 where: short stacking energy: -704.268 Base-Backbone interact. energy: -0.597 local terms energy: -685.194742 where: bonds (distance) C4'-P energy: -117.597 bonds (distance) P-C4' energy: -123.867 flat angles C4'-P-C4' energy: -147.560 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -199.016 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: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2117.937516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.937516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.937516 (E_RNA) where: Base-Base interactions energy: -1463.915 where: short stacking energy: -634.268 Base-Backbone interact. energy: -1.311 local terms energy: -652.711555 where: bonds (distance) C4'-P energy: -114.426 bonds (distance) P-C4' energy: -123.794 flat angles C4'-P-C4' energy: -140.691 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: -193.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2060.292013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.292013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.292013 (E_RNA) where: Base-Base interactions energy: -1449.305 where: short stacking energy: -605.948 Base-Backbone interact. energy: -1.597 local terms energy: -609.389945 where: bonds (distance) C4'-P energy: -91.844 bonds (distance) P-C4' energy: -123.004 flat angles C4'-P-C4' energy: -133.246 flat angles P-C4'-P energy: -82.885 tors. eta vs tors. theta energy: -178.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1802.914939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.914939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.914939 (E_RNA) where: Base-Base interactions energy: -1207.673 where: short stacking energy: -530.660 Base-Backbone interact. energy: -1.403 local terms energy: -593.839011 where: bonds (distance) C4'-P energy: -114.226 bonds (distance) P-C4' energy: -112.101 flat angles C4'-P-C4' energy: -128.520 flat angles P-C4'-P energy: -89.668 tors. eta vs tors. theta energy: -149.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1641.901452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.901452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.901452 (E_RNA) where: Base-Base interactions energy: -1123.474 where: short stacking energy: -453.045 Base-Backbone interact. energy: -3.977 local terms energy: -514.451218 where: bonds (distance) C4'-P energy: -108.711 bonds (distance) P-C4' energy: -102.661 flat angles C4'-P-C4' energy: -117.780 flat angles P-C4'-P energy: -72.315 tors. eta vs tors. theta energy: -112.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1170.860785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.860785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.860785 (E_RNA) where: Base-Base interactions energy: -725.259 where: short stacking energy: -332.296 Base-Backbone interact. energy: 0.481 local terms energy: -446.082476 where: bonds (distance) C4'-P energy: -108.050 bonds (distance) P-C4' energy: -112.885 flat angles C4'-P-C4' energy: -95.645 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -59.543 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: 65 Temperature: 1.350000 Total energy: -1007.793419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.793419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.793419 (E_RNA) where: Base-Base interactions energy: -592.578 where: short stacking energy: -270.462 Base-Backbone interact. energy: -0.219 local terms energy: -414.996592 where: bonds (distance) C4'-P energy: -124.090 bonds (distance) P-C4' energy: -105.354 flat angles C4'-P-C4' energy: -99.342 flat angles P-C4'-P energy: -67.031 tors. eta vs tors. theta energy: -19.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2598.536575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.536575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.536575 (E_RNA) where: Base-Base interactions energy: -1854.055 where: short stacking energy: -736.992 Base-Backbone interact. energy: -1.412 local terms energy: -743.069392 where: bonds (distance) C4'-P energy: -120.549 bonds (distance) P-C4' energy: -138.760 flat angles C4'-P-C4' energy: -154.235 flat angles P-C4'-P energy: -114.303 tors. eta vs tors. theta energy: -215.222 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: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2438.079902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.079902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.079902 (E_RNA) where: Base-Base interactions energy: -1725.315 where: short stacking energy: -731.198 Base-Backbone interact. energy: -2.100 local terms energy: -710.665341 where: bonds (distance) C4'-P energy: -120.514 bonds (distance) P-C4' energy: -119.893 flat angles C4'-P-C4' energy: -159.739 flat angles P-C4'-P energy: -98.519 tors. eta vs tors. theta energy: -212.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2324.020789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.020789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.020789 (E_RNA) where: Base-Base interactions energy: -1625.114 where: short stacking energy: -696.659 Base-Backbone interact. energy: -3.245 local terms energy: -695.661578 where: bonds (distance) C4'-P energy: -108.372 bonds (distance) P-C4' energy: -128.983 flat angles C4'-P-C4' energy: -149.098 flat angles P-C4'-P energy: -104.199 tors. eta vs tors. theta energy: -205.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2324.525172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.525172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.525172 (E_RNA) where: Base-Base interactions energy: -1647.047 where: short stacking energy: -686.645 Base-Backbone interact. energy: -1.778 local terms energy: -675.699562 where: bonds (distance) C4'-P energy: -123.676 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -151.651 flat angles P-C4'-P energy: -98.618 tors. eta vs tors. theta energy: -197.967 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: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2203.109442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.109442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.109442 (E_RNA) where: Base-Base interactions energy: -1539.931 where: short stacking energy: -650.038 Base-Backbone interact. energy: -1.542 local terms energy: -661.636347 where: bonds (distance) C4'-P energy: -107.983 bonds (distance) P-C4' energy: -114.862 flat angles C4'-P-C4' energy: -153.095 flat angles P-C4'-P energy: -87.511 tors. eta vs tors. theta energy: -198.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1996.673004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.673004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.673004 (E_RNA) where: Base-Base interactions energy: -1358.554 where: short stacking energy: -595.320 Base-Backbone interact. energy: -1.585 local terms energy: -636.533422 where: bonds (distance) C4'-P energy: -131.275 bonds (distance) P-C4' energy: -117.527 flat angles C4'-P-C4' energy: -139.241 flat angles P-C4'-P energy: -93.839 tors. eta vs tors. theta energy: -154.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1777.414403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.414403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.414403 (E_RNA) where: Base-Base interactions energy: -1192.995 where: short stacking energy: -493.338 Base-Backbone interact. energy: 0.995 local terms energy: -585.414849 where: bonds (distance) C4'-P energy: -97.423 bonds (distance) P-C4' energy: -124.898 flat angles C4'-P-C4' energy: -139.908 flat angles P-C4'-P energy: -77.762 tors. eta vs tors. theta energy: -145.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1662.920857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.920857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.920857 (E_RNA) where: Base-Base interactions energy: -1135.930 where: short stacking energy: -506.461 Base-Backbone interact. energy: -1.872 local terms energy: -525.118047 where: bonds (distance) C4'-P energy: -101.532 bonds (distance) P-C4' energy: -116.136 flat angles C4'-P-C4' energy: -126.329 flat angles P-C4'-P energy: -59.751 tors. eta vs tors. theta energy: -121.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1215.495365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.495365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.495365 (E_RNA) where: Base-Base interactions energy: -767.480 where: short stacking energy: -346.059 Base-Backbone interact. energy: 0.534 local terms energy: -448.548767 where: bonds (distance) C4'-P energy: -96.729 bonds (distance) P-C4' energy: -122.885 flat angles C4'-P-C4' energy: -93.958 flat angles P-C4'-P energy: -69.976 tors. eta vs tors. theta energy: -65.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -985.022851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.022851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.022851 (E_RNA) where: Base-Base interactions energy: -576.898 where: short stacking energy: -278.129 Base-Backbone interact. energy: -4.108 local terms energy: -404.016335 where: bonds (distance) C4'-P energy: -90.678 bonds (distance) P-C4' energy: -117.820 flat angles C4'-P-C4' energy: -109.886 flat angles P-C4'-P energy: -61.672 tors. eta vs tors. theta energy: -23.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2562.504020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.504020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.504020 (E_RNA) where: Base-Base interactions energy: -1820.230 where: short stacking energy: -721.485 Base-Backbone interact. energy: -3.615 local terms energy: -738.658945 where: bonds (distance) C4'-P energy: -128.830 bonds (distance) P-C4' energy: -130.588 flat angles C4'-P-C4' energy: -151.720 flat angles P-C4'-P energy: -111.114 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: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2459.233586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.233586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.233586 (E_RNA) where: Base-Base interactions energy: -1726.905 where: short stacking energy: -728.523 Base-Backbone interact. energy: -2.805 local terms energy: -729.523754 where: bonds (distance) C4'-P energy: -131.849 bonds (distance) P-C4' energy: -141.182 flat angles C4'-P-C4' energy: -146.486 flat angles P-C4'-P energy: -105.110 tors. eta vs tors. theta energy: -204.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2341.980700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.980700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.980700 (E_RNA) where: Base-Base interactions energy: -1646.252 where: short stacking energy: -703.087 Base-Backbone interact. energy: -1.343 local terms energy: -694.385077 where: bonds (distance) C4'-P energy: -120.035 bonds (distance) P-C4' energy: -108.726 flat angles C4'-P-C4' energy: -165.461 flat angles P-C4'-P energy: -99.939 tors. eta vs tors. theta energy: -200.224 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: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2292.961864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.961864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.961864 (E_RNA) where: Base-Base interactions energy: -1592.427 where: short stacking energy: -687.365 Base-Backbone interact. energy: -2.342 local terms energy: -698.193021 where: bonds (distance) C4'-P energy: -137.257 bonds (distance) P-C4' energy: -131.698 flat angles C4'-P-C4' energy: -149.203 flat angles P-C4'-P energy: -83.842 tors. eta vs tors. theta energy: -196.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2212.970613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.970613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.970613 (E_RNA) where: Base-Base interactions energy: -1562.560 where: short stacking energy: -676.427 Base-Backbone interact. energy: 1.801 local terms energy: -652.211890 where: bonds (distance) C4'-P energy: -116.535 bonds (distance) P-C4' energy: -88.803 flat angles C4'-P-C4' energy: -147.982 flat angles P-C4'-P energy: -95.742 tors. eta vs tors. theta energy: -203.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2018.268803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.268803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.268803 (E_RNA) where: Base-Base interactions energy: -1379.948 where: short stacking energy: -602.598 Base-Backbone interact. energy: -1.469 local terms energy: -636.852437 where: bonds (distance) C4'-P energy: -115.935 bonds (distance) P-C4' energy: -125.562 flat angles C4'-P-C4' energy: -144.336 flat angles P-C4'-P energy: -77.716 tors. eta vs tors. theta energy: -173.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1785.045928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.045928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.045928 (E_RNA) where: Base-Base interactions energy: -1222.153 where: short stacking energy: -513.871 Base-Backbone interact. energy: -3.296 local terms energy: -559.597614 where: bonds (distance) C4'-P energy: -113.292 bonds (distance) P-C4' energy: -108.304 flat angles C4'-P-C4' energy: -136.136 flat angles P-C4'-P energy: -76.961 tors. eta vs tors. theta energy: -124.905 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: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1674.528879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.528879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.528879 (E_RNA) where: Base-Base interactions energy: -1124.515 where: short stacking energy: -494.133 Base-Backbone interact. energy: -4.778 local terms energy: -545.236217 where: bonds (distance) C4'-P energy: -114.205 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -113.225 flat angles P-C4'-P energy: -82.225 tors. eta vs tors. theta energy: -121.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1179.867306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.867306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.867306 (E_RNA) where: Base-Base interactions energy: -741.814 where: short stacking energy: -343.097 Base-Backbone interact. energy: -0.314 local terms energy: -437.738982 where: bonds (distance) C4'-P energy: -114.949 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -109.277 flat angles P-C4'-P energy: -64.364 tors. eta vs tors. theta energy: -46.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -937.789395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.789395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.789395 (E_RNA) where: Base-Base interactions energy: -539.633 where: short stacking energy: -280.543 Base-Backbone interact. energy: 1.498 local terms energy: -399.654560 where: bonds (distance) C4'-P energy: -101.684 bonds (distance) P-C4' energy: -116.534 flat angles C4'-P-C4' energy: -102.448 flat angles P-C4'-P energy: -59.120 tors. eta vs tors. theta energy: -19.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2605.500784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.500784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.500784 (E_RNA) where: Base-Base interactions energy: -1867.076 where: short stacking energy: -733.172 Base-Backbone interact. energy: -3.365 local terms energy: -735.059481 where: bonds (distance) C4'-P energy: -124.856 bonds (distance) P-C4' energy: -131.011 flat angles C4'-P-C4' energy: -150.969 flat angles P-C4'-P energy: -116.913 tors. eta vs tors. theta energy: -211.309 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: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2438.431125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.431125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.431125 (E_RNA) where: Base-Base interactions energy: -1713.085 where: short stacking energy: -704.050 Base-Backbone interact. energy: -0.831 local terms energy: -724.515667 where: bonds (distance) C4'-P energy: -133.073 bonds (distance) P-C4' energy: -132.051 flat angles C4'-P-C4' energy: -153.228 flat angles P-C4'-P energy: -103.994 tors. eta vs tors. theta energy: -202.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2309.335620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.335620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.335620 (E_RNA) where: Base-Base interactions energy: -1606.959 where: short stacking energy: -667.175 Base-Backbone interact. energy: -3.338 local terms energy: -699.038876 where: bonds (distance) C4'-P energy: -124.476 bonds (distance) P-C4' energy: -120.533 flat angles C4'-P-C4' energy: -146.447 flat angles P-C4'-P energy: -101.099 tors. eta vs tors. theta energy: -206.484 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: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2308.042854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.042854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.042854 (E_RNA) where: Base-Base interactions energy: -1628.729 where: short stacking energy: -690.684 Base-Backbone interact. energy: -1.772 local terms energy: -677.542047 where: bonds (distance) C4'-P energy: -125.643 bonds (distance) P-C4' energy: -130.208 flat angles C4'-P-C4' energy: -135.779 flat angles P-C4'-P energy: -82.488 tors. eta vs tors. theta energy: -203.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2278.027405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.027405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.027405 (E_RNA) where: Base-Base interactions energy: -1580.656 where: short stacking energy: -681.844 Base-Backbone interact. energy: 3.641 local terms energy: -701.012815 where: bonds (distance) C4'-P energy: -104.813 bonds (distance) P-C4' energy: -120.310 flat angles C4'-P-C4' energy: -161.181 flat angles P-C4'-P energy: -97.329 tors. eta vs tors. theta energy: -217.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1966.171917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.171917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.171917 (E_RNA) where: Base-Base interactions energy: -1353.772 where: short stacking energy: -566.292 Base-Backbone interact. energy: -1.706 local terms energy: -610.693697 where: bonds (distance) C4'-P energy: -129.268 bonds (distance) P-C4' energy: -110.716 flat angles C4'-P-C4' energy: -131.378 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -165.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1730.921391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.921391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.921391 (E_RNA) where: Base-Base interactions energy: -1205.113 where: short stacking energy: -524.023 Base-Backbone interact. energy: 0.900 local terms energy: -526.708953 where: bonds (distance) C4'-P energy: -103.953 bonds (distance) P-C4' energy: -114.341 flat angles C4'-P-C4' energy: -104.252 flat angles P-C4'-P energy: -65.245 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: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1614.111361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.111361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.111361 (E_RNA) where: Base-Base interactions energy: -1078.333 where: short stacking energy: -478.177 Base-Backbone interact. energy: -0.889 local terms energy: -534.888838 where: bonds (distance) C4'-P energy: -104.107 bonds (distance) P-C4' energy: -118.087 flat angles C4'-P-C4' energy: -119.566 flat angles P-C4'-P energy: -74.599 tors. eta vs tors. theta energy: -118.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1116.476725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.476725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.476725 (E_RNA) where: Base-Base interactions energy: -654.544 where: short stacking energy: -339.770 Base-Backbone interact. energy: 1.416 local terms energy: -463.348660 where: bonds (distance) C4'-P energy: -95.710 bonds (distance) P-C4' energy: -121.915 flat angles C4'-P-C4' energy: -121.782 flat angles P-C4'-P energy: -63.165 tors. eta vs tors. theta energy: -60.777 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: 68 Temperature: 1.350000 Total energy: -918.511172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.511172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.511172 (E_RNA) where: Base-Base interactions energy: -553.190 where: short stacking energy: -269.071 Base-Backbone interact. energy: 5.722 local terms energy: -371.043201 where: bonds (distance) C4'-P energy: -108.484 bonds (distance) P-C4' energy: -103.476 flat angles C4'-P-C4' energy: -94.430 flat angles P-C4'-P energy: -41.244 tors. eta vs tors. theta energy: -23.409 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: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2613.334099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.334099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.334099 (E_RNA) where: Base-Base interactions energy: -1874.536 where: short stacking energy: -726.029 Base-Backbone interact. energy: -5.738 local terms energy: -733.059994 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -144.716 flat angles P-C4'-P energy: -103.259 tors. eta vs tors. theta energy: -211.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2404.392355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.392355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.392355 (E_RNA) where: Base-Base interactions energy: -1689.360 where: short stacking energy: -701.927 Base-Backbone interact. energy: -0.996 local terms energy: -714.035948 where: bonds (distance) C4'-P energy: -133.013 bonds (distance) P-C4' energy: -135.378 flat angles C4'-P-C4' energy: -142.095 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -201.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2337.841233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.841233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.841233 (E_RNA) where: Base-Base interactions energy: -1613.044 where: short stacking energy: -683.906 Base-Backbone interact. energy: -2.734 local terms energy: -722.063275 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -144.538 flat angles C4'-P-C4' energy: -154.316 flat angles P-C4'-P energy: -97.934 tors. eta vs tors. theta energy: -203.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2327.628751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.628751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.628751 (E_RNA) where: Base-Base interactions energy: -1639.587 where: short stacking energy: -667.193 Base-Backbone interact. energy: 0.400 local terms energy: -688.441528 where: bonds (distance) C4'-P energy: -112.531 bonds (distance) P-C4' energy: -115.067 flat angles C4'-P-C4' energy: -158.372 flat angles P-C4'-P energy: -102.534 tors. eta vs tors. theta energy: -199.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2234.326045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.326045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.326045 (E_RNA) where: Base-Base interactions energy: -1547.435 where: short stacking energy: -633.026 Base-Backbone interact. energy: -1.596 local terms energy: -685.295528 where: bonds (distance) C4'-P energy: -122.923 bonds (distance) P-C4' energy: -133.261 flat angles C4'-P-C4' energy: -143.310 flat angles P-C4'-P energy: -98.514 tors. eta vs tors. theta energy: -187.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1955.757705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.757705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.757705 (E_RNA) where: Base-Base interactions energy: -1354.238 where: short stacking energy: -554.451 Base-Backbone interact. energy: 2.085 local terms energy: -603.605376 where: bonds (distance) C4'-P energy: -120.431 bonds (distance) P-C4' energy: -120.870 flat angles C4'-P-C4' energy: -121.920 flat angles P-C4'-P energy: -83.745 tors. eta vs tors. theta energy: -156.640 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: 69 Temperature: 1.200000 Total energy: -1694.785107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.785107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.785107 (E_RNA) where: Base-Base interactions energy: -1171.944 where: short stacking energy: -511.985 Base-Backbone interact. energy: -1.740 local terms energy: -521.100713 where: bonds (distance) C4'-P energy: -101.623 bonds (distance) P-C4' energy: -103.407 flat angles C4'-P-C4' energy: -108.530 flat angles P-C4'-P energy: -76.748 tors. eta vs tors. theta energy: -130.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1614.535993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.535993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.535993 (E_RNA) where: Base-Base interactions energy: -1110.836 where: short stacking energy: -466.994 Base-Backbone interact. energy: -3.830 local terms energy: -499.870162 where: bonds (distance) C4'-P energy: -88.829 bonds (distance) P-C4' energy: -100.892 flat angles C4'-P-C4' energy: -122.163 flat angles P-C4'-P energy: -70.448 tors. eta vs tors. theta energy: -117.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1127.691115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.691115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.691115 (E_RNA) where: Base-Base interactions energy: -648.242 where: short stacking energy: -312.408 Base-Backbone interact. energy: 0.499 local terms energy: -479.948697 where: bonds (distance) C4'-P energy: -108.979 bonds (distance) P-C4' energy: -123.252 flat angles C4'-P-C4' energy: -113.317 flat angles P-C4'-P energy: -85.272 tors. eta vs tors. theta energy: -49.129 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: 69 Temperature: 1.350000 Total energy: -919.303913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.303913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.303913 (E_RNA) where: Base-Base interactions energy: -550.014 where: short stacking energy: -268.854 Base-Backbone interact. energy: 6.525 local terms energy: -375.814790 where: bonds (distance) C4'-P energy: -108.000 bonds (distance) P-C4' energy: -109.049 flat angles C4'-P-C4' energy: -75.616 flat angles P-C4'-P energy: -66.010 tors. eta vs tors. theta energy: -17.139 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: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2600.177820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.177820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.177820 (E_RNA) where: Base-Base interactions energy: -1840.780 where: short stacking energy: -740.295 Base-Backbone interact. energy: 2.495 local terms energy: -761.893120 where: bonds (distance) C4'-P energy: -132.731 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -160.018 flat angles P-C4'-P energy: -121.589 tors. eta vs tors. theta energy: -212.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2445.773164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.773164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.773164 (E_RNA) where: Base-Base interactions energy: -1722.034 where: short stacking energy: -712.464 Base-Backbone interact. energy: -1.684 local terms energy: -722.055772 where: bonds (distance) C4'-P energy: -123.145 bonds (distance) P-C4' energy: -137.663 flat angles C4'-P-C4' energy: -148.690 flat angles P-C4'-P energy: -106.968 tors. eta vs tors. theta energy: -205.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2363.679024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.679024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.679024 (E_RNA) where: Base-Base interactions energy: -1634.778 where: short stacking energy: -671.254 Base-Backbone interact. energy: -2.118 local terms energy: -726.783368 where: bonds (distance) C4'-P energy: -133.388 bonds (distance) P-C4' energy: -127.616 flat angles C4'-P-C4' energy: -162.654 flat angles P-C4'-P energy: -89.019 tors. eta vs tors. theta energy: -214.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2270.840799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.840799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.840799 (E_RNA) where: Base-Base interactions energy: -1578.427 where: short stacking energy: -683.646 Base-Backbone interact. energy: -2.437 local terms energy: -689.976896 where: bonds (distance) C4'-P energy: -132.273 bonds (distance) P-C4' energy: -110.681 flat angles C4'-P-C4' energy: -148.752 flat angles P-C4'-P energy: -93.614 tors. eta vs tors. theta energy: -204.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2185.874423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.874423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.874423 (E_RNA) where: Base-Base interactions energy: -1509.361 where: short stacking energy: -627.641 Base-Backbone interact. energy: -0.559 local terms energy: -675.954806 where: bonds (distance) C4'-P energy: -124.170 bonds (distance) P-C4' energy: -135.864 flat angles C4'-P-C4' energy: -129.955 flat angles P-C4'-P energy: -94.181 tors. eta vs tors. theta energy: -191.784 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: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1948.975406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.975406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.975406 (E_RNA) where: Base-Base interactions energy: -1364.054 where: short stacking energy: -572.571 Base-Backbone interact. energy: 0.772 local terms energy: -585.693581 where: bonds (distance) C4'-P energy: -106.038 bonds (distance) P-C4' energy: -110.829 flat angles C4'-P-C4' energy: -129.703 flat angles P-C4'-P energy: -92.139 tors. eta vs tors. theta energy: -146.985 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: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1725.160857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.160857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.160857 (E_RNA) where: Base-Base interactions energy: -1192.820 where: short stacking energy: -510.786 Base-Backbone interact. energy: 8.225 local terms energy: -540.565630 where: bonds (distance) C4'-P energy: -100.869 bonds (distance) P-C4' energy: -99.449 flat angles C4'-P-C4' energy: -119.309 flat angles P-C4'-P energy: -83.339 tors. eta vs tors. theta energy: -137.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1689.572314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.572314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.572314 (E_RNA) where: Base-Base interactions energy: -1153.320 where: short stacking energy: -484.012 Base-Backbone interact. energy: 0.402 local terms energy: -536.655144 where: bonds (distance) C4'-P energy: -101.002 bonds (distance) P-C4' energy: -129.740 flat angles C4'-P-C4' energy: -118.963 flat angles P-C4'-P energy: -76.872 tors. eta vs tors. theta energy: -110.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1154.892178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.892178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.892178 (E_RNA) where: Base-Base interactions energy: -712.686 where: short stacking energy: -341.882 Base-Backbone interact. energy: -0.584 local terms energy: -441.621721 where: bonds (distance) C4'-P energy: -109.601 bonds (distance) P-C4' energy: -102.665 flat angles C4'-P-C4' energy: -118.294 flat angles P-C4'-P energy: -60.541 tors. eta vs tors. theta energy: -50.521 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: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -942.287159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.287159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.287159 (E_RNA) where: Base-Base interactions energy: -554.685 where: short stacking energy: -274.537 Base-Backbone interact. energy: -2.502 local terms energy: -385.099989 where: bonds (distance) C4'-P energy: -93.807 bonds (distance) P-C4' energy: -107.617 flat angles C4'-P-C4' energy: -94.308 flat angles P-C4'-P energy: -63.239 tors. eta vs tors. theta energy: -26.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2579.546763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.546763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.546763 (E_RNA) where: Base-Base interactions energy: -1853.198 where: short stacking energy: -731.942 Base-Backbone interact. energy: -2.226 local terms energy: -724.122785 where: bonds (distance) C4'-P energy: -125.266 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -153.457 flat angles P-C4'-P energy: -105.834 tors. eta vs tors. theta energy: -212.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2450.624219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.624219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.624219 (E_RNA) where: Base-Base interactions energy: -1723.690 where: short stacking energy: -716.378 Base-Backbone interact. energy: -2.195 local terms energy: -724.739891 where: bonds (distance) C4'-P energy: -108.755 bonds (distance) P-C4' energy: -138.638 flat angles C4'-P-C4' energy: -157.592 flat angles P-C4'-P energy: -103.145 tors. eta vs tors. theta energy: -216.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2369.064623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.064623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.064623 (E_RNA) where: Base-Base interactions energy: -1673.160 where: short stacking energy: -688.381 Base-Backbone interact. energy: 1.355 local terms energy: -697.260281 where: bonds (distance) C4'-P energy: -125.578 bonds (distance) P-C4' energy: -133.306 flat angles C4'-P-C4' energy: -140.830 flat angles P-C4'-P energy: -99.032 tors. eta vs tors. theta energy: -198.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2283.662580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.662580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.662580 (E_RNA) where: Base-Base interactions energy: -1604.058 where: short stacking energy: -689.901 Base-Backbone interact. energy: -3.500 local terms energy: -676.104596 where: bonds (distance) C4'-P energy: -118.610 bonds (distance) P-C4' energy: -130.198 flat angles C4'-P-C4' energy: -135.702 flat angles P-C4'-P energy: -81.094 tors. eta vs tors. theta energy: -210.502 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: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2266.567037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.567037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.567037 (E_RNA) where: Base-Base interactions energy: -1592.763 where: short stacking energy: -666.667 Base-Backbone interact. energy: -0.710 local terms energy: -673.094718 where: bonds (distance) C4'-P energy: -129.389 bonds (distance) P-C4' energy: -109.856 flat angles C4'-P-C4' energy: -131.988 flat angles P-C4'-P energy: -93.171 tors. eta vs tors. theta energy: -208.691 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: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1927.693601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.693601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.693601 (E_RNA) where: Base-Base interactions energy: -1319.583 where: short stacking energy: -562.956 Base-Backbone interact. energy: -2.780 local terms energy: -605.330774 where: bonds (distance) C4'-P energy: -109.037 bonds (distance) P-C4' energy: -109.754 flat angles C4'-P-C4' energy: -136.777 flat angles P-C4'-P energy: -88.593 tors. eta vs tors. theta energy: -161.170 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: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1721.050014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.050014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.050014 (E_RNA) where: Base-Base interactions energy: -1149.100 where: short stacking energy: -490.461 Base-Backbone interact. energy: 1.050 local terms energy: -572.999058 where: bonds (distance) C4'-P energy: -114.878 bonds (distance) P-C4' energy: -128.020 flat angles C4'-P-C4' energy: -123.016 flat angles P-C4'-P energy: -80.891 tors. eta vs tors. theta energy: -126.194 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: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1628.518001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.518001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.518001 (E_RNA) where: Base-Base interactions energy: -1107.581 where: short stacking energy: -479.761 Base-Backbone interact. energy: -1.239 local terms energy: -519.698037 where: bonds (distance) C4'-P energy: -116.843 bonds (distance) P-C4' energy: -95.675 flat angles C4'-P-C4' energy: -105.902 flat angles P-C4'-P energy: -80.463 tors. eta vs tors. theta energy: -120.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1177.464122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.464122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.464122 (E_RNA) where: Base-Base interactions energy: -775.476 where: short stacking energy: -358.496 Base-Backbone interact. energy: -3.153 local terms energy: -398.835526 where: bonds (distance) C4'-P energy: -95.723 bonds (distance) P-C4' energy: -96.859 flat angles C4'-P-C4' energy: -95.113 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -56.374 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: 71 Temperature: 1.350000 Total energy: -922.173694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.173694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.173694 (E_RNA) where: Base-Base interactions energy: -501.317 where: short stacking energy: -235.505 Base-Backbone interact. energy: 2.153 local terms energy: -423.010014 where: bonds (distance) C4'-P energy: -121.164 bonds (distance) P-C4' energy: -97.783 flat angles C4'-P-C4' energy: -106.217 flat angles P-C4'-P energy: -76.393 tors. eta vs tors. theta energy: -21.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2597.836561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.836561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.836561 (E_RNA) where: Base-Base interactions energy: -1846.020 where: short stacking energy: -734.175 Base-Backbone interact. energy: -0.235 local terms energy: -751.582351 where: bonds (distance) C4'-P energy: -126.755 bonds (distance) P-C4' energy: -142.135 flat angles C4'-P-C4' energy: -155.545 flat angles P-C4'-P energy: -112.574 tors. eta vs tors. theta energy: -214.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2446.200496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.200496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.200496 (E_RNA) where: Base-Base interactions energy: -1690.059 where: short stacking energy: -709.193 Base-Backbone interact. energy: -2.278 local terms energy: -753.863208 where: bonds (distance) C4'-P energy: -133.339 bonds (distance) P-C4' energy: -140.835 flat angles C4'-P-C4' energy: -158.021 flat angles P-C4'-P energy: -106.173 tors. eta vs tors. theta energy: -215.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2358.213975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.213975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.213975 (E_RNA) where: Base-Base interactions energy: -1651.466 where: short stacking energy: -694.607 Base-Backbone interact. energy: 1.049 local terms energy: -707.796691 where: bonds (distance) C4'-P energy: -122.876 bonds (distance) P-C4' energy: -139.532 flat angles C4'-P-C4' energy: -152.354 flat angles P-C4'-P energy: -97.499 tors. eta vs tors. theta energy: -195.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2271.275191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.275191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.275191 (E_RNA) where: Base-Base interactions energy: -1575.356 where: short stacking energy: -688.178 Base-Backbone interact. energy: -0.789 local terms energy: -695.130272 where: bonds (distance) C4'-P energy: -135.262 bonds (distance) P-C4' energy: -117.307 flat angles C4'-P-C4' energy: -143.059 flat angles P-C4'-P energy: -89.964 tors. eta vs tors. theta energy: -209.539 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: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2172.638341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.638341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.638341 (E_RNA) where: Base-Base interactions energy: -1514.016 where: short stacking energy: -621.507 Base-Backbone interact. energy: -4.393 local terms energy: -654.230036 where: bonds (distance) C4'-P energy: -119.948 bonds (distance) P-C4' energy: -122.730 flat angles C4'-P-C4' energy: -140.763 flat angles P-C4'-P energy: -85.255 tors. eta vs tors. theta energy: -185.535 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: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1904.043807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.043807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.043807 (E_RNA) where: Base-Base interactions energy: -1295.463 where: short stacking energy: -557.333 Base-Backbone interact. energy: -1.767 local terms energy: -606.813456 where: bonds (distance) C4'-P energy: -124.773 bonds (distance) P-C4' energy: -114.724 flat angles C4'-P-C4' energy: -135.655 flat angles P-C4'-P energy: -81.731 tors. eta vs tors. theta energy: -149.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1729.992222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.992222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.992222 (E_RNA) where: Base-Base interactions energy: -1197.183 where: short stacking energy: -505.885 Base-Backbone interact. energy: 1.226 local terms energy: -534.035390 where: bonds (distance) C4'-P energy: -99.753 bonds (distance) P-C4' energy: -107.268 flat angles C4'-P-C4' energy: -116.816 flat angles P-C4'-P energy: -84.397 tors. eta vs tors. theta energy: -125.802 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: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1611.513742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.513742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.513742 (E_RNA) where: Base-Base interactions energy: -1113.725 where: short stacking energy: -483.767 Base-Backbone interact. energy: -1.881 local terms energy: -495.907151 where: bonds (distance) C4'-P energy: -87.730 bonds (distance) P-C4' energy: -106.034 flat angles C4'-P-C4' energy: -112.890 flat angles P-C4'-P energy: -70.503 tors. eta vs tors. theta energy: -118.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1109.604741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.604741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.604741 (E_RNA) where: Base-Base interactions energy: -665.829 where: short stacking energy: -345.730 Base-Backbone interact. energy: -2.336 local terms energy: -441.439571 where: bonds (distance) C4'-P energy: -106.951 bonds (distance) P-C4' energy: -101.599 flat angles C4'-P-C4' energy: -107.105 flat angles P-C4'-P energy: -68.425 tors. eta vs tors. theta energy: -57.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -947.126758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.126758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.126758 (E_RNA) where: Base-Base interactions energy: -542.483 where: short stacking energy: -273.030 Base-Backbone interact. energy: 0.518 local terms energy: -405.160967 where: bonds (distance) C4'-P energy: -93.403 bonds (distance) P-C4' energy: -119.465 flat angles C4'-P-C4' energy: -104.927 flat angles P-C4'-P energy: -54.955 tors. eta vs tors. theta energy: -32.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2596.404093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.404093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.404093 (E_RNA) where: Base-Base interactions energy: -1860.945 where: short stacking energy: -747.503 Base-Backbone interact. energy: 0.442 local terms energy: -735.901610 where: bonds (distance) C4'-P energy: -123.503 bonds (distance) P-C4' energy: -137.855 flat angles C4'-P-C4' energy: -153.476 flat angles P-C4'-P energy: -105.151 tors. eta vs tors. theta energy: -215.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2465.428355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.428355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.428355 (E_RNA) where: Base-Base interactions energy: -1723.792 where: short stacking energy: -704.789 Base-Backbone interact. energy: 2.085 local terms energy: -743.721535 where: bonds (distance) C4'-P energy: -135.976 bonds (distance) P-C4' energy: -133.184 flat angles C4'-P-C4' energy: -157.146 flat angles P-C4'-P energy: -106.105 tors. eta vs tors. theta energy: -211.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2355.039821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.039821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.039821 (E_RNA) where: Base-Base interactions energy: -1663.195 where: short stacking energy: -688.852 Base-Backbone interact. energy: -0.785 local terms energy: -691.060702 where: bonds (distance) C4'-P energy: -125.663 bonds (distance) P-C4' energy: -132.741 flat angles C4'-P-C4' energy: -147.272 flat angles P-C4'-P energy: -83.867 tors. eta vs tors. theta energy: -201.517 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2259.583575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.583575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.583575 (E_RNA) where: Base-Base interactions energy: -1570.725 where: short stacking energy: -650.410 Base-Backbone interact. energy: 0.502 local terms energy: -689.359930 where: bonds (distance) C4'-P energy: -130.051 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -144.829 flat angles P-C4'-P energy: -83.871 tors. eta vs tors. theta energy: -199.904 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: 73 Temperature: 1.100000 Total energy: -2161.398458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.398458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.398458 (E_RNA) where: Base-Base interactions energy: -1524.818 where: short stacking energy: -627.342 Base-Backbone interact. energy: -1.218 local terms energy: -635.363262 where: bonds (distance) C4'-P energy: -100.142 bonds (distance) P-C4' energy: -123.543 flat angles C4'-P-C4' energy: -141.042 flat angles P-C4'-P energy: -80.193 tors. eta vs tors. theta energy: -190.443 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: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1918.726710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.726710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.726710 (E_RNA) where: Base-Base interactions energy: -1340.493 where: short stacking energy: -569.051 Base-Backbone interact. energy: 3.998 local terms energy: -582.231521 where: bonds (distance) C4'-P energy: -98.145 bonds (distance) P-C4' energy: -122.278 flat angles C4'-P-C4' energy: -129.611 flat angles P-C4'-P energy: -76.692 tors. eta vs tors. theta energy: -155.506 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: 73 Temperature: 1.200000 Total energy: -1736.365184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.365184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.365184 (E_RNA) where: Base-Base interactions energy: -1175.267 where: short stacking energy: -497.112 Base-Backbone interact. energy: 2.044 local terms energy: -563.141662 where: bonds (distance) C4'-P energy: -106.089 bonds (distance) P-C4' energy: -116.748 flat angles C4'-P-C4' energy: -116.473 flat angles P-C4'-P energy: -80.831 tors. eta vs tors. theta energy: -143.000 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: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1591.292330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.292330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.292330 (E_RNA) where: Base-Base interactions energy: -1053.029 where: short stacking energy: -455.297 Base-Backbone interact. energy: -2.186 local terms energy: -536.077807 where: bonds (distance) C4'-P energy: -104.579 bonds (distance) P-C4' energy: -103.742 flat angles C4'-P-C4' energy: -125.169 flat angles P-C4'-P energy: -85.278 tors. eta vs tors. theta energy: -117.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1117.216070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.216070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.216070 (E_RNA) where: Base-Base interactions energy: -653.601 where: short stacking energy: -316.438 Base-Backbone interact. energy: -2.351 local terms energy: -461.264086 where: bonds (distance) C4'-P energy: -111.472 bonds (distance) P-C4' energy: -127.915 flat angles C4'-P-C4' energy: -87.204 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -58.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -913.624146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.624146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.624146 (E_RNA) where: Base-Base interactions energy: -509.419 where: short stacking energy: -267.722 Base-Backbone interact. energy: -1.868 local terms energy: -402.337818 where: bonds (distance) C4'-P energy: -88.417 bonds (distance) P-C4' energy: -112.813 flat angles C4'-P-C4' energy: -104.946 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: -27.408 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: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2585.152905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.152905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.152905 (E_RNA) where: Base-Base interactions energy: -1866.308 where: short stacking energy: -742.132 Base-Backbone interact. energy: -4.959 local terms energy: -713.886218 where: bonds (distance) C4'-P energy: -119.874 bonds (distance) P-C4' energy: -115.830 flat angles C4'-P-C4' energy: -162.173 flat angles P-C4'-P energy: -100.285 tors. eta vs tors. theta energy: -215.724 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: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2480.429926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.429926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.429926 (E_RNA) where: Base-Base interactions energy: -1744.018 where: short stacking energy: -728.345 Base-Backbone interact. energy: -1.467 local terms energy: -734.945145 where: bonds (distance) C4'-P energy: -120.268 bonds (distance) P-C4' energy: -125.056 flat angles C4'-P-C4' energy: -156.748 flat angles P-C4'-P energy: -104.395 tors. eta vs tors. theta energy: -228.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2351.229365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.229365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.229365 (E_RNA) where: Base-Base interactions energy: -1671.154 where: short stacking energy: -680.478 Base-Backbone interact. energy: -0.438 local terms energy: -679.637553 where: bonds (distance) C4'-P energy: -119.278 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -149.360 flat angles P-C4'-P energy: -85.124 tors. eta vs tors. theta energy: -196.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2240.139081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.139081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.139081 (E_RNA) where: Base-Base interactions energy: -1572.898 where: short stacking energy: -648.037 Base-Backbone interact. energy: -2.075 local terms energy: -665.166108 where: bonds (distance) C4'-P energy: -118.833 bonds (distance) P-C4' energy: -123.794 flat angles C4'-P-C4' energy: -146.535 flat angles P-C4'-P energy: -83.843 tors. eta vs tors. theta energy: -192.160 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: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2125.622953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.622953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.622953 (E_RNA) where: Base-Base interactions energy: -1462.465 where: short stacking energy: -606.546 Base-Backbone interact. energy: -1.662 local terms energy: -661.496154 where: bonds (distance) C4'-P energy: -107.359 bonds (distance) P-C4' energy: -134.380 flat angles C4'-P-C4' energy: -153.339 flat angles P-C4'-P energy: -97.703 tors. eta vs tors. theta energy: -168.715 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: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1959.880414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.880414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.880414 (E_RNA) where: Base-Base interactions energy: -1346.204 where: short stacking energy: -540.344 Base-Backbone interact. energy: -4.389 local terms energy: -609.286887 where: bonds (distance) C4'-P energy: -133.605 bonds (distance) P-C4' energy: -113.394 flat angles C4'-P-C4' energy: -119.135 flat angles P-C4'-P energy: -95.369 tors. eta vs tors. theta energy: -147.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1703.774097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.774097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.774097 (E_RNA) where: Base-Base interactions energy: -1174.615 where: short stacking energy: -498.683 Base-Backbone interact. energy: -2.596 local terms energy: -526.563268 where: bonds (distance) C4'-P energy: -87.587 bonds (distance) P-C4' energy: -111.144 flat angles C4'-P-C4' energy: -125.054 flat angles P-C4'-P energy: -79.351 tors. eta vs tors. theta energy: -123.427 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: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1618.166726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.166726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.166726 (E_RNA) where: Base-Base interactions energy: -1098.052 where: short stacking energy: -480.137 Base-Backbone interact. energy: 2.520 local terms energy: -522.635263 where: bonds (distance) C4'-P energy: -93.761 bonds (distance) P-C4' energy: -96.659 flat angles C4'-P-C4' energy: -132.938 flat angles P-C4'-P energy: -83.525 tors. eta vs tors. theta energy: -115.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1144.973157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.973157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.973157 (E_RNA) where: Base-Base interactions energy: -715.655 where: short stacking energy: -320.089 Base-Backbone interact. energy: 0.055 local terms energy: -429.373715 where: bonds (distance) C4'-P energy: -108.213 bonds (distance) P-C4' energy: -99.564 flat angles C4'-P-C4' energy: -111.919 flat angles P-C4'-P energy: -62.925 tors. eta vs tors. theta energy: -46.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -909.930412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.930412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.930412 (E_RNA) where: Base-Base interactions energy: -541.233 where: short stacking energy: -276.572 Base-Backbone interact. energy: -2.229 local terms energy: -366.468846 where: bonds (distance) C4'-P energy: -99.396 bonds (distance) P-C4' energy: -102.395 flat angles C4'-P-C4' energy: -81.549 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -22.919 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: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2616.507750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.507750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.507750 (E_RNA) where: Base-Base interactions energy: -1882.590 where: short stacking energy: -752.212 Base-Backbone interact. energy: -1.302 local terms energy: -732.616424 where: bonds (distance) C4'-P energy: -134.069 bonds (distance) P-C4' energy: -121.206 flat angles C4'-P-C4' energy: -154.169 flat angles P-C4'-P energy: -101.594 tors. eta vs tors. theta energy: -221.578 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: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2482.541085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.541085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.541085 (E_RNA) where: Base-Base interactions energy: -1741.910 where: short stacking energy: -721.133 Base-Backbone interact. energy: -1.036 local terms energy: -739.594933 where: bonds (distance) C4'-P energy: -133.867 bonds (distance) P-C4' energy: -122.082 flat angles C4'-P-C4' energy: -153.921 flat angles P-C4'-P energy: -109.707 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: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2343.760042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.760042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.760042 (E_RNA) where: Base-Base interactions energy: -1650.490 where: short stacking energy: -675.377 Base-Backbone interact. energy: -2.164 local terms energy: -691.106473 where: bonds (distance) C4'-P energy: -127.181 bonds (distance) P-C4' energy: -130.326 flat angles C4'-P-C4' energy: -149.053 flat angles P-C4'-P energy: -95.562 tors. eta vs tors. theta energy: -188.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2235.365117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.365117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.365117 (E_RNA) where: Base-Base interactions energy: -1551.722 where: short stacking energy: -668.861 Base-Backbone interact. energy: -2.319 local terms energy: -681.323808 where: bonds (distance) C4'-P energy: -128.386 bonds (distance) P-C4' energy: -128.337 flat angles C4'-P-C4' energy: -135.479 flat angles P-C4'-P energy: -96.849 tors. eta vs tors. theta energy: -192.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2143.076715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.076715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.076715 (E_RNA) where: Base-Base interactions energy: -1485.688 where: short stacking energy: -626.717 Base-Backbone interact. energy: -0.883 local terms energy: -656.505510 where: bonds (distance) C4'-P energy: -107.623 bonds (distance) P-C4' energy: -124.903 flat angles C4'-P-C4' energy: -143.176 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -175.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1967.473101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.473101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.473101 (E_RNA) where: Base-Base interactions energy: -1362.096 where: short stacking energy: -598.511 Base-Backbone interact. energy: 0.457 local terms energy: -605.833994 where: bonds (distance) C4'-P energy: -108.132 bonds (distance) P-C4' energy: -105.968 flat angles C4'-P-C4' energy: -121.856 flat angles P-C4'-P energy: -107.416 tors. eta vs tors. theta energy: -162.462 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: 7, replica: 2 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1743.001566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.001566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.001566 (E_RNA) where: Base-Base interactions energy: -1182.627 where: short stacking energy: -500.299 Base-Backbone interact. energy: -2.959 local terms energy: -557.415858 where: bonds (distance) C4'-P energy: -104.557 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -110.880 flat angles P-C4'-P energy: -72.594 tors. eta vs tors. theta energy: -135.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1641.469077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.469077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.469077 (E_RNA) where: Base-Base interactions energy: -1114.238 where: short stacking energy: -458.770 Base-Backbone interact. energy: -0.142 local terms energy: -527.089758 where: bonds (distance) C4'-P energy: -120.358 bonds (distance) P-C4' energy: -117.159 flat angles C4'-P-C4' energy: -112.650 flat angles P-C4'-P energy: -58.441 tors. eta vs tors. theta energy: -118.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1122.482878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.482878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.482878 (E_RNA) where: Base-Base interactions energy: -717.035 where: short stacking energy: -335.963 Base-Backbone interact. energy: 3.254 local terms energy: -408.702272 where: bonds (distance) C4'-P energy: -91.443 bonds (distance) P-C4' energy: -104.252 flat angles C4'-P-C4' energy: -95.574 flat angles P-C4'-P energy: -59.477 tors. eta vs tors. theta energy: -57.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -938.949014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.949014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.949014 (E_RNA) where: Base-Base interactions energy: -558.725 where: short stacking energy: -259.934 Base-Backbone interact. energy: 1.072 local terms energy: -381.295940 where: bonds (distance) C4'-P energy: -93.747 bonds (distance) P-C4' energy: -98.524 flat angles C4'-P-C4' energy: -96.337 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -46.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2613.306368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.306368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.306368 (E_RNA) where: Base-Base interactions energy: -1864.475 where: short stacking energy: -754.142 Base-Backbone interact. energy: -1.329 local terms energy: -747.502861 where: bonds (distance) C4'-P energy: -144.187 bonds (distance) P-C4' energy: -131.152 flat angles C4'-P-C4' energy: -151.927 flat angles P-C4'-P energy: -107.411 tors. eta vs tors. theta energy: -212.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2454.395756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.395756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.395756 (E_RNA) where: Base-Base interactions energy: -1712.309 where: short stacking energy: -720.537 Base-Backbone interact. energy: -0.730 local terms energy: -741.357118 where: bonds (distance) C4'-P energy: -125.550 bonds (distance) P-C4' energy: -131.608 flat angles C4'-P-C4' energy: -158.749 flat angles P-C4'-P energy: -106.571 tors. eta vs tors. theta energy: -218.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2350.512349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.512349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.512349 (E_RNA) where: Base-Base interactions energy: -1644.921 where: short stacking energy: -678.071 Base-Backbone interact. energy: -1.174 local terms energy: -704.417458 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -122.877 flat angles C4'-P-C4' energy: -154.497 flat angles P-C4'-P energy: -102.810 tors. eta vs tors. theta energy: -203.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2218.097482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.097482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.097482 (E_RNA) where: Base-Base interactions energy: -1546.308 where: short stacking energy: -649.150 Base-Backbone interact. energy: -1.449 local terms energy: -670.340541 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -113.943 flat angles C4'-P-C4' energy: -143.911 flat angles P-C4'-P energy: -95.105 tors. eta vs tors. theta energy: -194.724 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: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2140.180130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.180130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.180130 (E_RNA) where: Base-Base interactions energy: -1483.105 where: short stacking energy: -639.169 Base-Backbone interact. energy: -1.340 local terms energy: -655.734533 where: bonds (distance) C4'-P energy: -118.069 bonds (distance) P-C4' energy: -114.234 flat angles C4'-P-C4' energy: -140.218 flat angles P-C4'-P energy: -100.140 tors. eta vs tors. theta energy: -183.074 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: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1939.204354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.204354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.204354 (E_RNA) where: Base-Base interactions energy: -1325.306 where: short stacking energy: -574.206 Base-Backbone interact. energy: 6.084 local terms energy: -619.982560 where: bonds (distance) C4'-P energy: -100.705 bonds (distance) P-C4' energy: -137.208 flat angles C4'-P-C4' energy: -143.449 flat angles P-C4'-P energy: -84.632 tors. eta vs tors. theta energy: -153.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1755.946728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.946728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.946728 (E_RNA) where: Base-Base interactions energy: -1207.252 where: short stacking energy: -500.289 Base-Backbone interact. energy: -1.827 local terms energy: -546.868210 where: bonds (distance) C4'-P energy: -94.765 bonds (distance) P-C4' energy: -125.297 flat angles C4'-P-C4' energy: -125.063 flat angles P-C4'-P energy: -70.918 tors. eta vs tors. theta energy: -130.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1599.392529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.392529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.392529 (E_RNA) where: Base-Base interactions energy: -1083.400 where: short stacking energy: -419.863 Base-Backbone interact. energy: -1.860 local terms energy: -514.132386 where: bonds (distance) C4'-P energy: -98.379 bonds (distance) P-C4' energy: -118.052 flat angles C4'-P-C4' energy: -108.443 flat angles P-C4'-P energy: -75.731 tors. eta vs tors. theta energy: -113.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1156.512016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.512016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.512016 (E_RNA) where: Base-Base interactions energy: -700.625 where: short stacking energy: -339.804 Base-Backbone interact. energy: 2.099 local terms energy: -457.985775 where: bonds (distance) C4'-P energy: -116.165 bonds (distance) P-C4' energy: -122.022 flat angles C4'-P-C4' energy: -102.076 flat angles P-C4'-P energy: -72.778 tors. eta vs tors. theta energy: -44.945 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: 76 Temperature: 1.350000 Total energy: -976.096287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.096287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.096287 (E_RNA) where: Base-Base interactions energy: -562.405 where: short stacking energy: -298.852 Base-Backbone interact. energy: -1.970 local terms energy: -411.721193 where: bonds (distance) C4'-P energy: -99.009 bonds (distance) P-C4' energy: -118.485 flat angles C4'-P-C4' energy: -105.614 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -38.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2642.452919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.452919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.452919 (E_RNA) where: Base-Base interactions energy: -1897.419 where: short stacking energy: -754.547 Base-Backbone interact. energy: -1.047 local terms energy: -743.986963 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -135.356 flat angles C4'-P-C4' energy: -156.208 flat angles P-C4'-P energy: -102.637 tors. eta vs tors. theta energy: -216.585 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: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2457.136257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.136257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.136257 (E_RNA) where: Base-Base interactions energy: -1712.470 where: short stacking energy: -718.464 Base-Backbone interact. energy: 0.597 local terms energy: -745.263336 where: bonds (distance) C4'-P energy: -118.059 bonds (distance) P-C4' energy: -144.954 flat angles C4'-P-C4' energy: -151.220 flat angles P-C4'-P energy: -111.594 tors. eta vs tors. theta energy: -219.437 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: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2334.335606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.335606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.335606 (E_RNA) where: Base-Base interactions energy: -1650.023 where: short stacking energy: -695.887 Base-Backbone interact. energy: -2.737 local terms energy: -681.576190 where: bonds (distance) C4'-P energy: -128.885 bonds (distance) P-C4' energy: -118.456 flat angles C4'-P-C4' energy: -142.104 flat angles P-C4'-P energy: -101.754 tors. eta vs tors. theta energy: -190.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2219.917629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.917629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.917629 (E_RNA) where: Base-Base interactions energy: -1550.268 where: short stacking energy: -662.513 Base-Backbone interact. energy: -3.459 local terms energy: -666.190638 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -131.861 flat angles C4'-P-C4' energy: -146.793 flat angles P-C4'-P energy: -97.303 tors. eta vs tors. theta energy: -189.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2147.386827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.386827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.386827 (E_RNA) where: Base-Base interactions energy: -1496.312 where: short stacking energy: -631.965 Base-Backbone interact. energy: -3.182 local terms energy: -647.892887 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -113.991 flat angles C4'-P-C4' energy: -146.004 flat angles P-C4'-P energy: -88.587 tors. eta vs tors. theta energy: -180.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1926.157316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.157316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.157316 (E_RNA) where: Base-Base interactions energy: -1326.236 where: short stacking energy: -566.088 Base-Backbone interact. energy: -3.447 local terms energy: -596.474048 where: bonds (distance) C4'-P energy: -109.273 bonds (distance) P-C4' energy: -116.856 flat angles C4'-P-C4' energy: -119.724 flat angles P-C4'-P energy: -88.038 tors. eta vs tors. theta energy: -162.583 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: 7, replica: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1797.968111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.968111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.968111 (E_RNA) where: Base-Base interactions energy: -1235.562 where: short stacking energy: -504.770 Base-Backbone interact. energy: -0.326 local terms energy: -562.080046 where: bonds (distance) C4'-P energy: -103.829 bonds (distance) P-C4' energy: -92.575 flat angles C4'-P-C4' energy: -132.585 flat angles P-C4'-P energy: -79.758 tors. eta vs tors. theta energy: -153.334 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: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1510.323739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.323739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.323739 (E_RNA) where: Base-Base interactions energy: -1000.030 where: short stacking energy: -430.895 Base-Backbone interact. energy: -1.874 local terms energy: -508.419936 where: bonds (distance) C4'-P energy: -87.558 bonds (distance) P-C4' energy: -102.476 flat angles C4'-P-C4' energy: -118.627 flat angles P-C4'-P energy: -86.963 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: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1092.573688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.573688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.573688 (E_RNA) where: Base-Base interactions energy: -644.506 where: short stacking energy: -297.701 Base-Backbone interact. energy: -0.723 local terms energy: -447.344368 where: bonds (distance) C4'-P energy: -108.359 bonds (distance) P-C4' energy: -105.941 flat angles C4'-P-C4' energy: -96.680 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -56.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -886.013263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.013263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.013263 (E_RNA) where: Base-Base interactions energy: -543.330 where: short stacking energy: -251.120 Base-Backbone interact. energy: -2.157 local terms energy: -340.525926 where: bonds (distance) C4'-P energy: -108.871 bonds (distance) P-C4' energy: -89.018 flat angles C4'-P-C4' energy: -96.913 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2626.127079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.127079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.127079 (E_RNA) where: Base-Base interactions energy: -1884.308 where: short stacking energy: -752.062 Base-Backbone interact. energy: -2.026 local terms energy: -739.793281 where: bonds (distance) C4'-P energy: -120.475 bonds (distance) P-C4' energy: -141.849 flat angles C4'-P-C4' energy: -156.454 flat angles P-C4'-P energy: -101.507 tors. eta vs tors. theta energy: -219.509 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2469.024521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.024521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.024521 (E_RNA) where: Base-Base interactions energy: -1746.489 where: short stacking energy: -731.353 Base-Backbone interact. energy: -1.220 local terms energy: -721.314846 where: bonds (distance) C4'-P energy: -119.874 bonds (distance) P-C4' energy: -129.993 flat angles C4'-P-C4' energy: -152.853 flat angles P-C4'-P energy: -101.488 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: 3, replica: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2333.231584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.231584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.231584 (E_RNA) where: Base-Base interactions energy: -1643.366 where: short stacking energy: -690.847 Base-Backbone interact. energy: -4.051 local terms energy: -685.814252 where: bonds (distance) C4'-P energy: -131.631 bonds (distance) P-C4' energy: -127.109 flat angles C4'-P-C4' energy: -146.014 flat angles P-C4'-P energy: -90.993 tors. eta vs tors. theta energy: -190.067 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: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2211.328167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.328167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.328167 (E_RNA) where: Base-Base interactions energy: -1529.601 where: short stacking energy: -648.870 Base-Backbone interact. energy: 0.497 local terms energy: -682.224051 where: bonds (distance) C4'-P energy: -130.755 bonds (distance) P-C4' energy: -133.243 flat angles C4'-P-C4' energy: -140.018 flat angles P-C4'-P energy: -87.104 tors. eta vs tors. theta energy: -191.104 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: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2198.588903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.588903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.588903 (E_RNA) where: Base-Base interactions energy: -1526.319 where: short stacking energy: -667.705 Base-Backbone interact. energy: -1.633 local terms energy: -670.635944 where: bonds (distance) C4'-P energy: -116.299 bonds (distance) P-C4' energy: -127.348 flat angles C4'-P-C4' energy: -135.147 flat angles P-C4'-P energy: -97.234 tors. eta vs tors. theta energy: -194.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1894.363874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.363874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.363874 (E_RNA) where: Base-Base interactions energy: -1302.708 where: short stacking energy: -530.166 Base-Backbone interact. energy: -3.849 local terms energy: -587.806328 where: bonds (distance) C4'-P energy: -110.100 bonds (distance) P-C4' energy: -121.982 flat angles C4'-P-C4' energy: -139.258 flat angles P-C4'-P energy: -78.213 tors. eta vs tors. theta energy: -138.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1803.493054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.493054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.493054 (E_RNA) where: Base-Base interactions energy: -1224.136 where: short stacking energy: -494.495 Base-Backbone interact. energy: -1.117 local terms energy: -578.239275 where: bonds (distance) C4'-P energy: -98.195 bonds (distance) P-C4' energy: -119.219 flat angles C4'-P-C4' energy: -131.810 flat angles P-C4'-P energy: -86.925 tors. eta vs tors. theta energy: -142.091 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: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1545.070290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.070290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.070290 (E_RNA) where: Base-Base interactions energy: -1001.621 where: short stacking energy: -461.804 Base-Backbone interact. energy: -1.905 local terms energy: -541.544515 where: bonds (distance) C4'-P energy: -112.428 bonds (distance) P-C4' energy: -112.940 flat angles C4'-P-C4' energy: -117.375 flat angles P-C4'-P energy: -77.232 tors. eta vs tors. theta energy: -121.570 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: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1129.875949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.875949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.875949 (E_RNA) where: Base-Base interactions energy: -705.012 where: short stacking energy: -316.932 Base-Backbone interact. energy: -0.931 local terms energy: -423.933341 where: bonds (distance) C4'-P energy: -105.011 bonds (distance) P-C4' energy: -121.526 flat angles C4'-P-C4' energy: -103.733 flat angles P-C4'-P energy: -60.281 tors. eta vs tors. theta energy: -33.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -912.374252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.374252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.374252 (E_RNA) where: Base-Base interactions energy: -522.418 where: short stacking energy: -270.510 Base-Backbone interact. energy: -0.844 local terms energy: -389.112483 where: bonds (distance) C4'-P energy: -103.543 bonds (distance) P-C4' energy: -95.120 flat angles C4'-P-C4' energy: -108.286 flat angles P-C4'-P energy: -58.180 tors. eta vs tors. theta energy: -23.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2621.447912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.447912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.447912 (E_RNA) where: Base-Base interactions energy: -1869.251 where: short stacking energy: -737.085 Base-Backbone interact. energy: -5.074 local terms energy: -747.122142 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -138.421 flat angles C4'-P-C4' energy: -149.420 flat angles P-C4'-P energy: -107.629 tors. eta vs tors. theta energy: -215.639 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: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2457.183421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.183421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.183421 (E_RNA) where: Base-Base interactions energy: -1709.061 where: short stacking energy: -718.031 Base-Backbone interact. energy: -3.747 local terms energy: -744.375435 where: bonds (distance) C4'-P energy: -130.246 bonds (distance) P-C4' energy: -132.939 flat angles C4'-P-C4' energy: -158.786 flat angles P-C4'-P energy: -105.123 tors. eta vs tors. theta energy: -217.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2359.359617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.359617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.359617 (E_RNA) where: Base-Base interactions energy: -1659.298 where: short stacking energy: -679.195 Base-Backbone interact. energy: -0.557 local terms energy: -699.504166 where: bonds (distance) C4'-P energy: -128.113 bonds (distance) P-C4' energy: -128.063 flat angles C4'-P-C4' energy: -141.713 flat angles P-C4'-P energy: -100.760 tors. eta vs tors. theta energy: -200.856 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: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2240.035240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.035240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.035240 (E_RNA) where: Base-Base interactions energy: -1559.402 where: short stacking energy: -651.773 Base-Backbone interact. energy: -4.013 local terms energy: -676.620583 where: bonds (distance) C4'-P energy: -119.911 bonds (distance) P-C4' energy: -126.073 flat angles C4'-P-C4' energy: -139.684 flat angles P-C4'-P energy: -94.624 tors. eta vs tors. theta energy: -196.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2184.286462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.286462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.286462 (E_RNA) where: Base-Base interactions energy: -1520.799 where: short stacking energy: -641.309 Base-Backbone interact. energy: -2.366 local terms energy: -661.122115 where: bonds (distance) C4'-P energy: -112.219 bonds (distance) P-C4' energy: -114.129 flat angles C4'-P-C4' energy: -145.428 flat angles P-C4'-P energy: -91.868 tors. eta vs tors. theta energy: -197.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1937.616930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.616930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.616930 (E_RNA) where: Base-Base interactions energy: -1315.439 where: short stacking energy: -564.983 Base-Backbone interact. energy: -0.010 local terms energy: -622.167844 where: bonds (distance) C4'-P energy: -121.341 bonds (distance) P-C4' energy: -106.125 flat angles C4'-P-C4' energy: -146.422 flat angles P-C4'-P energy: -89.728 tors. eta vs tors. theta energy: -158.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1789.816701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.816701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.816701 (E_RNA) where: Base-Base interactions energy: -1182.820 where: short stacking energy: -538.844 Base-Backbone interact. energy: -1.908 local terms energy: -605.089566 where: bonds (distance) C4'-P energy: -107.292 bonds (distance) P-C4' energy: -115.845 flat angles C4'-P-C4' energy: -140.610 flat angles P-C4'-P energy: -80.401 tors. eta vs tors. theta energy: -160.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1488.922589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.922589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.922589 (E_RNA) where: Base-Base interactions energy: -998.510 where: short stacking energy: -447.265 Base-Backbone interact. energy: -0.754 local terms energy: -489.658656 where: bonds (distance) C4'-P energy: -97.114 bonds (distance) P-C4' energy: -104.344 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -78.863 tors. eta vs tors. theta energy: -101.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1164.863538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.863538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.863538 (E_RNA) where: Base-Base interactions energy: -730.191 where: short stacking energy: -349.183 Base-Backbone interact. energy: 0.564 local terms energy: -435.235911 where: bonds (distance) C4'-P energy: -115.083 bonds (distance) P-C4' energy: -101.952 flat angles C4'-P-C4' energy: -105.781 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -49.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -956.414012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.414012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.414012 (E_RNA) where: Base-Base interactions energy: -549.435 where: short stacking energy: -286.161 Base-Backbone interact. energy: -0.471 local terms energy: -406.507821 where: bonds (distance) C4'-P energy: -108.975 bonds (distance) P-C4' energy: -96.820 flat angles C4'-P-C4' energy: -97.598 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -34.095 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: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2612.263572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.263572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.263572 (E_RNA) where: Base-Base interactions energy: -1893.453 where: short stacking energy: -761.721 Base-Backbone interact. energy: 4.227 local terms energy: -723.037017 where: bonds (distance) C4'-P energy: -133.824 bonds (distance) P-C4' energy: -123.290 flat angles C4'-P-C4' energy: -152.147 flat angles P-C4'-P energy: -95.531 tors. eta vs tors. theta energy: -218.245 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: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2455.751211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.751211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.751211 (E_RNA) where: Base-Base interactions energy: -1739.357 where: short stacking energy: -714.127 Base-Backbone interact. energy: 2.367 local terms energy: -718.761827 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -139.081 flat angles C4'-P-C4' energy: -141.070 flat angles P-C4'-P energy: -103.840 tors. eta vs tors. theta energy: -209.378 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: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2360.953808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.953808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.953808 (E_RNA) where: Base-Base interactions energy: -1642.402 where: short stacking energy: -692.244 Base-Backbone interact. energy: -1.213 local terms energy: -717.338893 where: bonds (distance) C4'-P energy: -125.940 bonds (distance) P-C4' energy: -134.426 flat angles C4'-P-C4' energy: -161.448 flat angles P-C4'-P energy: -100.603 tors. eta vs tors. theta energy: -194.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2225.934615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.934615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.934615 (E_RNA) where: Base-Base interactions energy: -1541.413 where: short stacking energy: -659.251 Base-Backbone interact. energy: -0.531 local terms energy: -683.989837 where: bonds (distance) C4'-P energy: -121.033 bonds (distance) P-C4' energy: -111.282 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -100.189 tors. eta vs tors. theta energy: -201.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2185.038590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.038590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.038590 (E_RNA) where: Base-Base interactions energy: -1518.574 where: short stacking energy: -651.491 Base-Backbone interact. energy: -1.171 local terms energy: -665.293463 where: bonds (distance) C4'-P energy: -114.150 bonds (distance) P-C4' energy: -123.332 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -97.361 tors. eta vs tors. theta energy: -191.530 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: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1896.406499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.406499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.406499 (E_RNA) where: Base-Base interactions energy: -1303.549 where: short stacking energy: -559.282 Base-Backbone interact. energy: -2.269 local terms energy: -590.588205 where: bonds (distance) C4'-P energy: -112.135 bonds (distance) P-C4' energy: -97.211 flat angles C4'-P-C4' energy: -137.214 flat angles P-C4'-P energy: -92.625 tors. eta vs tors. theta energy: -151.403 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: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1816.472097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.472097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.472097 (E_RNA) where: Base-Base interactions energy: -1244.855 where: short stacking energy: -535.662 Base-Backbone interact. energy: -2.056 local terms energy: -569.560693 where: bonds (distance) C4'-P energy: -102.324 bonds (distance) P-C4' energy: -106.284 flat angles C4'-P-C4' energy: -123.747 flat angles P-C4'-P energy: -83.005 tors. eta vs tors. theta energy: -154.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1551.979578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.979578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.979578 (E_RNA) where: Base-Base interactions energy: -1021.682 where: short stacking energy: -457.115 Base-Backbone interact. energy: 0.907 local terms energy: -531.204623 where: bonds (distance) C4'-P energy: -109.776 bonds (distance) P-C4' energy: -119.657 flat angles C4'-P-C4' energy: -114.060 flat angles P-C4'-P energy: -67.459 tors. eta vs tors. theta energy: -120.253 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: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1170.086404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.086404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.086404 (E_RNA) where: Base-Base interactions energy: -713.805 where: short stacking energy: -322.740 Base-Backbone interact. energy: 0.089 local terms energy: -456.371136 where: bonds (distance) C4'-P energy: -117.328 bonds (distance) P-C4' energy: -105.561 flat angles C4'-P-C4' energy: -127.505 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: -57.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -858.021036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.021036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.021036 (E_RNA) where: Base-Base interactions energy: -514.286 where: short stacking energy: -244.918 Base-Backbone interact. energy: 5.038 local terms energy: -348.773555 where: bonds (distance) C4'-P energy: -102.398 bonds (distance) P-C4' energy: -112.406 flat angles C4'-P-C4' energy: -96.988 flat angles P-C4'-P energy: -45.349 tors. eta vs tors. theta energy: 8.367 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: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2595.792526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.792526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.792526 (E_RNA) where: Base-Base interactions energy: -1853.200 where: short stacking energy: -749.873 Base-Backbone interact. energy: -2.552 local terms energy: -740.041081 where: bonds (distance) C4'-P energy: -136.052 bonds (distance) P-C4' energy: -127.721 flat angles C4'-P-C4' energy: -154.323 flat angles P-C4'-P energy: -108.627 tors. eta vs tors. theta energy: -213.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2496.263159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.263159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.263159 (E_RNA) where: Base-Base interactions energy: -1770.620 where: short stacking energy: -744.127 Base-Backbone interact. energy: 0.013 local terms energy: -725.656323 where: bonds (distance) C4'-P energy: -124.868 bonds (distance) P-C4' energy: -123.377 flat angles C4'-P-C4' energy: -155.718 flat angles P-C4'-P energy: -100.114 tors. eta vs tors. theta energy: -221.580 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: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2376.844965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.844965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.844965 (E_RNA) where: Base-Base interactions energy: -1642.217 where: short stacking energy: -703.428 Base-Backbone interact. energy: -0.649 local terms energy: -733.979726 where: bonds (distance) C4'-P energy: -119.563 bonds (distance) P-C4' energy: -140.682 flat angles C4'-P-C4' energy: -155.846 flat angles P-C4'-P energy: -102.889 tors. eta vs tors. theta energy: -215.000 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: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2247.334691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.334691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.334691 (E_RNA) where: Base-Base interactions energy: -1557.112 where: short stacking energy: -674.883 Base-Backbone interact. energy: -3.293 local terms energy: -686.929851 where: bonds (distance) C4'-P energy: -124.055 bonds (distance) P-C4' energy: -131.446 flat angles C4'-P-C4' energy: -146.668 flat angles P-C4'-P energy: -93.997 tors. eta vs tors. theta energy: -190.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2216.983757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.983757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.983757 (E_RNA) where: Base-Base interactions energy: -1515.616 where: short stacking energy: -634.498 Base-Backbone interact. energy: -2.902 local terms energy: -698.465790 where: bonds (distance) C4'-P energy: -115.389 bonds (distance) P-C4' energy: -133.992 flat angles C4'-P-C4' energy: -144.301 flat angles P-C4'-P energy: -99.855 tors. eta vs tors. theta energy: -204.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1900.913287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.913287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.913287 (E_RNA) where: Base-Base interactions energy: -1299.553 where: short stacking energy: -570.173 Base-Backbone interact. energy: -1.723 local terms energy: -599.637757 where: bonds (distance) C4'-P energy: -115.218 bonds (distance) P-C4' energy: -110.498 flat angles C4'-P-C4' energy: -140.169 flat angles P-C4'-P energy: -90.679 tors. eta vs tors. theta energy: -143.074 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: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1810.875135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.875135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.875135 (E_RNA) where: Base-Base interactions energy: -1238.438 where: short stacking energy: -525.840 Base-Backbone interact. energy: -1.019 local terms energy: -571.418938 where: bonds (distance) C4'-P energy: -120.805 bonds (distance) P-C4' energy: -114.636 flat angles C4'-P-C4' energy: -118.809 flat angles P-C4'-P energy: -82.107 tors. eta vs tors. theta energy: -135.063 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: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1546.671170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.671170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.671170 (E_RNA) where: Base-Base interactions energy: -1009.595 where: short stacking energy: -451.314 Base-Backbone interact. energy: 0.142 local terms energy: -537.218597 where: bonds (distance) C4'-P energy: -109.847 bonds (distance) P-C4' energy: -124.869 flat angles C4'-P-C4' energy: -116.886 flat angles P-C4'-P energy: -65.482 tors. eta vs tors. theta energy: -120.135 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: 81 Temperature: 1.300000 Total energy: -1123.030050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.030050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.030050 (E_RNA) where: Base-Base interactions energy: -708.809 where: short stacking energy: -317.627 Base-Backbone interact. energy: 5.896 local terms energy: -420.117095 where: bonds (distance) C4'-P energy: -90.957 bonds (distance) P-C4' energy: -106.138 flat angles C4'-P-C4' energy: -104.615 flat angles P-C4'-P energy: -70.480 tors. eta vs tors. theta energy: -47.927 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: 81 Temperature: 1.350000 Total energy: -877.317820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.317820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.317820 (E_RNA) where: Base-Base interactions energy: -521.113 where: short stacking energy: -261.811 Base-Backbone interact. energy: 1.618 local terms energy: -357.823019 where: bonds (distance) C4'-P energy: -89.019 bonds (distance) P-C4' energy: -129.603 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -26.081 tors. eta vs tors. theta energy: -16.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2602.349325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.349325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.349325 (E_RNA) where: Base-Base interactions energy: -1856.684 where: short stacking energy: -744.950 Base-Backbone interact. energy: 1.122 local terms energy: -746.786694 where: bonds (distance) C4'-P energy: -125.045 bonds (distance) P-C4' energy: -133.186 flat angles C4'-P-C4' energy: -163.938 flat angles P-C4'-P energy: -108.936 tors. eta vs tors. theta energy: -215.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2509.909777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.909777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.909777 (E_RNA) where: Base-Base interactions energy: -1744.462 where: short stacking energy: -745.398 Base-Backbone interact. energy: -2.012 local terms energy: -763.435938 where: bonds (distance) C4'-P energy: -126.504 bonds (distance) P-C4' energy: -127.027 flat angles C4'-P-C4' energy: -167.358 flat angles P-C4'-P energy: -104.674 tors. eta vs tors. theta energy: -237.873 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: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2356.025697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.025697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.025697 (E_RNA) where: Base-Base interactions energy: -1645.911 where: short stacking energy: -690.128 Base-Backbone interact. energy: -4.096 local terms energy: -706.018066 where: bonds (distance) C4'-P energy: -127.288 bonds (distance) P-C4' energy: -126.336 flat angles C4'-P-C4' energy: -156.441 flat angles P-C4'-P energy: -101.544 tors. eta vs tors. theta energy: -194.410 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: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2265.175038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.175038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.175038 (E_RNA) where: Base-Base interactions energy: -1588.978 where: short stacking energy: -662.904 Base-Backbone interact. energy: -3.404 local terms energy: -672.793468 where: bonds (distance) C4'-P energy: -127.806 bonds (distance) P-C4' energy: -112.946 flat angles C4'-P-C4' energy: -134.563 flat angles P-C4'-P energy: -99.836 tors. eta vs tors. theta energy: -197.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2178.879646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.879646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.879646 (E_RNA) where: Base-Base interactions energy: -1528.144 where: short stacking energy: -651.678 Base-Backbone interact. energy: -3.563 local terms energy: -647.172614 where: bonds (distance) C4'-P energy: -105.793 bonds (distance) P-C4' energy: -115.516 flat angles C4'-P-C4' energy: -136.613 flat angles P-C4'-P energy: -102.140 tors. eta vs tors. theta energy: -187.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1960.600026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.600026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.600026 (E_RNA) where: Base-Base interactions energy: -1364.057 where: short stacking energy: -579.870 Base-Backbone interact. energy: -0.846 local terms energy: -595.697096 where: bonds (distance) C4'-P energy: -106.152 bonds (distance) P-C4' energy: -103.482 flat angles C4'-P-C4' energy: -135.157 flat angles P-C4'-P energy: -85.711 tors. eta vs tors. theta energy: -165.195 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: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1805.883805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.883805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.883805 (E_RNA) where: Base-Base interactions energy: -1250.307 where: short stacking energy: -493.448 Base-Backbone interact. energy: 0.640 local terms energy: -556.216376 where: bonds (distance) C4'-P energy: -119.887 bonds (distance) P-C4' energy: -116.397 flat angles C4'-P-C4' energy: -125.049 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -124.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1631.148607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.148607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.148607 (E_RNA) where: Base-Base interactions energy: -1090.297 where: short stacking energy: -474.632 Base-Backbone interact. energy: -1.271 local terms energy: -539.580737 where: bonds (distance) C4'-P energy: -113.765 bonds (distance) P-C4' energy: -108.505 flat angles C4'-P-C4' energy: -115.276 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -121.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1111.502111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.502111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.502111 (E_RNA) where: Base-Base interactions energy: -658.320 where: short stacking energy: -285.530 Base-Backbone interact. energy: -0.620 local terms energy: -452.562008 where: bonds (distance) C4'-P energy: -116.448 bonds (distance) P-C4' energy: -97.810 flat angles C4'-P-C4' energy: -117.252 flat angles P-C4'-P energy: -70.331 tors. eta vs tors. theta energy: -50.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -810.970008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.970008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.970008 (E_RNA) where: Base-Base interactions energy: -421.603 where: short stacking energy: -207.443 Base-Backbone interact. energy: 4.938 local terms energy: -394.305539 where: bonds (distance) C4'-P energy: -108.165 bonds (distance) P-C4' energy: -133.326 flat angles C4'-P-C4' energy: -99.059 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: 6.290 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: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2610.461414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.461414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.461414 (E_RNA) where: Base-Base interactions energy: -1858.620 where: short stacking energy: -739.927 Base-Backbone interact. energy: 2.214 local terms energy: -754.055059 where: bonds (distance) C4'-P energy: -133.861 bonds (distance) P-C4' energy: -133.369 flat angles C4'-P-C4' energy: -153.479 flat angles P-C4'-P energy: -113.168 tors. eta vs tors. theta energy: -220.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2504.417625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.417625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.417625 (E_RNA) where: Base-Base interactions energy: -1779.716 where: short stacking energy: -748.562 Base-Backbone interact. energy: 0.170 local terms energy: -724.871710 where: bonds (distance) C4'-P energy: -109.200 bonds (distance) P-C4' energy: -141.849 flat angles C4'-P-C4' energy: -150.938 flat angles P-C4'-P energy: -88.152 tors. eta vs tors. theta energy: -234.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2345.834830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.834830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.834830 (E_RNA) where: Base-Base interactions energy: -1657.976 where: short stacking energy: -683.539 Base-Backbone interact. energy: -2.570 local terms energy: -685.288395 where: bonds (distance) C4'-P energy: -116.390 bonds (distance) P-C4' energy: -139.102 flat angles C4'-P-C4' energy: -152.123 flat angles P-C4'-P energy: -85.002 tors. eta vs tors. theta energy: -192.671 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: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2289.825914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.825914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.825914 (E_RNA) where: Base-Base interactions energy: -1592.705 where: short stacking energy: -667.393 Base-Backbone interact. energy: -3.694 local terms energy: -693.427647 where: bonds (distance) C4'-P energy: -121.590 bonds (distance) P-C4' energy: -116.981 flat angles C4'-P-C4' energy: -153.136 flat angles P-C4'-P energy: -92.583 tors. eta vs tors. theta energy: -209.137 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: 5, replica: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2132.381531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.381531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.381531 (E_RNA) where: Base-Base interactions energy: -1459.622 where: short stacking energy: -627.128 Base-Backbone interact. energy: -0.506 local terms energy: -672.252661 where: bonds (distance) C4'-P energy: -129.230 bonds (distance) P-C4' energy: -125.849 flat angles C4'-P-C4' energy: -149.513 flat angles P-C4'-P energy: -91.073 tors. eta vs tors. theta energy: -176.588 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: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1967.418020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.418020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.418020 (E_RNA) where: Base-Base interactions energy: -1343.548 where: short stacking energy: -564.790 Base-Backbone interact. energy: -2.262 local terms energy: -621.608267 where: bonds (distance) C4'-P energy: -116.096 bonds (distance) P-C4' energy: -109.865 flat angles C4'-P-C4' energy: -142.254 flat angles P-C4'-P energy: -96.730 tors. eta vs tors. theta energy: -156.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1623.394163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.394163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.394163 (E_RNA) where: Base-Base interactions energy: -1082.250 where: short stacking energy: -456.417 Base-Backbone interact. energy: -0.996 local terms energy: -540.148009 where: bonds (distance) C4'-P energy: -108.616 bonds (distance) P-C4' energy: -108.901 flat angles C4'-P-C4' energy: -128.896 flat angles P-C4'-P energy: -86.795 tors. eta vs tors. theta energy: -106.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1647.500596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.500596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.500596 (E_RNA) where: Base-Base interactions energy: -1097.183 where: short stacking energy: -492.061 Base-Backbone interact. energy: -2.259 local terms energy: -548.058334 where: bonds (distance) C4'-P energy: -107.342 bonds (distance) P-C4' energy: -119.567 flat angles C4'-P-C4' energy: -117.709 flat angles P-C4'-P energy: -69.700 tors. eta vs tors. theta energy: -133.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1115.314446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.314446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.314446 (E_RNA) where: Base-Base interactions energy: -710.483 where: short stacking energy: -297.527 Base-Backbone interact. energy: -0.276 local terms energy: -404.554679 where: bonds (distance) C4'-P energy: -100.105 bonds (distance) P-C4' energy: -98.441 flat angles C4'-P-C4' energy: -110.295 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: -22.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -921.640714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.640714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.640714 (E_RNA) where: Base-Base interactions energy: -547.686 where: short stacking energy: -266.113 Base-Backbone interact. energy: -3.732 local terms energy: -370.222496 where: bonds (distance) C4'-P energy: -90.157 bonds (distance) P-C4' energy: -99.642 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -76.438 tors. eta vs tors. theta energy: -15.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2594.591075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.591075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.591075 (E_RNA) where: Base-Base interactions energy: -1849.380 where: short stacking energy: -731.554 Base-Backbone interact. energy: -3.137 local terms energy: -742.074095 where: bonds (distance) C4'-P energy: -130.911 bonds (distance) P-C4' energy: -120.262 flat angles C4'-P-C4' energy: -156.239 flat angles P-C4'-P energy: -117.311 tors. eta vs tors. theta energy: -217.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2506.595037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.595037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.595037 (E_RNA) where: Base-Base interactions energy: -1778.087 where: short stacking energy: -744.144 Base-Backbone interact. energy: -0.288 local terms energy: -728.219748 where: bonds (distance) C4'-P energy: -127.327 bonds (distance) P-C4' energy: -127.181 flat angles C4'-P-C4' energy: -155.029 flat angles P-C4'-P energy: -94.197 tors. eta vs tors. theta energy: -224.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2357.312890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.312890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.312890 (E_RNA) where: Base-Base interactions energy: -1672.699 where: short stacking energy: -692.168 Base-Backbone interact. energy: -2.502 local terms energy: -682.111855 where: bonds (distance) C4'-P energy: -129.517 bonds (distance) P-C4' energy: -126.272 flat angles C4'-P-C4' energy: -144.167 flat angles P-C4'-P energy: -91.461 tors. eta vs tors. theta energy: -190.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2305.323832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.323832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.323832 (E_RNA) where: Base-Base interactions energy: -1632.474 where: short stacking energy: -679.130 Base-Backbone interact. energy: -1.039 local terms energy: -671.811616 where: bonds (distance) C4'-P energy: -114.280 bonds (distance) P-C4' energy: -113.025 flat angles C4'-P-C4' energy: -156.305 flat angles P-C4'-P energy: -83.406 tors. eta vs tors. theta energy: -204.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2191.362151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.362151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.362151 (E_RNA) where: Base-Base interactions energy: -1539.475 where: short stacking energy: -656.804 Base-Backbone interact. energy: -1.230 local terms energy: -650.657210 where: bonds (distance) C4'-P energy: -118.254 bonds (distance) P-C4' energy: -108.171 flat angles C4'-P-C4' energy: -136.335 flat angles P-C4'-P energy: -92.069 tors. eta vs tors. theta energy: -195.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1958.356952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.356952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.356952 (E_RNA) where: Base-Base interactions energy: -1366.653 where: short stacking energy: -582.297 Base-Backbone interact. energy: 2.342 local terms energy: -594.046424 where: bonds (distance) C4'-P energy: -102.246 bonds (distance) P-C4' energy: -110.591 flat angles C4'-P-C4' energy: -134.621 flat angles P-C4'-P energy: -85.797 tors. eta vs tors. theta energy: -160.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1668.980639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.980639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.980639 (E_RNA) where: Base-Base interactions energy: -1098.532 where: short stacking energy: -497.468 Base-Backbone interact. energy: -1.157 local terms energy: -569.291862 where: bonds (distance) C4'-P energy: -119.703 bonds (distance) P-C4' energy: -117.614 flat angles C4'-P-C4' energy: -119.797 flat angles P-C4'-P energy: -81.745 tors. eta vs tors. theta energy: -130.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1549.231937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.231937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.231937 (E_RNA) where: Base-Base interactions energy: -1041.346 where: short stacking energy: -468.508 Base-Backbone interact. energy: -0.053 local terms energy: -507.832342 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -105.579 flat angles C4'-P-C4' energy: -111.638 flat angles P-C4'-P energy: -76.275 tors. eta vs tors. theta energy: -113.792 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: 84 Temperature: 1.300000 Total energy: -1199.996882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.996882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.996882 (E_RNA) where: Base-Base interactions energy: -719.460 where: short stacking energy: -339.324 Base-Backbone interact. energy: 2.120 local terms energy: -482.656771 where: bonds (distance) C4'-P energy: -112.557 bonds (distance) P-C4' energy: -131.143 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -64.592 tors. eta vs tors. theta energy: -50.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -883.828774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.828774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.828774 (E_RNA) where: Base-Base interactions energy: -493.633 where: short stacking energy: -240.766 Base-Backbone interact. energy: -0.577 local terms energy: -389.618270 where: bonds (distance) C4'-P energy: -107.760 bonds (distance) P-C4' energy: -123.076 flat angles C4'-P-C4' energy: -85.928 flat angles P-C4'-P energy: -54.083 tors. eta vs tors. theta energy: -18.771 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: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2603.281816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.281816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.281816 (E_RNA) where: Base-Base interactions energy: -1826.415 where: short stacking energy: -728.589 Base-Backbone interact. energy: -2.939 local terms energy: -773.928052 where: bonds (distance) C4'-P energy: -132.744 bonds (distance) P-C4' energy: -136.514 flat angles C4'-P-C4' energy: -163.208 flat angles P-C4'-P energy: -122.774 tors. eta vs tors. theta energy: -218.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2518.553027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.553027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.553027 (E_RNA) where: Base-Base interactions energy: -1780.336 where: short stacking energy: -743.355 Base-Backbone interact. energy: -0.486 local terms energy: -737.731259 where: bonds (distance) C4'-P energy: -126.750 bonds (distance) P-C4' energy: -131.045 flat angles C4'-P-C4' energy: -154.737 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -224.300 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: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2366.633866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.633866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.633866 (E_RNA) where: Base-Base interactions energy: -1659.809 where: short stacking energy: -698.886 Base-Backbone interact. energy: 0.691 local terms energy: -707.516319 where: bonds (distance) C4'-P energy: -121.514 bonds (distance) P-C4' energy: -121.790 flat angles C4'-P-C4' energy: -161.943 flat angles P-C4'-P energy: -91.168 tors. eta vs tors. theta energy: -211.102 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: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2279.454718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.454718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.454718 (E_RNA) where: Base-Base interactions energy: -1590.114 where: short stacking energy: -663.032 Base-Backbone interact. energy: -2.975 local terms energy: -686.365917 where: bonds (distance) C4'-P energy: -119.632 bonds (distance) P-C4' energy: -122.617 flat angles C4'-P-C4' energy: -142.701 flat angles P-C4'-P energy: -99.535 tors. eta vs tors. theta energy: -201.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2161.559005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.559005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.559005 (E_RNA) where: Base-Base interactions energy: -1500.393 where: short stacking energy: -605.738 Base-Backbone interact. energy: -1.746 local terms energy: -659.419634 where: bonds (distance) C4'-P energy: -126.617 bonds (distance) P-C4' energy: -121.455 flat angles C4'-P-C4' energy: -137.412 flat angles P-C4'-P energy: -94.003 tors. eta vs tors. theta energy: -179.932 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: 85 Temperature: 1.150000 Total energy: -1970.776714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.776714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.776714 (E_RNA) where: Base-Base interactions energy: -1377.216 where: short stacking energy: -571.613 Base-Backbone interact. energy: -1.961 local terms energy: -591.599157 where: bonds (distance) C4'-P energy: -113.984 bonds (distance) P-C4' energy: -116.065 flat angles C4'-P-C4' energy: -127.102 flat angles P-C4'-P energy: -71.853 tors. eta vs tors. theta energy: -162.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1597.066470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.066470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.066470 (E_RNA) where: Base-Base interactions energy: -1051.488 where: short stacking energy: -469.095 Base-Backbone interact. energy: 2.654 local terms energy: -548.232882 where: bonds (distance) C4'-P energy: -124.164 bonds (distance) P-C4' energy: -108.876 flat angles C4'-P-C4' energy: -125.577 flat angles P-C4'-P energy: -73.807 tors. eta vs tors. theta energy: -115.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1566.192937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.192937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.192937 (E_RNA) where: Base-Base interactions energy: -1015.866 where: short stacking energy: -466.180 Base-Backbone interact. energy: -0.209 local terms energy: -550.117729 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -118.526 flat angles C4'-P-C4' energy: -128.459 flat angles P-C4'-P energy: -71.136 tors. eta vs tors. theta energy: -116.093 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: 85 Temperature: 1.300000 Total energy: -1187.316296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.316296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.316296 (E_RNA) where: Base-Base interactions energy: -741.179 where: short stacking energy: -322.981 Base-Backbone interact. energy: -1.312 local terms energy: -444.825881 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -123.098 flat angles C4'-P-C4' energy: -115.941 flat angles P-C4'-P energy: -67.929 tors. eta vs tors. theta energy: -39.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -922.119092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.119092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.119092 (E_RNA) where: Base-Base interactions energy: -514.087 where: short stacking energy: -261.791 Base-Backbone interact. energy: -1.776 local terms energy: -406.256329 where: bonds (distance) C4'-P energy: -111.684 bonds (distance) P-C4' energy: -108.686 flat angles C4'-P-C4' energy: -95.858 flat angles P-C4'-P energy: -46.444 tors. eta vs tors. theta energy: -43.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2629.803238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.803238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.803238 (E_RNA) where: Base-Base interactions energy: -1876.379 where: short stacking energy: -752.101 Base-Backbone interact. energy: -3.320 local terms energy: -750.103780 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -129.916 flat angles C4'-P-C4' energy: -155.435 flat angles P-C4'-P energy: -114.764 tors. eta vs tors. theta energy: -220.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2496.624275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.624275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.624275 (E_RNA) where: Base-Base interactions energy: -1740.504 where: short stacking energy: -727.283 Base-Backbone interact. energy: -2.233 local terms energy: -753.886873 where: bonds (distance) C4'-P energy: -129.737 bonds (distance) P-C4' energy: -133.800 flat angles C4'-P-C4' energy: -157.517 flat angles P-C4'-P energy: -105.752 tors. eta vs tors. theta energy: -227.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2336.973777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.973777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.973777 (E_RNA) where: Base-Base interactions energy: -1658.643 where: short stacking energy: -671.819 Base-Backbone interact. energy: 0.294 local terms energy: -678.624554 where: bonds (distance) C4'-P energy: -119.396 bonds (distance) P-C4' energy: -122.607 flat angles C4'-P-C4' energy: -146.310 flat angles P-C4'-P energy: -94.195 tors. eta vs tors. theta energy: -196.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2333.711018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.711018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.711018 (E_RNA) where: Base-Base interactions energy: -1643.605 where: short stacking energy: -702.335 Base-Backbone interact. energy: 2.481 local terms energy: -692.587016 where: bonds (distance) C4'-P energy: -105.162 bonds (distance) P-C4' energy: -127.982 flat angles C4'-P-C4' energy: -154.310 flat angles P-C4'-P energy: -84.948 tors. eta vs tors. theta energy: -220.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2173.062846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.062846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.062846 (E_RNA) where: Base-Base interactions energy: -1497.923 where: short stacking energy: -659.272 Base-Backbone interact. energy: -0.543 local terms energy: -674.596512 where: bonds (distance) C4'-P energy: -129.272 bonds (distance) P-C4' energy: -113.860 flat angles C4'-P-C4' energy: -146.928 flat angles P-C4'-P energy: -82.231 tors. eta vs tors. theta energy: -202.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1958.406329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.406329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.406329 (E_RNA) where: Base-Base interactions energy: -1353.140 where: short stacking energy: -585.699 Base-Backbone interact. energy: -0.469 local terms energy: -604.797014 where: bonds (distance) C4'-P energy: -108.850 bonds (distance) P-C4' energy: -111.109 flat angles C4'-P-C4' energy: -138.898 flat angles P-C4'-P energy: -72.442 tors. eta vs tors. theta energy: -173.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1662.883781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.883781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.883781 (E_RNA) where: Base-Base interactions energy: -1107.171 where: short stacking energy: -496.618 Base-Backbone interact. energy: 9.655 local terms energy: -565.367367 where: bonds (distance) C4'-P energy: -96.081 bonds (distance) P-C4' energy: -115.408 flat angles C4'-P-C4' energy: -126.606 flat angles P-C4'-P energy: -98.578 tors. eta vs tors. theta energy: -128.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1562.109237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.109237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.109237 (E_RNA) where: Base-Base interactions energy: -1049.310 where: short stacking energy: -466.569 Base-Backbone interact. energy: 1.240 local terms energy: -514.039405 where: bonds (distance) C4'-P energy: -95.629 bonds (distance) P-C4' energy: -109.797 flat angles C4'-P-C4' energy: -125.996 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -115.723 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1126.979633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.979633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.979633 (E_RNA) where: Base-Base interactions energy: -707.557 where: short stacking energy: -311.124 Base-Backbone interact. energy: -3.324 local terms energy: -416.098679 where: bonds (distance) C4'-P energy: -116.029 bonds (distance) P-C4' energy: -108.401 flat angles C4'-P-C4' energy: -110.653 flat angles P-C4'-P energy: -50.820 tors. eta vs tors. theta energy: -30.195 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: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -920.900732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.900732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.900732 (E_RNA) where: Base-Base interactions energy: -536.362 where: short stacking energy: -265.799 Base-Backbone interact. energy: 4.091 local terms energy: -388.629246 where: bonds (distance) C4'-P energy: -93.497 bonds (distance) P-C4' energy: -118.298 flat angles C4'-P-C4' energy: -103.208 flat angles P-C4'-P energy: -56.186 tors. eta vs tors. theta energy: -17.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2605.597774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.597774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.597774 (E_RNA) where: Base-Base interactions energy: -1849.220 where: short stacking energy: -758.828 Base-Backbone interact. energy: -4.050 local terms energy: -752.327665 where: bonds (distance) C4'-P energy: -137.824 bonds (distance) P-C4' energy: -134.429 flat angles C4'-P-C4' energy: -143.676 flat angles P-C4'-P energy: -116.335 tors. eta vs tors. theta energy: -220.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2475.222629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.222629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.222629 (E_RNA) where: Base-Base interactions energy: -1713.545 where: short stacking energy: -721.200 Base-Backbone interact. energy: -2.142 local terms energy: -759.535553 where: bonds (distance) C4'-P energy: -126.788 bonds (distance) P-C4' energy: -146.964 flat angles C4'-P-C4' energy: -156.245 flat angles P-C4'-P energy: -103.629 tors. eta vs tors. theta energy: -225.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2358.123817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.123817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.123817 (E_RNA) where: Base-Base interactions energy: -1659.567 where: short stacking energy: -689.768 Base-Backbone interact. energy: -0.456 local terms energy: -698.100994 where: bonds (distance) C4'-P energy: -118.698 bonds (distance) P-C4' energy: -139.820 flat angles C4'-P-C4' energy: -145.441 flat angles P-C4'-P energy: -96.714 tors. eta vs tors. theta energy: -197.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2323.121391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.121391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.121391 (E_RNA) where: Base-Base interactions energy: -1626.435 where: short stacking energy: -686.098 Base-Backbone interact. energy: -4.851 local terms energy: -691.835286 where: bonds (distance) C4'-P energy: -121.604 bonds (distance) P-C4' energy: -112.490 flat angles C4'-P-C4' energy: -143.695 flat angles P-C4'-P energy: -95.462 tors. eta vs tors. theta energy: -218.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2203.975285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.975285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.975285 (E_RNA) where: Base-Base interactions energy: -1538.016 where: short stacking energy: -669.032 Base-Backbone interact. energy: -1.042 local terms energy: -664.916710 where: bonds (distance) C4'-P energy: -113.833 bonds (distance) P-C4' energy: -124.204 flat angles C4'-P-C4' energy: -153.028 flat angles P-C4'-P energy: -82.364 tors. eta vs tors. theta energy: -191.489 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: 87 Temperature: 1.150000 Total energy: -1970.340068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.340068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.340068 (E_RNA) where: Base-Base interactions energy: -1354.043 where: short stacking energy: -553.360 Base-Backbone interact. energy: -1.150 local terms energy: -615.147694 where: bonds (distance) C4'-P energy: -116.726 bonds (distance) P-C4' energy: -120.770 flat angles C4'-P-C4' energy: -148.642 flat angles P-C4'-P energy: -81.396 tors. eta vs tors. theta energy: -147.614 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: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1604.489886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.489886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.489886 (E_RNA) where: Base-Base interactions energy: -1074.427 where: short stacking energy: -479.153 Base-Backbone interact. energy: 3.020 local terms energy: -533.083545 where: bonds (distance) C4'-P energy: -121.161 bonds (distance) P-C4' energy: -108.599 flat angles C4'-P-C4' energy: -127.814 flat angles P-C4'-P energy: -69.812 tors. eta vs tors. theta energy: -105.697 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: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1517.033329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.033329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.033329 (E_RNA) where: Base-Base interactions energy: -1017.438 where: short stacking energy: -423.054 Base-Backbone interact. energy: 0.172 local terms energy: -499.767047 where: bonds (distance) C4'-P energy: -98.964 bonds (distance) P-C4' energy: -122.748 flat angles C4'-P-C4' energy: -110.561 flat angles P-C4'-P energy: -66.696 tors. eta vs tors. theta energy: -100.797 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: 87 Temperature: 1.300000 Total energy: -1282.297879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.297879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.297879 (E_RNA) where: Base-Base interactions energy: -822.954 where: short stacking energy: -361.572 Base-Backbone interact. energy: 0.144 local terms energy: -459.488252 where: bonds (distance) C4'-P energy: -114.904 bonds (distance) P-C4' energy: -99.435 flat angles C4'-P-C4' energy: -108.164 flat angles P-C4'-P energy: -67.635 tors. eta vs tors. theta energy: -69.351 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: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -968.212188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.212188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.212188 (E_RNA) where: Base-Base interactions energy: -592.334 where: short stacking energy: -288.154 Base-Backbone interact. energy: 3.902 local terms energy: -379.779813 where: bonds (distance) C4'-P energy: -96.633 bonds (distance) P-C4' energy: -112.102 flat angles C4'-P-C4' energy: -93.562 flat angles P-C4'-P energy: -60.491 tors. eta vs tors. theta energy: -16.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2602.080028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.080028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.080028 (E_RNA) where: Base-Base interactions energy: -1847.914 where: short stacking energy: -763.786 Base-Backbone interact. energy: -1.924 local terms energy: -752.241879 where: bonds (distance) C4'-P energy: -131.298 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -161.002 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -217.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2485.266482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.266482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.266482 (E_RNA) where: Base-Base interactions energy: -1744.909 where: short stacking energy: -733.924 Base-Backbone interact. energy: -1.064 local terms energy: -739.293539 where: bonds (distance) C4'-P energy: -121.926 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -161.172 flat angles P-C4'-P energy: -103.403 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: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2370.045452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.045452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.045452 (E_RNA) where: Base-Base interactions energy: -1675.965 where: short stacking energy: -694.583 Base-Backbone interact. energy: -1.022 local terms energy: -693.058442 where: bonds (distance) C4'-P energy: -121.585 bonds (distance) P-C4' energy: -121.612 flat angles C4'-P-C4' energy: -151.616 flat angles P-C4'-P energy: -92.483 tors. eta vs tors. theta energy: -205.762 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: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2282.808935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.808935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.808935 (E_RNA) where: Base-Base interactions energy: -1600.632 where: short stacking energy: -673.769 Base-Backbone interact. energy: -2.551 local terms energy: -679.625842 where: bonds (distance) C4'-P energy: -121.911 bonds (distance) P-C4' energy: -103.202 flat angles C4'-P-C4' energy: -144.508 flat angles P-C4'-P energy: -103.702 tors. eta vs tors. theta energy: -206.302 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: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2191.196163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.196163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.196163 (E_RNA) where: Base-Base interactions energy: -1544.614 where: short stacking energy: -645.852 Base-Backbone interact. energy: -4.199 local terms energy: -642.382450 where: bonds (distance) C4'-P energy: -107.774 bonds (distance) P-C4' energy: -121.602 flat angles C4'-P-C4' energy: -132.519 flat angles P-C4'-P energy: -97.117 tors. eta vs tors. theta energy: -183.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1913.238659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.238659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.238659 (E_RNA) where: Base-Base interactions energy: -1309.270 where: short stacking energy: -547.283 Base-Backbone interact. energy: -2.089 local terms energy: -601.880093 where: bonds (distance) C4'-P energy: -104.313 bonds (distance) P-C4' energy: -128.678 flat angles C4'-P-C4' energy: -136.088 flat angles P-C4'-P energy: -72.819 tors. eta vs tors. theta energy: -159.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1624.419617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.419617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.419617 (E_RNA) where: Base-Base interactions energy: -1106.691 where: short stacking energy: -481.907 Base-Backbone interact. energy: -2.324 local terms energy: -515.403919 where: bonds (distance) C4'-P energy: -100.046 bonds (distance) P-C4' energy: -106.166 flat angles C4'-P-C4' energy: -121.214 flat angles P-C4'-P energy: -82.156 tors. eta vs tors. theta energy: -105.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1502.827020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.827020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.827020 (E_RNA) where: Base-Base interactions energy: -990.961 where: short stacking energy: -460.301 Base-Backbone interact. energy: 3.765 local terms energy: -515.630443 where: bonds (distance) C4'-P energy: -110.221 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -124.025 flat angles P-C4'-P energy: -60.714 tors. eta vs tors. theta energy: -101.792 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: 88 Temperature: 1.300000 Total energy: -1187.539780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.539780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.539780 (E_RNA) where: Base-Base interactions energy: -766.837 where: short stacking energy: -342.101 Base-Backbone interact. energy: 1.002 local terms energy: -421.704958 where: bonds (distance) C4'-P energy: -104.010 bonds (distance) P-C4' energy: -88.877 flat angles C4'-P-C4' energy: -119.199 flat angles P-C4'-P energy: -58.042 tors. eta vs tors. theta energy: -51.577 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: 88 Temperature: 1.350000 Total energy: -1020.963340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.963340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.963340 (E_RNA) where: Base-Base interactions energy: -580.401 where: short stacking energy: -300.276 Base-Backbone interact. energy: -3.010 local terms energy: -437.552108 where: bonds (distance) C4'-P energy: -117.956 bonds (distance) P-C4' energy: -120.835 flat angles C4'-P-C4' energy: -114.684 flat angles P-C4'-P energy: -55.066 tors. eta vs tors. theta energy: -29.011 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: 6 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2603.212534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.212534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.212534 (E_RNA) where: Base-Base interactions energy: -1862.174 where: short stacking energy: -763.915 Base-Backbone interact. energy: 1.114 local terms energy: -742.152360 where: bonds (distance) C4'-P energy: -130.417 bonds (distance) P-C4' energy: -133.522 flat angles C4'-P-C4' energy: -158.146 flat angles P-C4'-P energy: -103.685 tors. eta vs tors. theta energy: -216.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2479.207786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.207786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.207786 (E_RNA) where: Base-Base interactions energy: -1729.199 where: short stacking energy: -734.791 Base-Backbone interact. energy: -0.414 local terms energy: -749.595268 where: bonds (distance) C4'-P energy: -130.846 bonds (distance) P-C4' energy: -130.196 flat angles C4'-P-C4' energy: -159.792 flat angles P-C4'-P energy: -102.342 tors. eta vs tors. theta energy: -226.420 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: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2381.168210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.168210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.168210 (E_RNA) where: Base-Base interactions energy: -1656.558 where: short stacking energy: -702.267 Base-Backbone interact. energy: -1.359 local terms energy: -723.251735 where: bonds (distance) C4'-P energy: -142.150 bonds (distance) P-C4' energy: -123.749 flat angles C4'-P-C4' energy: -157.240 flat angles P-C4'-P energy: -85.607 tors. eta vs tors. theta energy: -214.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2256.184446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.184446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.184446 (E_RNA) where: Base-Base interactions energy: -1589.485 where: short stacking energy: -672.927 Base-Backbone interact. energy: -2.152 local terms energy: -664.547007 where: bonds (distance) C4'-P energy: -103.150 bonds (distance) P-C4' energy: -129.665 flat angles C4'-P-C4' energy: -143.421 flat angles P-C4'-P energy: -85.713 tors. eta vs tors. theta energy: -202.597 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: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2237.674423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.674423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.674423 (E_RNA) where: Base-Base interactions energy: -1560.495 where: short stacking energy: -688.476 Base-Backbone interact. energy: 2.463 local terms energy: -679.641767 where: bonds (distance) C4'-P energy: -116.391 bonds (distance) P-C4' energy: -115.038 flat angles C4'-P-C4' energy: -133.200 flat angles P-C4'-P energy: -105.483 tors. eta vs tors. theta energy: -209.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1950.675748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.675748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.675748 (E_RNA) where: Base-Base interactions energy: -1335.884 where: short stacking energy: -570.325 Base-Backbone interact. energy: -1.330 local terms energy: -613.461378 where: bonds (distance) C4'-P energy: -106.926 bonds (distance) P-C4' energy: -121.657 flat angles C4'-P-C4' energy: -143.298 flat angles P-C4'-P energy: -86.471 tors. eta vs tors. theta energy: -155.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1658.498906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.498906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.498906 (E_RNA) where: Base-Base interactions energy: -1115.058 where: short stacking energy: -490.062 Base-Backbone interact. energy: -1.504 local terms energy: -541.936783 where: bonds (distance) C4'-P energy: -105.278 bonds (distance) P-C4' energy: -119.525 flat angles C4'-P-C4' energy: -111.360 flat angles P-C4'-P energy: -82.189 tors. eta vs tors. theta energy: -123.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1457.541222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.541222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.541222 (E_RNA) where: Base-Base interactions energy: -934.424 where: short stacking energy: -406.809 Base-Backbone interact. energy: -3.209 local terms energy: -519.908402 where: bonds (distance) C4'-P energy: -93.149 bonds (distance) P-C4' energy: -123.459 flat angles C4'-P-C4' energy: -120.232 flat angles P-C4'-P energy: -78.673 tors. eta vs tors. theta energy: -104.395 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: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1172.693451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.693451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.693451 (E_RNA) where: Base-Base interactions energy: -750.960 where: short stacking energy: -344.833 Base-Backbone interact. energy: -2.082 local terms energy: -419.651134 where: bonds (distance) C4'-P energy: -83.904 bonds (distance) P-C4' energy: -119.161 flat angles C4'-P-C4' energy: -94.534 flat angles P-C4'-P energy: -63.143 tors. eta vs tors. theta energy: -58.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -999.578050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.578050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.578050 (E_RNA) where: Base-Base interactions energy: -587.857 where: short stacking energy: -274.538 Base-Backbone interact. energy: 2.629 local terms energy: -414.350495 where: bonds (distance) C4'-P energy: -100.116 bonds (distance) P-C4' energy: -117.405 flat angles C4'-P-C4' energy: -92.836 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: -36.115 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: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2608.063659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.063659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.063659 (E_RNA) where: Base-Base interactions energy: -1875.234 where: short stacking energy: -771.797 Base-Backbone interact. energy: 1.044 local terms energy: -733.873483 where: bonds (distance) C4'-P energy: -127.668 bonds (distance) P-C4' energy: -129.157 flat angles C4'-P-C4' energy: -156.014 flat angles P-C4'-P energy: -100.019 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: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2488.760976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.760976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.760976 (E_RNA) where: Base-Base interactions energy: -1753.460 where: short stacking energy: -736.672 Base-Backbone interact. energy: -1.245 local terms energy: -734.056291 where: bonds (distance) C4'-P energy: -123.757 bonds (distance) P-C4' energy: -133.331 flat angles C4'-P-C4' energy: -157.850 flat angles P-C4'-P energy: -94.914 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: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2348.829079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.829079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.829079 (E_RNA) where: Base-Base interactions energy: -1672.877 where: short stacking energy: -699.610 Base-Backbone interact. energy: -3.560 local terms energy: -672.392249 where: bonds (distance) C4'-P energy: -121.299 bonds (distance) P-C4' energy: -120.374 flat angles C4'-P-C4' energy: -143.872 flat angles P-C4'-P energy: -90.476 tors. eta vs tors. theta energy: -196.371 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: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2253.669636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.669636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.669636 (E_RNA) where: Base-Base interactions energy: -1585.097 where: short stacking energy: -640.289 Base-Backbone interact. energy: 1.202 local terms energy: -669.774585 where: bonds (distance) C4'-P energy: -126.883 bonds (distance) P-C4' energy: -132.651 flat angles C4'-P-C4' energy: -128.403 flat angles P-C4'-P energy: -89.916 tors. eta vs tors. theta energy: -191.921 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: 4 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2182.983722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.983722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.983722 (E_RNA) where: Base-Base interactions energy: -1537.781 where: short stacking energy: -671.014 Base-Backbone interact. energy: -1.473 local terms energy: -643.728863 where: bonds (distance) C4'-P energy: -116.857 bonds (distance) P-C4' energy: -106.483 flat angles C4'-P-C4' energy: -143.087 flat angles P-C4'-P energy: -84.355 tors. eta vs tors. theta energy: -192.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1953.411897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.411897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.411897 (E_RNA) where: Base-Base interactions energy: -1343.181 where: short stacking energy: -570.915 Base-Backbone interact. energy: -2.568 local terms energy: -607.662732 where: bonds (distance) C4'-P energy: -115.251 bonds (distance) P-C4' energy: -102.019 flat angles C4'-P-C4' energy: -136.992 flat angles P-C4'-P energy: -96.139 tors. eta vs tors. theta energy: -157.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1684.828239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.828239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.828239 (E_RNA) where: Base-Base interactions energy: -1091.858 where: short stacking energy: -493.422 Base-Backbone interact. energy: -1.191 local terms energy: -591.779351 where: bonds (distance) C4'-P energy: -117.125 bonds (distance) P-C4' energy: -124.937 flat angles C4'-P-C4' energy: -131.135 flat angles P-C4'-P energy: -93.539 tors. eta vs tors. theta energy: -125.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1480.626224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.626224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.626224 (E_RNA) where: Base-Base interactions energy: -956.788 where: short stacking energy: -439.332 Base-Backbone interact. energy: -1.901 local terms energy: -521.937113 where: bonds (distance) C4'-P energy: -110.342 bonds (distance) P-C4' energy: -122.477 flat angles C4'-P-C4' energy: -108.138 flat angles P-C4'-P energy: -85.283 tors. eta vs tors. theta energy: -95.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1153.135873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.135873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.135873 (E_RNA) where: Base-Base interactions energy: -734.222 where: short stacking energy: -296.101 Base-Backbone interact. energy: -5.206 local terms energy: -413.707856 where: bonds (distance) C4'-P energy: -99.593 bonds (distance) P-C4' energy: -104.976 flat angles C4'-P-C4' energy: -102.238 flat angles P-C4'-P energy: -70.702 tors. eta vs tors. theta energy: -36.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -996.977406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.977406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.977406 (E_RNA) where: Base-Base interactions energy: -575.637 where: short stacking energy: -294.017 Base-Backbone interact. energy: -0.724 local terms energy: -420.616245 where: bonds (distance) C4'-P energy: -96.948 bonds (distance) P-C4' energy: -129.044 flat angles C4'-P-C4' energy: -97.080 flat angles P-C4'-P energy: -64.749 tors. eta vs tors. theta energy: -32.796 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: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2579.771931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.771931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.771931 (E_RNA) where: Base-Base interactions energy: -1833.340 where: short stacking energy: -745.609 Base-Backbone interact. energy: -6.024 local terms energy: -740.407796 where: bonds (distance) C4'-P energy: -127.010 bonds (distance) P-C4' energy: -137.233 flat angles C4'-P-C4' energy: -154.752 flat angles P-C4'-P energy: -105.831 tors. eta vs tors. theta energy: -215.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2490.703304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.703304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.703304 (E_RNA) where: Base-Base interactions energy: -1757.067 where: short stacking energy: -742.423 Base-Backbone interact. energy: -0.301 local terms energy: -733.334490 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -126.219 flat angles C4'-P-C4' energy: -167.742 flat angles P-C4'-P energy: -97.311 tors. eta vs tors. theta energy: -230.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2337.039783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.039783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.039783 (E_RNA) where: Base-Base interactions energy: -1659.364 where: short stacking energy: -699.400 Base-Backbone interact. energy: -1.112 local terms energy: -676.564093 where: bonds (distance) C4'-P energy: -119.362 bonds (distance) P-C4' energy: -108.311 flat angles C4'-P-C4' energy: -146.096 flat angles P-C4'-P energy: -96.126 tors. eta vs tors. theta energy: -206.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2235.352878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.352878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.352878 (E_RNA) where: Base-Base interactions energy: -1558.501 where: short stacking energy: -655.193 Base-Backbone interact. energy: -4.007 local terms energy: -672.844975 where: bonds (distance) C4'-P energy: -112.613 bonds (distance) P-C4' energy: -133.507 flat angles C4'-P-C4' energy: -130.287 flat angles P-C4'-P energy: -88.802 tors. eta vs tors. theta energy: -207.637 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: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2206.320301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.320301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.320301 (E_RNA) where: Base-Base interactions energy: -1564.610 where: short stacking energy: -651.349 Base-Backbone interact. energy: 0.093 local terms energy: -641.803142 where: bonds (distance) C4'-P energy: -114.336 bonds (distance) P-C4' energy: -102.152 flat angles C4'-P-C4' energy: -128.699 flat angles P-C4'-P energy: -91.706 tors. eta vs tors. theta energy: -204.909 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: 91 Temperature: 1.150000 Total energy: -1969.471884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.471884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.471884 (E_RNA) where: Base-Base interactions energy: -1345.015 where: short stacking energy: -550.458 Base-Backbone interact. energy: -0.644 local terms energy: -623.812489 where: bonds (distance) C4'-P energy: -102.343 bonds (distance) P-C4' energy: -123.346 flat angles C4'-P-C4' energy: -142.362 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -163.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1667.914775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.914775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.914775 (E_RNA) where: Base-Base interactions energy: -1103.476 where: short stacking energy: -493.812 Base-Backbone interact. energy: 0.284 local terms energy: -564.723036 where: bonds (distance) C4'-P energy: -109.971 bonds (distance) P-C4' energy: -114.633 flat angles C4'-P-C4' energy: -131.967 flat angles P-C4'-P energy: -76.548 tors. eta vs tors. theta energy: -131.604 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: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1492.956279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.956279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.956279 (E_RNA) where: Base-Base interactions energy: -966.781 where: short stacking energy: -439.256 Base-Backbone interact. energy: -1.532 local terms energy: -524.642570 where: bonds (distance) C4'-P energy: -117.637 bonds (distance) P-C4' energy: -111.360 flat angles C4'-P-C4' energy: -107.485 flat angles P-C4'-P energy: -81.948 tors. eta vs tors. theta energy: -106.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1151.508063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.508063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.508063 (E_RNA) where: Base-Base interactions energy: -711.909 where: short stacking energy: -335.876 Base-Backbone interact. energy: -2.036 local terms energy: -437.563625 where: bonds (distance) C4'-P energy: -118.271 bonds (distance) P-C4' energy: -98.871 flat angles C4'-P-C4' energy: -109.824 flat angles P-C4'-P energy: -50.088 tors. eta vs tors. theta energy: -60.509 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: 91 Temperature: 1.350000 Total energy: -957.010272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.010272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.010272 (E_RNA) where: Base-Base interactions energy: -555.386 where: short stacking energy: -273.624 Base-Backbone interact. energy: -4.832 local terms energy: -396.792572 where: bonds (distance) C4'-P energy: -112.472 bonds (distance) P-C4' energy: -109.469 flat angles C4'-P-C4' energy: -82.557 flat angles P-C4'-P energy: -67.710 tors. eta vs tors. theta energy: -24.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2568.275675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.275675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.275675 (E_RNA) where: Base-Base interactions energy: -1807.293 where: short stacking energy: -735.307 Base-Backbone interact. energy: -3.350 local terms energy: -757.632292 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -135.677 flat angles C4'-P-C4' energy: -158.902 flat angles P-C4'-P energy: -110.312 tors. eta vs tors. theta energy: -219.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2495.173383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.173383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.173383 (E_RNA) where: Base-Base interactions energy: -1738.873 where: short stacking energy: -717.672 Base-Backbone interact. energy: -2.815 local terms energy: -753.485265 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -139.374 flat angles C4'-P-C4' energy: -148.445 flat angles P-C4'-P energy: -107.770 tors. eta vs tors. theta energy: -220.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2384.216821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.216821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.216821 (E_RNA) where: Base-Base interactions energy: -1672.640 where: short stacking energy: -696.348 Base-Backbone interact. energy: -2.555 local terms energy: -709.022676 where: bonds (distance) C4'-P energy: -124.463 bonds (distance) P-C4' energy: -134.434 flat angles C4'-P-C4' energy: -152.366 flat angles P-C4'-P energy: -102.592 tors. eta vs tors. theta energy: -195.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2263.383572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.383572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.383572 (E_RNA) where: Base-Base interactions energy: -1582.770 where: short stacking energy: -694.575 Base-Backbone interact. energy: -0.009 local terms energy: -680.604657 where: bonds (distance) C4'-P energy: -113.132 bonds (distance) P-C4' energy: -114.495 flat angles C4'-P-C4' energy: -153.732 flat angles P-C4'-P energy: -93.818 tors. eta vs tors. theta energy: -205.428 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: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2189.695333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.695333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.695333 (E_RNA) where: Base-Base interactions energy: -1547.956 where: short stacking energy: -635.449 Base-Backbone interact. energy: 1.861 local terms energy: -643.601050 where: bonds (distance) C4'-P energy: -108.218 bonds (distance) P-C4' energy: -114.336 flat angles C4'-P-C4' energy: -137.541 flat angles P-C4'-P energy: -87.736 tors. eta vs tors. theta energy: -195.769 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: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1967.407330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.407330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.407330 (E_RNA) where: Base-Base interactions energy: -1319.849 where: short stacking energy: -585.256 Base-Backbone interact. energy: -0.515 local terms energy: -647.043082 where: bonds (distance) C4'-P energy: -110.670 bonds (distance) P-C4' energy: -122.666 flat angles C4'-P-C4' energy: -139.596 flat angles P-C4'-P energy: -105.131 tors. eta vs tors. theta energy: -168.980 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: 92 Temperature: 1.200000 Total energy: -1657.156213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.156213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.156213 (E_RNA) where: Base-Base interactions energy: -1083.340 where: short stacking energy: -469.783 Base-Backbone interact. energy: -4.601 local terms energy: -569.215565 where: bonds (distance) C4'-P energy: -122.540 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -119.638 flat angles P-C4'-P energy: -83.276 tors. eta vs tors. theta energy: -126.446 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: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1482.196566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.196566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.196566 (E_RNA) where: Base-Base interactions energy: -948.173 where: short stacking energy: -423.196 Base-Backbone interact. energy: -3.273 local terms energy: -530.750683 where: bonds (distance) C4'-P energy: -109.762 bonds (distance) P-C4' energy: -119.776 flat angles C4'-P-C4' energy: -118.522 flat angles P-C4'-P energy: -79.036 tors. eta vs tors. theta energy: -103.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1194.934202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.934202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.934202 (E_RNA) where: Base-Base interactions energy: -742.324 where: short stacking energy: -349.460 Base-Backbone interact. energy: -0.850 local terms energy: -451.759384 where: bonds (distance) C4'-P energy: -113.246 bonds (distance) P-C4' energy: -94.296 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -77.967 tors. eta vs tors. theta energy: -62.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -965.750539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.750539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.750539 (E_RNA) where: Base-Base interactions energy: -581.473 where: short stacking energy: -273.495 Base-Backbone interact. energy: 2.662 local terms energy: -386.939712 where: bonds (distance) C4'-P energy: -87.921 bonds (distance) P-C4' energy: -104.762 flat angles C4'-P-C4' energy: -107.689 flat angles P-C4'-P energy: -72.887 tors. eta vs tors. theta energy: -13.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2600.412047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.412047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.412047 (E_RNA) where: Base-Base interactions energy: -1855.954 where: short stacking energy: -742.825 Base-Backbone interact. energy: -1.212 local terms energy: -743.246814 where: bonds (distance) C4'-P energy: -143.627 bonds (distance) P-C4' energy: -110.947 flat angles C4'-P-C4' energy: -152.164 flat angles P-C4'-P energy: -121.114 tors. eta vs tors. theta energy: -215.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2532.082961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.082961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.082961 (E_RNA) where: Base-Base interactions energy: -1772.545 where: short stacking energy: -737.558 Base-Backbone interact. energy: -2.703 local terms energy: -756.834370 where: bonds (distance) C4'-P energy: -138.038 bonds (distance) P-C4' energy: -134.139 flat angles C4'-P-C4' energy: -151.911 flat angles P-C4'-P energy: -99.071 tors. eta vs tors. theta energy: -233.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2365.079637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.079637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.079637 (E_RNA) where: Base-Base interactions energy: -1661.918 where: short stacking energy: -694.849 Base-Backbone interact. energy: -1.650 local terms energy: -701.511672 where: bonds (distance) C4'-P energy: -121.266 bonds (distance) P-C4' energy: -132.014 flat angles C4'-P-C4' energy: -152.571 flat angles P-C4'-P energy: -92.037 tors. eta vs tors. theta energy: -203.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2188.903616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.903616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.903616 (E_RNA) where: Base-Base interactions energy: -1516.215 where: short stacking energy: -639.282 Base-Backbone interact. energy: -3.451 local terms energy: -669.238191 where: bonds (distance) C4'-P energy: -126.181 bonds (distance) P-C4' energy: -121.943 flat angles C4'-P-C4' energy: -147.069 flat angles P-C4'-P energy: -84.713 tors. eta vs tors. theta energy: -189.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2118.881571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.881571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.881571 (E_RNA) where: Base-Base interactions energy: -1488.129 where: short stacking energy: -628.313 Base-Backbone interact. energy: -0.864 local terms energy: -629.888522 where: bonds (distance) C4'-P energy: -121.356 bonds (distance) P-C4' energy: -116.847 flat angles C4'-P-C4' energy: -123.299 flat angles P-C4'-P energy: -76.937 tors. eta vs tors. theta energy: -191.450 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: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2025.538987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.538987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.538987 (E_RNA) where: Base-Base interactions energy: -1397.350 where: short stacking energy: -589.192 Base-Backbone interact. energy: 2.466 local terms energy: -630.655490 where: bonds (distance) C4'-P energy: -110.853 bonds (distance) P-C4' energy: -123.517 flat angles C4'-P-C4' energy: -137.497 flat angles P-C4'-P energy: -79.372 tors. eta vs tors. theta energy: -179.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1672.367109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.367109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.367109 (E_RNA) where: Base-Base interactions energy: -1118.947 where: short stacking energy: -483.098 Base-Backbone interact. energy: 1.987 local terms energy: -555.407035 where: bonds (distance) C4'-P energy: -118.577 bonds (distance) P-C4' energy: -103.194 flat angles C4'-P-C4' energy: -132.951 flat angles P-C4'-P energy: -80.151 tors. eta vs tors. theta energy: -120.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1501.730737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.730737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.730737 (E_RNA) where: Base-Base interactions energy: -991.752 where: short stacking energy: -443.636 Base-Backbone interact. energy: -1.752 local terms energy: -508.227068 where: bonds (distance) C4'-P energy: -110.124 bonds (distance) P-C4' energy: -122.152 flat angles C4'-P-C4' energy: -110.500 flat angles P-C4'-P energy: -63.534 tors. eta vs tors. theta energy: -101.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1178.949758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.949758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.949758 (E_RNA) where: Base-Base interactions energy: -708.992 where: short stacking energy: -331.755 Base-Backbone interact. energy: -1.385 local terms energy: -468.572799 where: bonds (distance) C4'-P energy: -116.765 bonds (distance) P-C4' energy: -109.651 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -82.092 tors. eta vs tors. theta energy: -50.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -971.364970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.364970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.364970 (E_RNA) where: Base-Base interactions energy: -567.470 where: short stacking energy: -278.989 Base-Backbone interact. energy: 0.186 local terms energy: -404.081179 where: bonds (distance) C4'-P energy: -95.129 bonds (distance) P-C4' energy: -119.234 flat angles C4'-P-C4' energy: -107.668 flat angles P-C4'-P energy: -68.349 tors. eta vs tors. theta energy: -13.702 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: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2588.989598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.989598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.989598 (E_RNA) where: Base-Base interactions energy: -1844.804 where: short stacking energy: -730.132 Base-Backbone interact. energy: -0.204 local terms energy: -743.981656 where: bonds (distance) C4'-P energy: -144.212 bonds (distance) P-C4' energy: -107.171 flat angles C4'-P-C4' energy: -171.330 flat angles P-C4'-P energy: -113.672 tors. eta vs tors. theta energy: -207.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2539.952218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.952218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.952218 (E_RNA) where: Base-Base interactions energy: -1776.003 where: short stacking energy: -728.906 Base-Backbone interact. energy: -2.065 local terms energy: -761.884254 where: bonds (distance) C4'-P energy: -132.600 bonds (distance) P-C4' energy: -139.717 flat angles C4'-P-C4' energy: -159.431 flat angles P-C4'-P energy: -108.807 tors. eta vs tors. theta energy: -221.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2380.606626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.606626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.606626 (E_RNA) where: Base-Base interactions energy: -1676.388 where: short stacking energy: -725.697 Base-Backbone interact. energy: -1.510 local terms energy: -702.708232 where: bonds (distance) C4'-P energy: -126.330 bonds (distance) P-C4' energy: -112.617 flat angles C4'-P-C4' energy: -160.684 flat angles P-C4'-P energy: -89.023 tors. eta vs tors. theta energy: -214.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2224.562513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.562513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.562513 (E_RNA) where: Base-Base interactions energy: -1528.993 where: short stacking energy: -663.349 Base-Backbone interact. energy: -2.601 local terms energy: -692.968195 where: bonds (distance) C4'-P energy: -127.338 bonds (distance) P-C4' energy: -138.172 flat angles C4'-P-C4' energy: -142.249 flat angles P-C4'-P energy: -88.777 tors. eta vs tors. theta energy: -196.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2106.611909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.611909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.611909 (E_RNA) where: Base-Base interactions energy: -1481.649 where: short stacking energy: -629.589 Base-Backbone interact. energy: 0.206 local terms energy: -625.168453 where: bonds (distance) C4'-P energy: -121.244 bonds (distance) P-C4' energy: -104.371 flat angles C4'-P-C4' energy: -134.159 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -186.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2030.080586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.080586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.080586 (E_RNA) where: Base-Base interactions energy: -1388.095 where: short stacking energy: -627.412 Base-Backbone interact. energy: 0.269 local terms energy: -642.254238 where: bonds (distance) C4'-P energy: -123.141 bonds (distance) P-C4' energy: -130.232 flat angles C4'-P-C4' energy: -131.145 flat angles P-C4'-P energy: -76.571 tors. eta vs tors. theta energy: -181.165 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: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1682.689079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.689079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.689079 (E_RNA) where: Base-Base interactions energy: -1109.557 where: short stacking energy: -487.520 Base-Backbone interact. energy: -2.641 local terms energy: -570.491475 where: bonds (distance) C4'-P energy: -121.768 bonds (distance) P-C4' energy: -117.979 flat angles C4'-P-C4' energy: -127.946 flat angles P-C4'-P energy: -82.031 tors. eta vs tors. theta energy: -120.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1514.318939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.318939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.318939 (E_RNA) where: Base-Base interactions energy: -1029.996 where: short stacking energy: -464.949 Base-Backbone interact. energy: -1.218 local terms energy: -483.104880 where: bonds (distance) C4'-P energy: -99.486 bonds (distance) P-C4' energy: -93.225 flat angles C4'-P-C4' energy: -103.244 flat angles P-C4'-P energy: -75.373 tors. eta vs tors. theta energy: -111.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1181.341712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.341712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.341712 (E_RNA) where: Base-Base interactions energy: -718.548 where: short stacking energy: -324.145 Base-Backbone interact. energy: 0.568 local terms energy: -463.361467 where: bonds (distance) C4'-P energy: -111.893 bonds (distance) P-C4' energy: -114.377 flat angles C4'-P-C4' energy: -115.210 flat angles P-C4'-P energy: -70.448 tors. eta vs tors. theta energy: -51.434 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: 94 Temperature: 1.350000 Total energy: -958.612015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.612015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.612015 (E_RNA) where: Base-Base interactions energy: -576.449 where: short stacking energy: -253.235 Base-Backbone interact. energy: 0.990 local terms energy: -383.153079 where: bonds (distance) C4'-P energy: -105.660 bonds (distance) P-C4' energy: -99.388 flat angles C4'-P-C4' energy: -82.052 flat angles P-C4'-P energy: -67.931 tors. eta vs tors. theta energy: -28.122 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: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2573.272266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.272266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.272266 (E_RNA) where: Base-Base interactions energy: -1835.277 where: short stacking energy: -722.335 Base-Backbone interact. energy: -5.448 local terms energy: -732.547312 where: bonds (distance) C4'-P energy: -129.336 bonds (distance) P-C4' energy: -128.909 flat angles C4'-P-C4' energy: -165.157 flat angles P-C4'-P energy: -107.005 tors. eta vs tors. theta energy: -202.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2500.369472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.369472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.369472 (E_RNA) where: Base-Base interactions energy: -1770.087 where: short stacking energy: -714.914 Base-Backbone interact. energy: -3.097 local terms energy: -727.185755 where: bonds (distance) C4'-P energy: -124.803 bonds (distance) P-C4' energy: -126.782 flat angles C4'-P-C4' energy: -161.159 flat angles P-C4'-P energy: -108.056 tors. eta vs tors. theta energy: -206.386 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: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2383.619274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.619274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.619274 (E_RNA) where: Base-Base interactions energy: -1664.664 where: short stacking energy: -692.925 Base-Backbone interact. energy: 1.681 local terms energy: -720.636874 where: bonds (distance) C4'-P energy: -124.056 bonds (distance) P-C4' energy: -142.581 flat angles C4'-P-C4' energy: -147.037 flat angles P-C4'-P energy: -102.849 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: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2252.366857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.366857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.366857 (E_RNA) where: Base-Base interactions energy: -1585.209 where: short stacking energy: -697.632 Base-Backbone interact. energy: -2.058 local terms energy: -665.099742 where: bonds (distance) C4'-P energy: -109.726 bonds (distance) P-C4' energy: -113.135 flat angles C4'-P-C4' energy: -150.012 flat angles P-C4'-P energy: -94.027 tors. eta vs tors. theta energy: -198.199 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: 95 Temperature: 1.100000 Total energy: -2049.389127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.389127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.389127 (E_RNA) where: Base-Base interactions energy: -1418.295 where: short stacking energy: -609.467 Base-Backbone interact. energy: -1.530 local terms energy: -629.564220 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -122.848 flat angles C4'-P-C4' energy: -139.222 flat angles P-C4'-P energy: -73.097 tors. eta vs tors. theta energy: -174.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2092.928331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.928331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.928331 (E_RNA) where: Base-Base interactions energy: -1479.220 where: short stacking energy: -627.228 Base-Backbone interact. energy: 0.367 local terms energy: -614.075132 where: bonds (distance) C4'-P energy: -100.072 bonds (distance) P-C4' energy: -102.542 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -93.857 tors. eta vs tors. theta energy: -181.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1708.412598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.412598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.412598 (E_RNA) where: Base-Base interactions energy: -1183.038 where: short stacking energy: -525.612 Base-Backbone interact. energy: -1.517 local terms energy: -523.857676 where: bonds (distance) C4'-P energy: -97.958 bonds (distance) P-C4' energy: -108.303 flat angles C4'-P-C4' energy: -113.005 flat angles P-C4'-P energy: -85.423 tors. eta vs tors. theta energy: -119.169 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: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1511.839049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.839049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.839049 (E_RNA) where: Base-Base interactions energy: -966.995 where: short stacking energy: -442.786 Base-Backbone interact. energy: 1.021 local terms energy: -545.865717 where: bonds (distance) C4'-P energy: -127.754 bonds (distance) P-C4' energy: -132.745 flat angles C4'-P-C4' energy: -108.960 flat angles P-C4'-P energy: -68.165 tors. eta vs tors. theta energy: -108.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1252.848629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.848629 (E_RNA) where: Base-Base interactions energy: -793.957 where: short stacking energy: -347.770 Base-Backbone interact. energy: -0.113 local terms energy: -458.778771 where: bonds (distance) C4'-P energy: -114.783 bonds (distance) P-C4' energy: -97.066 flat angles C4'-P-C4' energy: -131.438 flat angles P-C4'-P energy: -63.290 tors. eta vs tors. theta energy: -52.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -837.838554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.838554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.838554 (E_RNA) where: Base-Base interactions energy: -465.444 where: short stacking energy: -232.378 Base-Backbone interact. energy: 0.754 local terms energy: -373.149379 where: bonds (distance) C4'-P energy: -109.806 bonds (distance) P-C4' energy: -107.663 flat angles C4'-P-C4' energy: -95.338 flat angles P-C4'-P energy: -45.746 tors. eta vs tors. theta energy: -14.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2549.078114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.078114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.078114 (E_RNA) where: Base-Base interactions energy: -1783.043 where: short stacking energy: -733.824 Base-Backbone interact. energy: -1.317 local terms energy: -764.718332 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -138.981 flat angles C4'-P-C4' energy: -162.049 flat angles P-C4'-P energy: -104.721 tors. eta vs tors. theta energy: -226.075 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: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2532.689516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.689516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.689516 (E_RNA) where: Base-Base interactions energy: -1825.623 where: short stacking energy: -730.548 Base-Backbone interact. energy: -0.644 local terms energy: -706.422849 where: bonds (distance) C4'-P energy: -108.051 bonds (distance) P-C4' energy: -122.373 flat angles C4'-P-C4' energy: -156.111 flat angles P-C4'-P energy: -109.773 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: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2387.428188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.428188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.428188 (E_RNA) where: Base-Base interactions energy: -1669.074 where: short stacking energy: -687.049 Base-Backbone interact. energy: -0.550 local terms energy: -717.803228 where: bonds (distance) C4'-P energy: -132.039 bonds (distance) P-C4' energy: -130.391 flat angles C4'-P-C4' energy: -160.193 flat angles P-C4'-P energy: -96.171 tors. eta vs tors. theta energy: -199.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2249.612581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.612581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.612581 (E_RNA) where: Base-Base interactions energy: -1535.387 where: short stacking energy: -633.854 Base-Backbone interact. energy: -0.135 local terms energy: -714.090231 where: bonds (distance) C4'-P energy: -122.402 bonds (distance) P-C4' energy: -143.058 flat angles C4'-P-C4' energy: -148.154 flat angles P-C4'-P energy: -100.139 tors. eta vs tors. theta energy: -200.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2079.436952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.436952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.436952 (E_RNA) where: Base-Base interactions energy: -1446.299 where: short stacking energy: -579.684 Base-Backbone interact. energy: -5.032 local terms energy: -628.106352 where: bonds (distance) C4'-P energy: -109.450 bonds (distance) P-C4' energy: -126.568 flat angles C4'-P-C4' energy: -142.010 flat angles P-C4'-P energy: -89.199 tors. eta vs tors. theta energy: -160.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2073.364475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.364475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.364475 (E_RNA) where: Base-Base interactions energy: -1449.485 where: short stacking energy: -638.970 Base-Backbone interact. energy: -0.290 local terms energy: -623.589381 where: bonds (distance) C4'-P energy: -104.691 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -143.346 flat angles P-C4'-P energy: -98.584 tors. eta vs tors. theta energy: -175.267 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: 7, replica: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1724.090327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.090327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.090327 (E_RNA) where: Base-Base interactions energy: -1158.618 where: short stacking energy: -498.643 Base-Backbone interact. energy: -0.310 local terms energy: -565.162401 where: bonds (distance) C4'-P energy: -115.526 bonds (distance) P-C4' energy: -114.857 flat angles C4'-P-C4' energy: -118.222 flat angles P-C4'-P energy: -81.443 tors. eta vs tors. theta energy: -135.115 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: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1523.486038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.486038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.486038 (E_RNA) where: Base-Base interactions energy: -987.305 where: short stacking energy: -451.489 Base-Backbone interact. energy: -3.490 local terms energy: -532.691376 where: bonds (distance) C4'-P energy: -106.229 bonds (distance) P-C4' energy: -114.118 flat angles C4'-P-C4' energy: -119.962 flat angles P-C4'-P energy: -84.320 tors. eta vs tors. theta energy: -108.062 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: 96 Temperature: 1.300000 Total energy: -1189.493114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.493114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.493114 (E_RNA) where: Base-Base interactions energy: -752.118 where: short stacking energy: -328.260 Base-Backbone interact. energy: -0.424 local terms energy: -436.951087 where: bonds (distance) C4'-P energy: -115.948 bonds (distance) P-C4' energy: -117.342 flat angles C4'-P-C4' energy: -94.133 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -49.894 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: 96 Temperature: 1.350000 Total energy: -921.555609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.555609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.555609 (E_RNA) where: Base-Base interactions energy: -530.171 where: short stacking energy: -239.124 Base-Backbone interact. energy: 8.539 local terms energy: -399.923982 where: bonds (distance) C4'-P energy: -120.210 bonds (distance) P-C4' energy: -120.840 flat angles C4'-P-C4' energy: -87.341 flat angles P-C4'-P energy: -63.362 tors. eta vs tors. theta energy: -8.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2541.794073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.794073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.794073 (E_RNA) where: Base-Base interactions energy: -1758.594 where: short stacking energy: -733.009 Base-Backbone interact. energy: -3.463 local terms energy: -779.737493 where: bonds (distance) C4'-P energy: -138.625 bonds (distance) P-C4' energy: -140.640 flat angles C4'-P-C4' energy: -166.083 flat angles P-C4'-P energy: -107.459 tors. eta vs tors. theta energy: -226.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2530.013364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.013364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.013364 (E_RNA) where: Base-Base interactions energy: -1799.408 where: short stacking energy: -733.308 Base-Backbone interact. energy: 0.512 local terms energy: -731.117694 where: bonds (distance) C4'-P energy: -120.577 bonds (distance) P-C4' energy: -140.614 flat angles C4'-P-C4' energy: -148.006 flat angles P-C4'-P energy: -109.335 tors. eta vs tors. theta energy: -212.586 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: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2337.071756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.071756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.071756 (E_RNA) where: Base-Base interactions energy: -1630.424 where: short stacking energy: -677.201 Base-Backbone interact. energy: -2.514 local terms energy: -704.133803 where: bonds (distance) C4'-P energy: -118.032 bonds (distance) P-C4' energy: -127.516 flat angles C4'-P-C4' energy: -149.684 flat angles P-C4'-P energy: -108.130 tors. eta vs tors. theta energy: -200.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2282.494343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.494343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.494343 (E_RNA) where: Base-Base interactions energy: -1592.337 where: short stacking energy: -696.686 Base-Backbone interact. energy: -2.671 local terms energy: -687.486811 where: bonds (distance) C4'-P energy: -104.192 bonds (distance) P-C4' energy: -133.763 flat angles C4'-P-C4' energy: -142.209 flat angles P-C4'-P energy: -92.960 tors. eta vs tors. theta energy: -214.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2127.907542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.907542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.907542 (E_RNA) where: Base-Base interactions energy: -1506.378 where: short stacking energy: -603.614 Base-Backbone interact. energy: 0.701 local terms energy: -622.229612 where: bonds (distance) C4'-P energy: -108.462 bonds (distance) P-C4' energy: -124.708 flat angles C4'-P-C4' energy: -127.239 flat angles P-C4'-P energy: -97.714 tors. eta vs tors. theta energy: -164.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2119.491458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.491458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.491458 (E_RNA) where: Base-Base interactions energy: -1470.264 where: short stacking energy: -622.383 Base-Backbone interact. energy: -0.106 local terms energy: -649.121398 where: bonds (distance) C4'-P energy: -134.547 bonds (distance) P-C4' energy: -119.343 flat angles C4'-P-C4' energy: -129.520 flat angles P-C4'-P energy: -85.094 tors. eta vs tors. theta energy: -180.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1632.067587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.067587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.067587 (E_RNA) where: Base-Base interactions energy: -1093.900 where: short stacking energy: -498.130 Base-Backbone interact. energy: -3.572 local terms energy: -534.596165 where: bonds (distance) C4'-P energy: -121.708 bonds (distance) P-C4' energy: -108.345 flat angles C4'-P-C4' energy: -100.755 flat angles P-C4'-P energy: -81.479 tors. eta vs tors. theta energy: -122.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1492.932313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.932313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.932313 (E_RNA) where: Base-Base interactions energy: -941.973 where: short stacking energy: -436.269 Base-Backbone interact. energy: 2.728 local terms energy: -553.687314 where: bonds (distance) C4'-P energy: -119.831 bonds (distance) P-C4' energy: -117.254 flat angles C4'-P-C4' energy: -122.673 flat angles P-C4'-P energy: -85.217 tors. eta vs tors. theta energy: -108.712 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: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1162.723916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.723916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.723916 (E_RNA) where: Base-Base interactions energy: -722.140 where: short stacking energy: -345.269 Base-Backbone interact. energy: 5.200 local terms energy: -445.784258 where: bonds (distance) C4'-P energy: -98.896 bonds (distance) P-C4' energy: -118.931 flat angles C4'-P-C4' energy: -114.746 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: -52.076 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: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -923.907837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.907837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.907837 (E_RNA) where: Base-Base interactions energy: -536.409 where: short stacking energy: -257.797 Base-Backbone interact. energy: 6.841 local terms energy: -394.340359 where: bonds (distance) C4'-P energy: -100.904 bonds (distance) P-C4' energy: -115.608 flat angles C4'-P-C4' energy: -111.693 flat angles P-C4'-P energy: -37.380 tors. eta vs tors. theta energy: -28.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2569.348524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.348524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.348524 (E_RNA) where: Base-Base interactions energy: -1809.661 where: short stacking energy: -744.192 Base-Backbone interact. energy: -0.893 local terms energy: -758.793834 where: bonds (distance) C4'-P energy: -133.827 bonds (distance) P-C4' energy: -133.618 flat angles C4'-P-C4' energy: -161.534 flat angles P-C4'-P energy: -111.139 tors. eta vs tors. theta energy: -218.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2543.743835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.743835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.743835 (E_RNA) where: Base-Base interactions energy: -1825.870 where: short stacking energy: -726.671 Base-Backbone interact. energy: -3.206 local terms energy: -714.668503 where: bonds (distance) C4'-P energy: -125.058 bonds (distance) P-C4' energy: -131.364 flat angles C4'-P-C4' energy: -148.689 flat angles P-C4'-P energy: -105.187 tors. eta vs tors. theta energy: -204.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2338.063072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.063072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.063072 (E_RNA) where: Base-Base interactions energy: -1631.459 where: short stacking energy: -695.607 Base-Backbone interact. energy: 0.455 local terms energy: -707.058796 where: bonds (distance) C4'-P energy: -136.167 bonds (distance) P-C4' energy: -119.156 flat angles C4'-P-C4' energy: -150.725 flat angles P-C4'-P energy: -102.794 tors. eta vs tors. theta energy: -198.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2285.016347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.016347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.016347 (E_RNA) where: Base-Base interactions energy: -1584.515 where: short stacking energy: -679.070 Base-Backbone interact. energy: -1.255 local terms energy: -699.246398 where: bonds (distance) C4'-P energy: -117.090 bonds (distance) P-C4' energy: -131.741 flat angles C4'-P-C4' energy: -145.782 flat angles P-C4'-P energy: -101.143 tors. eta vs tors. theta energy: -203.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2073.541941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.541941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.541941 (E_RNA) where: Base-Base interactions energy: -1456.100 where: short stacking energy: -609.049 Base-Backbone interact. energy: 1.651 local terms energy: -619.093056 where: bonds (distance) C4'-P energy: -106.643 bonds (distance) P-C4' energy: -117.117 flat angles C4'-P-C4' energy: -139.105 flat angles P-C4'-P energy: -88.509 tors. eta vs tors. theta energy: -167.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2066.970459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.970459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.970459 (E_RNA) where: Base-Base interactions energy: -1448.696 where: short stacking energy: -588.668 Base-Backbone interact. energy: -1.874 local terms energy: -616.400651 where: bonds (distance) C4'-P energy: -99.670 bonds (distance) P-C4' energy: -124.998 flat angles C4'-P-C4' energy: -122.306 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -181.679 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: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1688.453486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.453486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.453486 (E_RNA) where: Base-Base interactions energy: -1074.191 where: short stacking energy: -467.326 Base-Backbone interact. energy: -1.438 local terms energy: -612.824678 where: bonds (distance) C4'-P energy: -115.946 bonds (distance) P-C4' energy: -139.912 flat angles C4'-P-C4' energy: -143.259 flat angles P-C4'-P energy: -81.552 tors. eta vs tors. theta energy: -132.156 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: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1540.440046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.440046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.440046 (E_RNA) where: Base-Base interactions energy: -1027.170 where: short stacking energy: -451.539 Base-Backbone interact. energy: -0.161 local terms energy: -513.108370 where: bonds (distance) C4'-P energy: -90.615 bonds (distance) P-C4' energy: -117.668 flat angles C4'-P-C4' energy: -119.284 flat angles P-C4'-P energy: -82.802 tors. eta vs tors. theta energy: -102.739 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: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1292.549406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.549406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.549406 (E_RNA) where: Base-Base interactions energy: -818.271 where: short stacking energy: -358.112 Base-Backbone interact. energy: -5.415 local terms energy: -468.863774 where: bonds (distance) C4'-P energy: -114.465 bonds (distance) P-C4' energy: -125.730 flat angles C4'-P-C4' energy: -124.956 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: -55.341 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: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -924.683302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.683302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.683302 (E_RNA) where: Base-Base interactions energy: -550.204 where: short stacking energy: -245.176 Base-Backbone interact. energy: -2.235 local terms energy: -372.244162 where: bonds (distance) C4'-P energy: -83.246 bonds (distance) P-C4' energy: -102.202 flat angles C4'-P-C4' energy: -99.900 flat angles P-C4'-P energy: -75.603 tors. eta vs tors. theta energy: -11.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2585.869124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.869124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.869124 (E_RNA) where: Base-Base interactions energy: -1823.796 where: short stacking energy: -752.293 Base-Backbone interact. energy: -1.710 local terms energy: -760.363733 where: bonds (distance) C4'-P energy: -135.839 bonds (distance) P-C4' energy: -127.199 flat angles C4'-P-C4' energy: -164.155 flat angles P-C4'-P energy: -97.654 tors. eta vs tors. theta energy: -235.516 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: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2560.860082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.860082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.860082 (E_RNA) where: Base-Base interactions energy: -1805.138 where: short stacking energy: -739.387 Base-Backbone interact. energy: -2.401 local terms energy: -753.320404 where: bonds (distance) C4'-P energy: -132.232 bonds (distance) P-C4' energy: -135.283 flat angles C4'-P-C4' energy: -157.170 flat angles P-C4'-P energy: -117.891 tors. eta vs tors. theta energy: -210.745 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: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2330.943490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.943490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.943490 (E_RNA) where: Base-Base interactions energy: -1649.095 where: short stacking energy: -691.800 Base-Backbone interact. energy: -1.496 local terms energy: -680.353225 where: bonds (distance) C4'-P energy: -130.121 bonds (distance) P-C4' energy: -115.837 flat angles C4'-P-C4' energy: -146.437 flat angles P-C4'-P energy: -87.789 tors. eta vs tors. theta energy: -200.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2257.121260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.121260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.121260 (E_RNA) where: Base-Base interactions energy: -1567.010 where: short stacking energy: -683.054 Base-Backbone interact. energy: -2.447 local terms energy: -687.663446 where: bonds (distance) C4'-P energy: -119.386 bonds (distance) P-C4' energy: -133.726 flat angles C4'-P-C4' energy: -156.436 flat angles P-C4'-P energy: -79.629 tors. eta vs tors. theta energy: -198.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2051.003170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.003170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.003170 (E_RNA) where: Base-Base interactions energy: -1426.099 where: short stacking energy: -577.685 Base-Backbone interact. energy: -3.332 local terms energy: -621.571700 where: bonds (distance) C4'-P energy: -115.175 bonds (distance) P-C4' energy: -134.193 flat angles C4'-P-C4' energy: -134.464 flat angles P-C4'-P energy: -83.086 tors. eta vs tors. theta energy: -154.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2058.940774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.940774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.940774 (E_RNA) where: Base-Base interactions energy: -1452.858 where: short stacking energy: -606.469 Base-Backbone interact. energy: 0.580 local terms energy: -606.663064 where: bonds (distance) C4'-P energy: -109.419 bonds (distance) P-C4' energy: -109.223 flat angles C4'-P-C4' energy: -133.251 flat angles P-C4'-P energy: -93.588 tors. eta vs tors. theta energy: -161.182 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: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1643.509233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.509233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.509233 (E_RNA) where: Base-Base interactions energy: -1107.808 where: short stacking energy: -482.045 Base-Backbone interact. energy: 2.036 local terms energy: -537.737228 where: bonds (distance) C4'-P energy: -102.934 bonds (distance) P-C4' energy: -107.963 flat angles C4'-P-C4' energy: -120.359 flat angles P-C4'-P energy: -78.173 tors. eta vs tors. theta energy: -128.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1502.042993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.042993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.042993 (E_RNA) where: Base-Base interactions energy: -978.098 where: short stacking energy: -453.900 Base-Backbone interact. energy: -3.084 local terms energy: -520.860950 where: bonds (distance) C4'-P energy: -103.397 bonds (distance) P-C4' energy: -122.821 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -109.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1270.260435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.260435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.260435 (E_RNA) where: Base-Base interactions energy: -824.973 where: short stacking energy: -370.008 Base-Backbone interact. energy: -2.289 local terms energy: -442.998707 where: bonds (distance) C4'-P energy: -94.017 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -107.807 flat angles P-C4'-P energy: -70.806 tors. eta vs tors. theta energy: -57.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -958.207269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.207269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.207269 (E_RNA) where: Base-Base interactions energy: -585.068 where: short stacking energy: -272.541 Base-Backbone interact. energy: -0.474 local terms energy: -372.664484 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -103.134 flat angles C4'-P-C4' energy: -87.487 flat angles P-C4'-P energy: -67.602 tors. eta vs tors. theta energy: -18.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2563.588298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.588298 (E_RNA) where: Base-Base interactions energy: -1780.712 where: short stacking energy: -739.539 Base-Backbone interact. energy: -1.463 local terms energy: -781.412651 where: bonds (distance) C4'-P energy: -140.328 bonds (distance) P-C4' energy: -134.020 flat angles C4'-P-C4' energy: -165.295 flat angles P-C4'-P energy: -107.284 tors. eta vs tors. theta energy: -234.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2536.522513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.522513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.522513 (E_RNA) where: Base-Base interactions energy: -1806.516 where: short stacking energy: -741.895 Base-Backbone interact. energy: -0.309 local terms energy: -729.697737 where: bonds (distance) C4'-P energy: -121.668 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -147.062 flat angles P-C4'-P energy: -109.964 tors. eta vs tors. theta energy: -221.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2371.489413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.489413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.489413 (E_RNA) where: Base-Base interactions energy: -1664.896 where: short stacking energy: -699.187 Base-Backbone interact. energy: -0.751 local terms energy: -705.842397 where: bonds (distance) C4'-P energy: -119.863 bonds (distance) P-C4' energy: -127.759 flat angles C4'-P-C4' energy: -147.869 flat angles P-C4'-P energy: -105.206 tors. eta vs tors. theta energy: -205.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2245.575624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.575624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.575624 (E_RNA) where: Base-Base interactions energy: -1533.733 where: short stacking energy: -660.064 Base-Backbone interact. energy: -0.996 local terms energy: -710.846680 where: bonds (distance) C4'-P energy: -125.897 bonds (distance) P-C4' energy: -129.863 flat angles C4'-P-C4' energy: -144.543 flat angles P-C4'-P energy: -107.496 tors. eta vs tors. theta energy: -203.047 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: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2152.552274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.552274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.552274 (E_RNA) where: Base-Base interactions energy: -1490.497 where: short stacking energy: -615.187 Base-Backbone interact. energy: -0.405 local terms energy: -661.650805 where: bonds (distance) C4'-P energy: -111.856 bonds (distance) P-C4' energy: -131.544 flat angles C4'-P-C4' energy: -141.572 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -185.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2124.389521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.389521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.389521 (E_RNA) where: Base-Base interactions energy: -1495.143 where: short stacking energy: -617.461 Base-Backbone interact. energy: -0.328 local terms energy: -628.918568 where: bonds (distance) C4'-P energy: -118.608 bonds (distance) P-C4' energy: -116.742 flat angles C4'-P-C4' energy: -144.771 flat angles P-C4'-P energy: -88.536 tors. eta vs tors. theta energy: -160.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1587.179681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.179681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.179681 (E_RNA) where: Base-Base interactions energy: -1025.688 where: short stacking energy: -455.373 Base-Backbone interact. energy: -2.608 local terms energy: -558.883869 where: bonds (distance) C4'-P energy: -91.246 bonds (distance) P-C4' energy: -130.552 flat angles C4'-P-C4' energy: -128.881 flat angles P-C4'-P energy: -91.271 tors. eta vs tors. theta energy: -116.935 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: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1595.730157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.730157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.730157 (E_RNA) where: Base-Base interactions energy: -1092.709 where: short stacking energy: -476.443 Base-Backbone interact. energy: 2.316 local terms energy: -505.336705 where: bonds (distance) C4'-P energy: -100.498 bonds (distance) P-C4' energy: -102.656 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -74.681 tors. eta vs tors. theta energy: -118.848 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: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1310.592417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.592417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.592417 (E_RNA) where: Base-Base interactions energy: -831.892 where: short stacking energy: -362.532 Base-Backbone interact. energy: 2.526 local terms energy: -481.226610 where: bonds (distance) C4'-P energy: -117.192 bonds (distance) P-C4' energy: -82.566 flat angles C4'-P-C4' energy: -114.487 flat angles P-C4'-P energy: -90.522 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: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -954.449750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.449750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.449750 (E_RNA) where: Base-Base interactions energy: -555.112 where: short stacking energy: -277.172 Base-Backbone interact. energy: 2.069 local terms energy: -401.406066 where: bonds (distance) C4'-P energy: -123.559 bonds (distance) P-C4' energy: -109.000 flat angles C4'-P-C4' energy: -84.059 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -30.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2563.493635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.493635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.493635 (E_RNA) where: Base-Base interactions energy: -1802.901 where: short stacking energy: -766.080 Base-Backbone interact. energy: 0.263 local terms energy: -760.855975 where: bonds (distance) C4'-P energy: -128.941 bonds (distance) P-C4' energy: -145.461 flat angles C4'-P-C4' energy: -155.038 flat angles P-C4'-P energy: -100.513 tors. eta vs tors. theta energy: -230.903 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: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2582.945214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.945214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.945214 (E_RNA) where: Base-Base interactions energy: -1836.510 where: short stacking energy: -725.057 Base-Backbone interact. energy: -1.356 local terms energy: -745.079784 where: bonds (distance) C4'-P energy: -129.903 bonds (distance) P-C4' energy: -144.039 flat angles C4'-P-C4' energy: -151.971 flat angles P-C4'-P energy: -106.841 tors. eta vs tors. theta energy: -212.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2396.263950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.263950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.263950 (E_RNA) where: Base-Base interactions energy: -1683.295 where: short stacking energy: -694.271 Base-Backbone interact. energy: -0.197 local terms energy: -712.771494 where: bonds (distance) C4'-P energy: -139.977 bonds (distance) P-C4' energy: -133.291 flat angles C4'-P-C4' energy: -139.240 flat angles P-C4'-P energy: -94.560 tors. eta vs tors. theta energy: -205.704 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: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2216.707833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.707833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.707833 (E_RNA) where: Base-Base interactions energy: -1535.789 where: short stacking energy: -660.461 Base-Backbone interact. energy: -3.151 local terms energy: -677.767247 where: bonds (distance) C4'-P energy: -112.444 bonds (distance) P-C4' energy: -140.691 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -90.489 tors. eta vs tors. theta energy: -193.860 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: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2120.799649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.799649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.799649 (E_RNA) where: Base-Base interactions energy: -1469.885 where: short stacking energy: -604.417 Base-Backbone interact. energy: 1.354 local terms energy: -652.267950 where: bonds (distance) C4'-P energy: -125.853 bonds (distance) P-C4' energy: -124.126 flat angles C4'-P-C4' energy: -130.508 flat angles P-C4'-P energy: -94.244 tors. eta vs tors. theta energy: -177.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2051.193499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.193499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.193499 (E_RNA) where: Base-Base interactions energy: -1420.647 where: short stacking energy: -584.432 Base-Backbone interact. energy: -0.534 local terms energy: -630.012647 where: bonds (distance) C4'-P energy: -120.422 bonds (distance) P-C4' energy: -125.266 flat angles C4'-P-C4' energy: -131.192 flat angles P-C4'-P energy: -91.526 tors. eta vs tors. theta energy: -161.606 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: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1601.950344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.950344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.950344 (E_RNA) where: Base-Base interactions energy: -1038.466 where: short stacking energy: -445.276 Base-Backbone interact. energy: -1.194 local terms energy: -562.290729 where: bonds (distance) C4'-P energy: -116.461 bonds (distance) P-C4' energy: -125.744 flat angles C4'-P-C4' energy: -121.461 flat angles P-C4'-P energy: -86.092 tors. eta vs tors. theta energy: -112.533 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: 101 Temperature: 1.250000 Total energy: -1599.694141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.694141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.694141 (E_RNA) where: Base-Base interactions energy: -1066.816 where: short stacking energy: -450.050 Base-Backbone interact. energy: -1.535 local terms energy: -531.343729 where: bonds (distance) C4'-P energy: -117.870 bonds (distance) P-C4' energy: -112.284 flat angles C4'-P-C4' energy: -132.117 flat angles P-C4'-P energy: -73.750 tors. eta vs tors. theta energy: -95.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1203.815931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.815931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.815931 (E_RNA) where: Base-Base interactions energy: -749.004 where: short stacking energy: -304.958 Base-Backbone interact. energy: 8.576 local terms energy: -463.387441 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -117.490 flat angles C4'-P-C4' energy: -113.605 flat angles P-C4'-P energy: -63.018 tors. eta vs tors. theta energy: -45.894 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: 101 Temperature: 1.350000 Total energy: -939.611956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.611956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.611956 (E_RNA) where: Base-Base interactions energy: -546.229 where: short stacking energy: -258.371 Base-Backbone interact. energy: 0.926 local terms energy: -394.308982 where: bonds (distance) C4'-P energy: -93.683 bonds (distance) P-C4' energy: -100.829 flat angles C4'-P-C4' energy: -105.635 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: -24.686 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: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2592.415071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.415071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.415071 (E_RNA) where: Base-Base interactions energy: -1799.175 where: short stacking energy: -750.781 Base-Backbone interact. energy: 0.001 local terms energy: -793.240866 where: bonds (distance) C4'-P energy: -145.371 bonds (distance) P-C4' energy: -134.020 flat angles C4'-P-C4' energy: -166.279 flat angles P-C4'-P energy: -113.759 tors. eta vs tors. theta energy: -233.813 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: 102 Temperature: 0.950000 Total energy: -2534.335072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.335072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.335072 (E_RNA) where: Base-Base interactions energy: -1779.933 where: short stacking energy: -710.920 Base-Backbone interact. energy: -3.513 local terms energy: -750.889266 where: bonds (distance) C4'-P energy: -131.863 bonds (distance) P-C4' energy: -146.794 flat angles C4'-P-C4' energy: -155.405 flat angles P-C4'-P energy: -110.041 tors. eta vs tors. theta energy: -206.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2384.663953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.663953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.663953 (E_RNA) where: Base-Base interactions energy: -1695.641 where: short stacking energy: -703.754 Base-Backbone interact. energy: -0.028 local terms energy: -688.995098 where: bonds (distance) C4'-P energy: -129.135 bonds (distance) P-C4' energy: -118.723 flat angles C4'-P-C4' energy: -143.960 flat angles P-C4'-P energy: -100.103 tors. eta vs tors. theta energy: -197.074 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: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2243.509363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.509363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.509363 (E_RNA) where: Base-Base interactions energy: -1574.148 where: short stacking energy: -674.972 Base-Backbone interact. energy: -2.053 local terms energy: -667.308388 where: bonds (distance) C4'-P energy: -111.118 bonds (distance) P-C4' energy: -112.147 flat angles C4'-P-C4' energy: -140.783 flat angles P-C4'-P energy: -96.122 tors. eta vs tors. theta energy: -207.137 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: 5, replica: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2099.763396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.763396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.763396 (E_RNA) where: Base-Base interactions energy: -1460.394 where: short stacking energy: -605.621 Base-Backbone interact. energy: 0.885 local terms energy: -640.254356 where: bonds (distance) C4'-P energy: -114.942 bonds (distance) P-C4' energy: -119.820 flat angles C4'-P-C4' energy: -134.629 flat angles P-C4'-P energy: -90.241 tors. eta vs tors. theta energy: -180.623 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: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2080.147618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.147618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.147618 (E_RNA) where: Base-Base interactions energy: -1484.048 where: short stacking energy: -622.806 Base-Backbone interact. energy: -2.779 local terms energy: -593.320513 where: bonds (distance) C4'-P energy: -116.186 bonds (distance) P-C4' energy: -102.820 flat angles C4'-P-C4' energy: -130.087 flat angles P-C4'-P energy: -79.984 tors. eta vs tors. theta energy: -164.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1640.765451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.765451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.765451 (E_RNA) where: Base-Base interactions energy: -1097.737 where: short stacking energy: -491.208 Base-Backbone interact. energy: -0.975 local terms energy: -542.054097 where: bonds (distance) C4'-P energy: -109.300 bonds (distance) P-C4' energy: -101.967 flat angles C4'-P-C4' energy: -127.443 flat angles P-C4'-P energy: -85.972 tors. eta vs tors. theta energy: -117.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1510.974114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.974114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.974114 (E_RNA) where: Base-Base interactions energy: -990.400 where: short stacking energy: -449.972 Base-Backbone interact. energy: 0.107 local terms energy: -520.681072 where: bonds (distance) C4'-P energy: -100.847 bonds (distance) P-C4' energy: -113.863 flat angles C4'-P-C4' energy: -120.486 flat angles P-C4'-P energy: -72.863 tors. eta vs tors. theta energy: -112.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1239.599148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.599148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.599148 (E_RNA) where: Base-Base interactions energy: -771.631 where: short stacking energy: -330.541 Base-Backbone interact. energy: -0.579 local terms energy: -467.388365 where: bonds (distance) C4'-P energy: -103.751 bonds (distance) P-C4' energy: -127.219 flat angles C4'-P-C4' energy: -117.316 flat angles P-C4'-P energy: -64.772 tors. eta vs tors. theta energy: -54.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -918.311834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.311834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.311834 (E_RNA) where: Base-Base interactions energy: -508.050 where: short stacking energy: -256.159 Base-Backbone interact. energy: -2.685 local terms energy: -407.577078 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -131.631 flat angles C4'-P-C4' energy: -98.017 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: -26.044 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: 103 Temperature: 0.900000 Total energy: -2560.251705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.251705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.251705 (E_RNA) where: Base-Base interactions energy: -1805.314 where: short stacking energy: -727.171 Base-Backbone interact. energy: -1.432 local terms energy: -753.505544 where: bonds (distance) C4'-P energy: -127.616 bonds (distance) P-C4' energy: -147.635 flat angles C4'-P-C4' energy: -153.298 flat angles P-C4'-P energy: -106.278 tors. eta vs tors. theta energy: -218.679 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: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2542.997656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.997656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.997656 (E_RNA) where: Base-Base interactions energy: -1804.855 where: short stacking energy: -729.535 Base-Backbone interact. energy: -3.435 local terms energy: -734.708302 where: bonds (distance) C4'-P energy: -138.688 bonds (distance) P-C4' energy: -115.837 flat angles C4'-P-C4' energy: -148.428 flat angles P-C4'-P energy: -117.966 tors. eta vs tors. theta energy: -213.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2420.123562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.123562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.123562 (E_RNA) where: Base-Base interactions energy: -1717.199 where: short stacking energy: -690.975 Base-Backbone interact. energy: -1.430 local terms energy: -701.494895 where: bonds (distance) C4'-P energy: -125.738 bonds (distance) P-C4' energy: -131.452 flat angles C4'-P-C4' energy: -140.767 flat angles P-C4'-P energy: -107.254 tors. eta vs tors. theta energy: -196.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2287.270644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.270644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.270644 (E_RNA) where: Base-Base interactions energy: -1593.075 where: short stacking energy: -679.813 Base-Backbone interact. energy: -3.025 local terms energy: -691.170417 where: bonds (distance) C4'-P energy: -128.569 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -145.734 flat angles P-C4'-P energy: -86.479 tors. eta vs tors. theta energy: -213.746 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: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2123.553282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.553282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.553282 (E_RNA) where: Base-Base interactions energy: -1454.815 where: short stacking energy: -611.504 Base-Backbone interact. energy: -3.613 local terms energy: -665.124805 where: bonds (distance) C4'-P energy: -125.401 bonds (distance) P-C4' energy: -133.033 flat angles C4'-P-C4' energy: -143.737 flat angles P-C4'-P energy: -86.064 tors. eta vs tors. theta energy: -176.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2143.178003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.178003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.178003 (E_RNA) where: Base-Base interactions energy: -1491.958 where: short stacking energy: -625.246 Base-Backbone interact. energy: 0.385 local terms energy: -651.604668 where: bonds (distance) C4'-P energy: -121.458 bonds (distance) P-C4' energy: -118.823 flat angles C4'-P-C4' energy: -140.280 flat angles P-C4'-P energy: -88.934 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: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1636.030428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.030428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.030428 (E_RNA) where: Base-Base interactions energy: -1090.317 where: short stacking energy: -510.040 Base-Backbone interact. energy: -2.246 local terms energy: -543.467629 where: bonds (distance) C4'-P energy: -94.130 bonds (distance) P-C4' energy: -113.829 flat angles C4'-P-C4' energy: -131.117 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -132.003 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1527.989486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.989486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.989486 (E_RNA) where: Base-Base interactions energy: -990.991 where: short stacking energy: -463.762 Base-Backbone interact. energy: 1.335 local terms energy: -538.333687 where: bonds (distance) C4'-P energy: -119.748 bonds (distance) P-C4' energy: -109.212 flat angles C4'-P-C4' energy: -121.084 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -116.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1301.021331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.021331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.021331 (E_RNA) where: Base-Base interactions energy: -831.058 where: short stacking energy: -364.430 Base-Backbone interact. energy: -1.507 local terms energy: -468.456394 where: bonds (distance) C4'-P energy: -106.120 bonds (distance) P-C4' energy: -113.781 flat angles C4'-P-C4' energy: -112.635 flat angles P-C4'-P energy: -61.982 tors. eta vs tors. theta energy: -73.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -951.339149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.339149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.339149 (E_RNA) where: Base-Base interactions energy: -548.221 where: short stacking energy: -264.246 Base-Backbone interact. energy: 12.213 local terms energy: -415.331234 where: bonds (distance) C4'-P energy: -125.940 bonds (distance) P-C4' energy: -113.715 flat angles C4'-P-C4' energy: -90.758 flat angles P-C4'-P energy: -51.285 tors. eta vs tors. theta energy: -33.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2539.927300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.927300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.927300 (E_RNA) where: Base-Base interactions energy: -1762.647 where: short stacking energy: -734.603 Base-Backbone interact. energy: -1.469 local terms energy: -775.812000 where: bonds (distance) C4'-P energy: -142.350 bonds (distance) P-C4' energy: -136.717 flat angles C4'-P-C4' energy: -162.884 flat angles P-C4'-P energy: -105.391 tors. eta vs tors. theta energy: -228.469 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: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2535.633973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.633973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.633973 (E_RNA) where: Base-Base interactions energy: -1813.979 where: short stacking energy: -743.619 Base-Backbone interact. energy: -1.311 local terms energy: -720.343291 where: bonds (distance) C4'-P energy: -119.493 bonds (distance) P-C4' energy: -124.601 flat angles C4'-P-C4' energy: -159.533 flat angles P-C4'-P energy: -106.724 tors. eta vs tors. theta energy: -209.992 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: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2376.413117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.413117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.413117 (E_RNA) where: Base-Base interactions energy: -1673.925 where: short stacking energy: -713.309 Base-Backbone interact. energy: -0.306 local terms energy: -702.182083 where: bonds (distance) C4'-P energy: -128.228 bonds (distance) P-C4' energy: -122.789 flat angles C4'-P-C4' energy: -159.616 flat angles P-C4'-P energy: -93.562 tors. eta vs tors. theta energy: -197.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2274.184305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.184305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.184305 (E_RNA) where: Base-Base interactions energy: -1596.019 where: short stacking energy: -696.600 Base-Backbone interact. energy: -1.667 local terms energy: -676.497859 where: bonds (distance) C4'-P energy: -120.565 bonds (distance) P-C4' energy: -111.296 flat angles C4'-P-C4' energy: -148.730 flat angles P-C4'-P energy: -84.292 tors. eta vs tors. theta energy: -211.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2158.506007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.506007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.506007 (E_RNA) where: Base-Base interactions energy: -1507.961 where: short stacking energy: -626.390 Base-Backbone interact. energy: -2.943 local terms energy: -647.602690 where: bonds (distance) C4'-P energy: -104.650 bonds (distance) P-C4' energy: -118.232 flat angles C4'-P-C4' energy: -136.986 flat angles P-C4'-P energy: -104.762 tors. eta vs tors. theta energy: -182.973 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: 104 Temperature: 1.150000 Total energy: -2137.808050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.808050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.808050 (E_RNA) where: Base-Base interactions energy: -1474.506 where: short stacking energy: -630.476 Base-Backbone interact. energy: -1.287 local terms energy: -662.015137 where: bonds (distance) C4'-P energy: -118.519 bonds (distance) P-C4' energy: -121.909 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -96.375 tors. eta vs tors. theta energy: -184.397 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: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1647.446312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.446312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.446312 (E_RNA) where: Base-Base interactions energy: -1135.193 where: short stacking energy: -516.302 Base-Backbone interact. energy: 2.575 local terms energy: -514.828214 where: bonds (distance) C4'-P energy: -94.593 bonds (distance) P-C4' energy: -74.740 flat angles C4'-P-C4' energy: -123.975 flat angles P-C4'-P energy: -87.594 tors. eta vs tors. theta energy: -133.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1550.760512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.760512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.760512 (E_RNA) where: Base-Base interactions energy: -1051.279 where: short stacking energy: -480.791 Base-Backbone interact. energy: 0.680 local terms energy: -500.161680 where: bonds (distance) C4'-P energy: -103.537 bonds (distance) P-C4' energy: -92.246 flat angles C4'-P-C4' energy: -115.483 flat angles P-C4'-P energy: -78.754 tors. eta vs tors. theta energy: -110.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1260.562182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.562182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.562182 (E_RNA) where: Base-Base interactions energy: -783.414 where: short stacking energy: -346.838 Base-Backbone interact. energy: -1.819 local terms energy: -475.329978 where: bonds (distance) C4'-P energy: -115.514 bonds (distance) P-C4' energy: -126.346 flat angles C4'-P-C4' energy: -114.801 flat angles P-C4'-P energy: -50.240 tors. eta vs tors. theta energy: -68.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -924.493037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.493037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.493037 (E_RNA) where: Base-Base interactions energy: -529.222 where: short stacking energy: -251.148 Base-Backbone interact. energy: -0.784 local terms energy: -394.486296 where: bonds (distance) C4'-P energy: -114.291 bonds (distance) P-C4' energy: -97.196 flat angles C4'-P-C4' energy: -97.503 flat angles P-C4'-P energy: -75.882 tors. eta vs tors. theta energy: -9.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2567.282430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.282430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.282430 (E_RNA) where: Base-Base interactions energy: -1794.922 where: short stacking energy: -744.878 Base-Backbone interact. energy: -2.632 local terms energy: -769.728365 where: bonds (distance) C4'-P energy: -135.649 bonds (distance) P-C4' energy: -142.599 flat angles C4'-P-C4' energy: -159.144 flat angles P-C4'-P energy: -105.290 tors. eta vs tors. theta energy: -227.047 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: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2537.172190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.172190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.172190 (E_RNA) where: Base-Base interactions energy: -1803.051 where: short stacking energy: -725.475 Base-Backbone interact. energy: 0.473 local terms energy: -734.594350 where: bonds (distance) C4'-P energy: -135.337 bonds (distance) P-C4' energy: -124.449 flat angles C4'-P-C4' energy: -149.911 flat angles P-C4'-P energy: -112.274 tors. eta vs tors. theta energy: -212.624 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: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2373.048569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.048569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.048569 (E_RNA) where: Base-Base interactions energy: -1658.909 where: short stacking energy: -697.732 Base-Backbone interact. energy: -4.770 local terms energy: -709.369958 where: bonds (distance) C4'-P energy: -130.805 bonds (distance) P-C4' energy: -122.796 flat angles C4'-P-C4' energy: -154.919 flat angles P-C4'-P energy: -96.510 tors. eta vs tors. theta energy: -204.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2278.284230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.284230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.284230 (E_RNA) where: Base-Base interactions energy: -1585.535 where: short stacking energy: -685.380 Base-Backbone interact. energy: -1.007 local terms energy: -691.742044 where: bonds (distance) C4'-P energy: -136.769 bonds (distance) P-C4' energy: -114.030 flat angles C4'-P-C4' energy: -137.601 flat angles P-C4'-P energy: -89.249 tors. eta vs tors. theta energy: -214.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2111.500907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.500907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.500907 (E_RNA) where: Base-Base interactions energy: -1469.079 where: short stacking energy: -603.580 Base-Backbone interact. energy: -2.233 local terms energy: -640.188682 where: bonds (distance) C4'-P energy: -122.551 bonds (distance) P-C4' energy: -118.333 flat angles C4'-P-C4' energy: -122.756 flat angles P-C4'-P energy: -89.021 tors. eta vs tors. theta energy: -187.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2136.515410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.515410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.515410 (E_RNA) where: Base-Base interactions energy: -1481.365 where: short stacking energy: -630.661 Base-Backbone interact. energy: -4.532 local terms energy: -650.618382 where: bonds (distance) C4'-P energy: -117.196 bonds (distance) P-C4' energy: -119.931 flat angles C4'-P-C4' energy: -137.813 flat angles P-C4'-P energy: -89.742 tors. eta vs tors. theta energy: -185.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1635.766593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.766593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.766593 (E_RNA) where: Base-Base interactions energy: -1075.437 where: short stacking energy: -476.060 Base-Backbone interact. energy: 6.228 local terms energy: -566.557609 where: bonds (distance) C4'-P energy: -102.754 bonds (distance) P-C4' energy: -142.066 flat angles C4'-P-C4' energy: -138.197 flat angles P-C4'-P energy: -64.345 tors. eta vs tors. theta energy: -119.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1523.581364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.581364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.581364 (E_RNA) where: Base-Base interactions energy: -1005.482 where: short stacking energy: -425.255 Base-Backbone interact. energy: 7.390 local terms energy: -525.489555 where: bonds (distance) C4'-P energy: -123.349 bonds (distance) P-C4' energy: -102.856 flat angles C4'-P-C4' energy: -117.871 flat angles P-C4'-P energy: -69.612 tors. eta vs tors. theta energy: -111.802 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: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1277.769972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.769972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.769972 (E_RNA) where: Base-Base interactions energy: -824.401 where: short stacking energy: -382.461 Base-Backbone interact. energy: 3.038 local terms energy: -456.407284 where: bonds (distance) C4'-P energy: -107.068 bonds (distance) P-C4' energy: -114.989 flat angles C4'-P-C4' energy: -98.070 flat angles P-C4'-P energy: -67.743 tors. eta vs tors. theta energy: -68.538 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: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -950.214776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.214776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.214776 (E_RNA) where: Base-Base interactions energy: -552.487 where: short stacking energy: -276.010 Base-Backbone interact. energy: 1.156 local terms energy: -398.883678 where: bonds (distance) C4'-P energy: -105.112 bonds (distance) P-C4' energy: -109.614 flat angles C4'-P-C4' energy: -113.665 flat angles P-C4'-P energy: -54.511 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2573.120555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.120555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.120555 (E_RNA) where: Base-Base interactions energy: -1792.942 where: short stacking energy: -759.039 Base-Backbone interact. energy: -1.190 local terms energy: -778.988498 where: bonds (distance) C4'-P energy: -145.337 bonds (distance) P-C4' energy: -122.699 flat angles C4'-P-C4' energy: -164.163 flat angles P-C4'-P energy: -114.213 tors. eta vs tors. theta energy: -232.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2503.906917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.906917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.906917 (E_RNA) where: Base-Base interactions energy: -1768.712 where: short stacking energy: -709.919 Base-Backbone interact. energy: 2.346 local terms energy: -737.541268 where: bonds (distance) C4'-P energy: -129.222 bonds (distance) P-C4' energy: -139.790 flat angles C4'-P-C4' energy: -151.864 flat angles P-C4'-P energy: -109.626 tors. eta vs tors. theta energy: -207.040 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: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2392.142253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.142253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.142253 (E_RNA) where: Base-Base interactions energy: -1676.500 where: short stacking energy: -692.517 Base-Backbone interact. energy: -4.405 local terms energy: -711.237170 where: bonds (distance) C4'-P energy: -117.367 bonds (distance) P-C4' energy: -124.759 flat angles C4'-P-C4' energy: -159.530 flat angles P-C4'-P energy: -106.850 tors. eta vs tors. theta energy: -202.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2272.705908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.705908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.705908 (E_RNA) where: Base-Base interactions energy: -1578.238 where: short stacking energy: -676.556 Base-Backbone interact. energy: 0.402 local terms energy: -694.870405 where: bonds (distance) C4'-P energy: -114.317 bonds (distance) P-C4' energy: -133.843 flat angles C4'-P-C4' energy: -148.247 flat angles P-C4'-P energy: -94.074 tors. eta vs tors. theta energy: -204.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2183.591720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.591720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.591720 (E_RNA) where: Base-Base interactions energy: -1511.369 where: short stacking energy: -634.079 Base-Backbone interact. energy: -1.572 local terms energy: -670.650869 where: bonds (distance) C4'-P energy: -126.592 bonds (distance) P-C4' energy: -116.237 flat angles C4'-P-C4' energy: -135.706 flat angles P-C4'-P energy: -103.404 tors. eta vs tors. theta energy: -188.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1957.126126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.126126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.126126 (E_RNA) where: Base-Base interactions energy: -1354.297 where: short stacking energy: -576.313 Base-Backbone interact. energy: -1.126 local terms energy: -601.703692 where: bonds (distance) C4'-P energy: -100.734 bonds (distance) P-C4' energy: -117.785 flat angles C4'-P-C4' energy: -133.647 flat angles P-C4'-P energy: -81.073 tors. eta vs tors. theta energy: -168.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1669.628416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.628416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.628416 (E_RNA) where: Base-Base interactions energy: -1077.132 where: short stacking energy: -486.130 Base-Backbone interact. energy: 2.577 local terms energy: -595.073597 where: bonds (distance) C4'-P energy: -115.072 bonds (distance) P-C4' energy: -133.825 flat angles C4'-P-C4' energy: -122.568 flat angles P-C4'-P energy: -85.370 tors. eta vs tors. theta energy: -138.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1480.221001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.221001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.221001 (E_RNA) where: Base-Base interactions energy: -962.592 where: short stacking energy: -426.217 Base-Backbone interact. energy: -3.743 local terms energy: -513.886135 where: bonds (distance) C4'-P energy: -107.654 bonds (distance) P-C4' energy: -125.548 flat angles C4'-P-C4' energy: -120.485 flat angles P-C4'-P energy: -72.816 tors. eta vs tors. theta energy: -87.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1312.709571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.709571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.709571 (E_RNA) where: Base-Base interactions energy: -860.986 where: short stacking energy: -354.473 Base-Backbone interact. energy: 3.761 local terms energy: -455.484109 where: bonds (distance) C4'-P energy: -98.814 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -115.001 flat angles P-C4'-P energy: -81.417 tors. eta vs tors. theta energy: -65.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -879.794431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.794431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.794431 (E_RNA) where: Base-Base interactions energy: -489.380 where: short stacking energy: -248.113 Base-Backbone interact. energy: 3.071 local terms energy: -393.485066 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -119.684 flat angles C4'-P-C4' energy: -95.797 flat angles P-C4'-P energy: -61.452 tors. eta vs tors. theta energy: -16.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2570.164655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.164655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.164655 (E_RNA) where: Base-Base interactions energy: -1800.115 where: short stacking energy: -759.166 Base-Backbone interact. energy: -1.053 local terms energy: -768.996954 where: bonds (distance) C4'-P energy: -133.302 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -163.175 flat angles P-C4'-P energy: -113.679 tors. eta vs tors. theta energy: -225.240 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: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2491.686404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.686404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.686404 (E_RNA) where: Base-Base interactions energy: -1760.670 where: short stacking energy: -699.838 Base-Backbone interact. energy: -3.730 local terms energy: -727.286414 where: bonds (distance) C4'-P energy: -136.834 bonds (distance) P-C4' energy: -119.017 flat angles C4'-P-C4' energy: -154.886 flat angles P-C4'-P energy: -101.138 tors. eta vs tors. theta energy: -215.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2374.423022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.423022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.423022 (E_RNA) where: Base-Base interactions energy: -1687.855 where: short stacking energy: -708.948 Base-Backbone interact. energy: -1.323 local terms energy: -685.245576 where: bonds (distance) C4'-P energy: -122.696 bonds (distance) P-C4' energy: -114.330 flat angles C4'-P-C4' energy: -143.396 flat angles P-C4'-P energy: -100.297 tors. eta vs tors. theta energy: -204.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2263.953324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.953324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.953324 (E_RNA) where: Base-Base interactions energy: -1579.131 where: short stacking energy: -668.176 Base-Backbone interact. energy: -3.923 local terms energy: -680.898455 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -131.617 flat angles C4'-P-C4' energy: -136.179 flat angles P-C4'-P energy: -95.736 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: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2174.846801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.846801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.846801 (E_RNA) where: Base-Base interactions energy: -1527.805 where: short stacking energy: -635.648 Base-Backbone interact. energy: -0.699 local terms energy: -646.343110 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -104.287 flat angles C4'-P-C4' energy: -139.743 flat angles P-C4'-P energy: -101.749 tors. eta vs tors. theta energy: -188.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1914.486847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.486847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.486847 (E_RNA) where: Base-Base interactions energy: -1342.265 where: short stacking energy: -532.895 Base-Backbone interact. energy: -0.680 local terms energy: -571.541980 where: bonds (distance) C4'-P energy: -110.561 bonds (distance) P-C4' energy: -113.475 flat angles C4'-P-C4' energy: -131.430 flat angles P-C4'-P energy: -71.054 tors. eta vs tors. theta energy: -145.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1624.327166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.327166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.327166 (E_RNA) where: Base-Base interactions energy: -1051.805 where: short stacking energy: -469.572 Base-Backbone interact. energy: -0.632 local terms energy: -571.890299 where: bonds (distance) C4'-P energy: -118.316 bonds (distance) P-C4' energy: -142.456 flat angles C4'-P-C4' energy: -115.092 flat angles P-C4'-P energy: -78.478 tors. eta vs tors. theta energy: -117.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1517.118344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.118344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.118344 (E_RNA) where: Base-Base interactions energy: -968.952 where: short stacking energy: -438.464 Base-Backbone interact. energy: 1.875 local terms energy: -550.042023 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -104.862 flat angles C4'-P-C4' energy: -128.228 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -111.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1307.850855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.850855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.850855 (E_RNA) where: Base-Base interactions energy: -820.045 where: short stacking energy: -352.597 Base-Backbone interact. energy: -2.668 local terms energy: -485.138145 where: bonds (distance) C4'-P energy: -107.348 bonds (distance) P-C4' energy: -102.054 flat angles C4'-P-C4' energy: -122.862 flat angles P-C4'-P energy: -68.450 tors. eta vs tors. theta energy: -84.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -867.988383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.988383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.988383 (E_RNA) where: Base-Base interactions energy: -507.274 where: short stacking energy: -232.686 Base-Backbone interact. energy: -3.521 local terms energy: -357.192932 where: bonds (distance) C4'-P energy: -96.450 bonds (distance) P-C4' energy: -114.327 flat angles C4'-P-C4' energy: -71.894 flat angles P-C4'-P energy: -55.016 tors. eta vs tors. theta energy: -19.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2561.762505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.762505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.762505 (E_RNA) where: Base-Base interactions energy: -1793.834 where: short stacking energy: -745.706 Base-Backbone interact. energy: -1.534 local terms energy: -766.394903 where: bonds (distance) C4'-P energy: -140.071 bonds (distance) P-C4' energy: -130.665 flat angles C4'-P-C4' energy: -153.997 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -231.769 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: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2505.571829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.571829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.571829 (E_RNA) where: Base-Base interactions energy: -1773.570 where: short stacking energy: -692.798 Base-Backbone interact. energy: -4.625 local terms energy: -727.376971 where: bonds (distance) C4'-P energy: -140.638 bonds (distance) P-C4' energy: -127.377 flat angles C4'-P-C4' energy: -152.980 flat angles P-C4'-P energy: -98.091 tors. eta vs tors. theta energy: -208.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2422.467759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.467759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.467759 (E_RNA) where: Base-Base interactions energy: -1706.574 where: short stacking energy: -705.497 Base-Backbone interact. energy: -2.984 local terms energy: -712.910160 where: bonds (distance) C4'-P energy: -123.827 bonds (distance) P-C4' energy: -135.033 flat angles C4'-P-C4' energy: -149.409 flat angles P-C4'-P energy: -106.430 tors. eta vs tors. theta energy: -198.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2224.855585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.855585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.855585 (E_RNA) where: Base-Base interactions energy: -1537.245 where: short stacking energy: -658.302 Base-Backbone interact. energy: -2.660 local terms energy: -684.951291 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -119.992 flat angles C4'-P-C4' energy: -143.718 flat angles P-C4'-P energy: -103.783 tors. eta vs tors. theta energy: -192.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2234.932215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.932215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.932215 (E_RNA) where: Base-Base interactions energy: -1559.590 where: short stacking energy: -668.113 Base-Backbone interact. energy: 4.492 local terms energy: -679.833845 where: bonds (distance) C4'-P energy: -120.603 bonds (distance) P-C4' energy: -126.078 flat angles C4'-P-C4' energy: -151.675 flat angles P-C4'-P energy: -87.056 tors. eta vs tors. theta energy: -194.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1919.109595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.109595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.109595 (E_RNA) where: Base-Base interactions energy: -1312.891 where: short stacking energy: -539.715 Base-Backbone interact. energy: -3.573 local terms energy: -602.645585 where: bonds (distance) C4'-P energy: -113.969 bonds (distance) P-C4' energy: -118.815 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -83.827 tors. eta vs tors. theta energy: -145.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1669.599372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.599372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.599372 (E_RNA) where: Base-Base interactions energy: -1132.027 where: short stacking energy: -499.756 Base-Backbone interact. energy: 4.372 local terms energy: -541.944972 where: bonds (distance) C4'-P energy: -119.891 bonds (distance) P-C4' energy: -92.532 flat angles C4'-P-C4' energy: -107.967 flat angles P-C4'-P energy: -81.695 tors. eta vs tors. theta energy: -139.860 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: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1491.001707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.001707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.001707 (E_RNA) where: Base-Base interactions energy: -967.991 where: short stacking energy: -445.556 Base-Backbone interact. energy: 1.101 local terms energy: -524.111150 where: bonds (distance) C4'-P energy: -107.274 bonds (distance) P-C4' energy: -112.406 flat angles C4'-P-C4' energy: -115.104 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -109.024 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: 108 Temperature: 1.300000 Total energy: -1316.945808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.945808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.945808 (E_RNA) where: Base-Base interactions energy: -848.662 where: short stacking energy: -352.325 Base-Backbone interact. energy: -2.290 local terms energy: -465.993325 where: bonds (distance) C4'-P energy: -105.892 bonds (distance) P-C4' energy: -109.387 flat angles C4'-P-C4' energy: -113.248 flat angles P-C4'-P energy: -81.406 tors. eta vs tors. theta energy: -56.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -864.173441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.173441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.173441 (E_RNA) where: Base-Base interactions energy: -513.717 where: short stacking energy: -237.449 Base-Backbone interact. energy: -1.183 local terms energy: -349.273806 where: bonds (distance) C4'-P energy: -99.998 bonds (distance) P-C4' energy: -102.409 flat angles C4'-P-C4' energy: -85.018 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: -15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2558.776999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.776999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.776999 (E_RNA) where: Base-Base interactions energy: -1812.914 where: short stacking energy: -760.732 Base-Backbone interact. energy: -2.569 local terms energy: -743.294146 where: bonds (distance) C4'-P energy: -133.526 bonds (distance) P-C4' energy: -123.252 flat angles C4'-P-C4' energy: -160.116 flat angles P-C4'-P energy: -99.141 tors. eta vs tors. theta energy: -227.259 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: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2508.853577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.853577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.853577 (E_RNA) where: Base-Base interactions energy: -1768.995 where: short stacking energy: -730.625 Base-Backbone interact. energy: 1.133 local terms energy: -740.991471 where: bonds (distance) C4'-P energy: -132.320 bonds (distance) P-C4' energy: -133.065 flat angles C4'-P-C4' energy: -157.665 flat angles P-C4'-P energy: -95.369 tors. eta vs tors. theta energy: -222.573 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: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2344.353569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.353569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.353569 (E_RNA) where: Base-Base interactions energy: -1653.537 where: short stacking energy: -685.228 Base-Backbone interact. energy: 3.131 local terms energy: -693.947576 where: bonds (distance) C4'-P energy: -117.427 bonds (distance) P-C4' energy: -125.048 flat angles C4'-P-C4' energy: -139.790 flat angles P-C4'-P energy: -112.387 tors. eta vs tors. theta energy: -199.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2250.444377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.444377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.444377 (E_RNA) where: Base-Base interactions energy: -1585.989 where: short stacking energy: -675.500 Base-Backbone interact. energy: -0.655 local terms energy: -663.801086 where: bonds (distance) C4'-P energy: -128.573 bonds (distance) P-C4' energy: -120.305 flat angles C4'-P-C4' energy: -132.478 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -190.323 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: 109 Temperature: 1.100000 Total energy: -2198.815959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.815959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.815959 (E_RNA) where: Base-Base interactions energy: -1545.436 where: short stacking energy: -627.590 Base-Backbone interact. energy: -1.342 local terms energy: -652.037744 where: bonds (distance) C4'-P energy: -114.725 bonds (distance) P-C4' energy: -114.680 flat angles C4'-P-C4' energy: -140.523 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -193.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1971.617952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.617952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.617952 (E_RNA) where: Base-Base interactions energy: -1366.269 where: short stacking energy: -579.198 Base-Backbone interact. energy: -0.704 local terms energy: -604.645604 where: bonds (distance) C4'-P energy: -110.642 bonds (distance) P-C4' energy: -126.178 flat angles C4'-P-C4' energy: -133.720 flat angles P-C4'-P energy: -72.116 tors. eta vs tors. theta energy: -161.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1639.750819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.750819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.750819 (E_RNA) where: Base-Base interactions energy: -1083.502 where: short stacking energy: -485.147 Base-Backbone interact. energy: -1.521 local terms energy: -554.727957 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -120.097 flat angles P-C4'-P energy: -92.584 tors. eta vs tors. theta energy: -127.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1481.824777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.824777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.824777 (E_RNA) where: Base-Base interactions energy: -974.342 where: short stacking energy: -433.809 Base-Backbone interact. energy: -2.526 local terms energy: -504.957134 where: bonds (distance) C4'-P energy: -93.068 bonds (distance) P-C4' energy: -110.970 flat angles C4'-P-C4' energy: -123.853 flat angles P-C4'-P energy: -85.217 tors. eta vs tors. theta energy: -91.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1293.272227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.272227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.272227 (E_RNA) where: Base-Base interactions energy: -853.571 where: short stacking energy: -363.338 Base-Backbone interact. energy: 7.210 local terms energy: -446.910870 where: bonds (distance) C4'-P energy: -111.137 bonds (distance) P-C4' energy: -100.543 flat angles C4'-P-C4' energy: -117.484 flat angles P-C4'-P energy: -57.112 tors. eta vs tors. theta energy: -60.636 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: 109 Temperature: 1.350000 Total energy: -863.220048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.220048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.220048 (E_RNA) where: Base-Base interactions energy: -477.490 where: short stacking energy: -258.953 Base-Backbone interact. energy: 3.210 local terms energy: -388.940448 where: bonds (distance) C4'-P energy: -118.755 bonds (distance) P-C4' energy: -109.393 flat angles C4'-P-C4' energy: -100.137 flat angles P-C4'-P energy: -47.121 tors. eta vs tors. theta energy: -13.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2561.571120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.571120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.571120 (E_RNA) where: Base-Base interactions energy: -1798.437 where: short stacking energy: -760.306 Base-Backbone interact. energy: -2.304 local terms energy: -760.830280 where: bonds (distance) C4'-P energy: -138.828 bonds (distance) P-C4' energy: -127.756 flat angles C4'-P-C4' energy: -157.395 flat angles P-C4'-P energy: -109.064 tors. eta vs tors. theta energy: -227.787 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: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2526.894988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.894988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.894988 (E_RNA) where: Base-Base interactions energy: -1775.020 where: short stacking energy: -718.997 Base-Backbone interact. energy: 1.054 local terms energy: -752.929258 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -139.470 flat angles C4'-P-C4' energy: -159.972 flat angles P-C4'-P energy: -101.341 tors. eta vs tors. theta energy: -223.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2377.812194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.812194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.812194 (E_RNA) where: Base-Base interactions energy: -1695.504 where: short stacking energy: -689.562 Base-Backbone interact. energy: -2.078 local terms energy: -680.230969 where: bonds (distance) C4'-P energy: -117.284 bonds (distance) P-C4' energy: -112.771 flat angles C4'-P-C4' energy: -148.025 flat angles P-C4'-P energy: -108.432 tors. eta vs tors. theta energy: -193.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2245.158831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.158831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.158831 (E_RNA) where: Base-Base interactions energy: -1557.195 where: short stacking energy: -660.528 Base-Backbone interact. energy: -2.836 local terms energy: -685.127636 where: bonds (distance) C4'-P energy: -109.510 bonds (distance) P-C4' energy: -130.808 flat angles C4'-P-C4' energy: -144.871 flat angles P-C4'-P energy: -88.326 tors. eta vs tors. theta energy: -211.613 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: 110 Temperature: 1.100000 Total energy: -2193.264359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.264359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.264359 (E_RNA) where: Base-Base interactions energy: -1549.398 where: short stacking energy: -652.208 Base-Backbone interact. energy: -3.004 local terms energy: -640.861662 where: bonds (distance) C4'-P energy: -112.051 bonds (distance) P-C4' energy: -117.974 flat angles C4'-P-C4' energy: -137.274 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -178.099 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: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1961.785555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.785555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.785555 (E_RNA) where: Base-Base interactions energy: -1365.598 where: short stacking energy: -561.201 Base-Backbone interact. energy: -1.850 local terms energy: -594.337791 where: bonds (distance) C4'-P energy: -119.073 bonds (distance) P-C4' energy: -126.105 flat angles C4'-P-C4' energy: -114.402 flat angles P-C4'-P energy: -67.711 tors. eta vs tors. theta energy: -167.047 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: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1648.146668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.146668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.146668 (E_RNA) where: Base-Base interactions energy: -1096.464 where: short stacking energy: -493.754 Base-Backbone interact. energy: -1.234 local terms energy: -550.448576 where: bonds (distance) C4'-P energy: -109.202 bonds (distance) P-C4' energy: -125.286 flat angles C4'-P-C4' energy: -109.702 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -129.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1497.475579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.475579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.475579 (E_RNA) where: Base-Base interactions energy: -965.346 where: short stacking energy: -425.000 Base-Backbone interact. energy: -0.362 local terms energy: -531.767796 where: bonds (distance) C4'-P energy: -109.834 bonds (distance) P-C4' energy: -118.922 flat angles C4'-P-C4' energy: -129.335 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: -95.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1224.965231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.965231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.965231 (E_RNA) where: Base-Base interactions energy: -768.072 where: short stacking energy: -356.207 Base-Backbone interact. energy: 5.920 local terms energy: -462.813640 where: bonds (distance) C4'-P energy: -99.152 bonds (distance) P-C4' energy: -117.879 flat angles C4'-P-C4' energy: -113.990 flat angles P-C4'-P energy: -68.180 tors. eta vs tors. theta energy: -63.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -862.731525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.731525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.731525 (E_RNA) where: Base-Base interactions energy: -502.066 where: short stacking energy: -246.413 Base-Backbone interact. energy: 11.953 local terms energy: -372.618239 where: bonds (distance) C4'-P energy: -97.888 bonds (distance) P-C4' energy: -110.257 flat angles C4'-P-C4' energy: -90.742 flat angles P-C4'-P energy: -67.432 tors. eta vs tors. theta energy: -6.300 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: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2546.812794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.812794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.812794 (E_RNA) where: Base-Base interactions energy: -1778.860 where: short stacking energy: -730.311 Base-Backbone interact. energy: -2.355 local terms energy: -765.597503 where: bonds (distance) C4'-P energy: -125.533 bonds (distance) P-C4' energy: -142.852 flat angles C4'-P-C4' energy: -166.189 flat angles P-C4'-P energy: -106.951 tors. eta vs tors. theta energy: -224.072 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: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2534.853581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.853581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.853581 (E_RNA) where: Base-Base interactions energy: -1811.787 where: short stacking energy: -736.214 Base-Backbone interact. energy: 4.744 local terms energy: -727.810678 where: bonds (distance) C4'-P energy: -133.534 bonds (distance) P-C4' energy: -127.600 flat angles C4'-P-C4' energy: -152.303 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -222.554 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: 8 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2347.351825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.351825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.351825 (E_RNA) where: Base-Base interactions energy: -1661.863 where: short stacking energy: -689.654 Base-Backbone interact. energy: -0.120 local terms energy: -685.368285 where: bonds (distance) C4'-P energy: -120.746 bonds (distance) P-C4' energy: -123.858 flat angles C4'-P-C4' energy: -135.433 flat angles P-C4'-P energy: -100.280 tors. eta vs tors. theta energy: -205.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2281.960642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.960642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.960642 (E_RNA) where: Base-Base interactions energy: -1608.839 where: short stacking energy: -672.510 Base-Backbone interact. energy: -3.207 local terms energy: -669.914954 where: bonds (distance) C4'-P energy: -119.703 bonds (distance) P-C4' energy: -103.578 flat angles C4'-P-C4' energy: -146.395 flat angles P-C4'-P energy: -89.076 tors. eta vs tors. theta energy: -211.163 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: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2190.366696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.366696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.366696 (E_RNA) where: Base-Base interactions energy: -1507.343 where: short stacking energy: -634.854 Base-Backbone interact. energy: -3.446 local terms energy: -679.577408 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -125.723 flat angles C4'-P-C4' energy: -139.888 flat angles P-C4'-P energy: -97.541 tors. eta vs tors. theta energy: -197.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1933.638229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.638229 (E_RNA) where: Base-Base interactions energy: -1331.778 where: short stacking energy: -565.488 Base-Backbone interact. energy: -3.073 local terms energy: -598.786990 where: bonds (distance) C4'-P energy: -109.220 bonds (distance) P-C4' energy: -110.632 flat angles C4'-P-C4' energy: -121.677 flat angles P-C4'-P energy: -91.064 tors. eta vs tors. theta energy: -166.195 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: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1645.368076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.368076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.368076 (E_RNA) where: Base-Base interactions energy: -1105.788 where: short stacking energy: -486.787 Base-Backbone interact. energy: -1.946 local terms energy: -537.634635 where: bonds (distance) C4'-P energy: -106.182 bonds (distance) P-C4' energy: -107.171 flat angles C4'-P-C4' energy: -127.146 flat angles P-C4'-P energy: -79.571 tors. eta vs tors. theta energy: -117.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1591.735113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.735113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.735113 (E_RNA) where: Base-Base interactions energy: -1084.554 where: short stacking energy: -460.804 Base-Backbone interact. energy: -0.942 local terms energy: -506.238722 where: bonds (distance) C4'-P energy: -103.468 bonds (distance) P-C4' energy: -101.577 flat angles C4'-P-C4' energy: -118.932 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -111.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1367.118405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.118405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.118405 (E_RNA) where: Base-Base interactions energy: -913.977 where: short stacking energy: -399.913 Base-Backbone interact. energy: -2.090 local terms energy: -451.051724 where: bonds (distance) C4'-P energy: -89.248 bonds (distance) P-C4' energy: -116.899 flat angles C4'-P-C4' energy: -102.867 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -89.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -891.317440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.317440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.317440 (E_RNA) where: Base-Base interactions energy: -555.126 where: short stacking energy: -285.545 Base-Backbone interact. energy: 2.837 local terms energy: -339.028299 where: bonds (distance) C4'-P energy: -86.975 bonds (distance) P-C4' energy: -87.426 flat angles C4'-P-C4' energy: -101.937 flat angles P-C4'-P energy: -43.213 tors. eta vs tors. theta energy: -19.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2583.134197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.134197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.134197 (E_RNA) where: Base-Base interactions energy: -1813.614 where: short stacking energy: -769.152 Base-Backbone interact. energy: -3.786 local terms energy: -765.734643 where: bonds (distance) C4'-P energy: -132.103 bonds (distance) P-C4' energy: -132.915 flat angles C4'-P-C4' energy: -162.412 flat angles P-C4'-P energy: -107.171 tors. eta vs tors. theta energy: -231.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2549.816342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.816342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.816342 (E_RNA) where: Base-Base interactions energy: -1792.359 where: short stacking energy: -758.128 Base-Backbone interact. energy: -1.978 local terms energy: -755.478827 where: bonds (distance) C4'-P energy: -133.287 bonds (distance) P-C4' energy: -133.391 flat angles C4'-P-C4' energy: -162.208 flat angles P-C4'-P energy: -103.767 tors. eta vs tors. theta energy: -222.826 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: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2335.279863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.279863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.279863 (E_RNA) where: Base-Base interactions energy: -1614.124 where: short stacking energy: -674.458 Base-Backbone interact. energy: -2.492 local terms energy: -718.664080 where: bonds (distance) C4'-P energy: -132.095 bonds (distance) P-C4' energy: -128.184 flat angles C4'-P-C4' energy: -154.040 flat angles P-C4'-P energy: -98.302 tors. eta vs tors. theta energy: -206.043 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: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2284.048345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.048345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.048345 (E_RNA) where: Base-Base interactions energy: -1595.590 where: short stacking energy: -693.704 Base-Backbone interact. energy: -3.815 local terms energy: -684.643027 where: bonds (distance) C4'-P energy: -119.716 bonds (distance) P-C4' energy: -118.984 flat angles C4'-P-C4' energy: -145.349 flat angles P-C4'-P energy: -91.284 tors. eta vs tors. theta energy: -209.310 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: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2159.248344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.248344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.248344 (E_RNA) where: Base-Base interactions energy: -1535.314 where: short stacking energy: -636.785 Base-Backbone interact. energy: -2.006 local terms energy: -621.928613 where: bonds (distance) C4'-P energy: -116.156 bonds (distance) P-C4' energy: -121.198 flat angles C4'-P-C4' energy: -133.676 flat angles P-C4'-P energy: -81.927 tors. eta vs tors. theta energy: -168.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1975.354990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.354990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.354990 (E_RNA) where: Base-Base interactions energy: -1348.956 where: short stacking energy: -565.067 Base-Backbone interact. energy: -2.343 local terms energy: -624.056721 where: bonds (distance) C4'-P energy: -128.452 bonds (distance) P-C4' energy: -114.255 flat angles C4'-P-C4' energy: -134.243 flat angles P-C4'-P energy: -86.022 tors. eta vs tors. theta energy: -161.086 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: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1648.005360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.005360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.005360 (E_RNA) where: Base-Base interactions energy: -1105.086 where: short stacking energy: -473.826 Base-Backbone interact. energy: -3.138 local terms energy: -539.781628 where: bonds (distance) C4'-P energy: -127.643 bonds (distance) P-C4' energy: -117.391 flat angles C4'-P-C4' energy: -126.510 flat angles P-C4'-P energy: -56.645 tors. eta vs tors. theta energy: -111.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1569.884918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.884918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.884918 (E_RNA) where: Base-Base interactions energy: -1050.408 where: short stacking energy: -439.072 Base-Backbone interact. energy: -2.058 local terms energy: -517.419471 where: bonds (distance) C4'-P energy: -103.824 bonds (distance) P-C4' energy: -119.894 flat angles C4'-P-C4' energy: -113.174 flat angles P-C4'-P energy: -82.558 tors. eta vs tors. theta energy: -97.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1382.537332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.537332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.537332 (E_RNA) where: Base-Base interactions energy: -941.273 where: short stacking energy: -386.417 Base-Backbone interact. energy: -1.121 local terms energy: -440.143218 where: bonds (distance) C4'-P energy: -109.625 bonds (distance) P-C4' energy: -107.026 flat angles C4'-P-C4' energy: -88.264 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -69.422 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: 112 Temperature: 1.350000 Total energy: -961.024073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.024073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.024073 (E_RNA) where: Base-Base interactions energy: -542.400 where: short stacking energy: -259.302 Base-Backbone interact. energy: 3.765 local terms energy: -422.388684 where: bonds (distance) C4'-P energy: -98.840 bonds (distance) P-C4' energy: -103.695 flat angles C4'-P-C4' energy: -116.734 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -33.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2583.444726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.444726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.444726 (E_RNA) where: Base-Base interactions energy: -1805.324 where: short stacking energy: -741.464 Base-Backbone interact. energy: -0.823 local terms energy: -777.296992 where: bonds (distance) C4'-P energy: -140.343 bonds (distance) P-C4' energy: -135.892 flat angles C4'-P-C4' energy: -164.986 flat angles P-C4'-P energy: -109.902 tors. eta vs tors. theta energy: -226.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2537.415456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.415456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.415456 (E_RNA) where: Base-Base interactions energy: -1781.683 where: short stacking energy: -771.702 Base-Backbone interact. energy: -1.808 local terms energy: -753.924828 where: bonds (distance) C4'-P energy: -124.809 bonds (distance) P-C4' energy: -146.351 flat angles C4'-P-C4' energy: -152.189 flat angles P-C4'-P energy: -109.321 tors. eta vs tors. theta energy: -221.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2382.848748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.848748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.848748 (E_RNA) where: Base-Base interactions energy: -1671.484 where: short stacking energy: -666.044 Base-Backbone interact. energy: -1.713 local terms energy: -709.652649 where: bonds (distance) C4'-P energy: -126.355 bonds (distance) P-C4' energy: -133.783 flat angles C4'-P-C4' energy: -158.689 flat angles P-C4'-P energy: -92.559 tors. eta vs tors. theta energy: -198.267 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: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2269.765580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.765580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.765580 (E_RNA) where: Base-Base interactions energy: -1599.704 where: short stacking energy: -670.260 Base-Backbone interact. energy: -3.135 local terms energy: -666.926373 where: bonds (distance) C4'-P energy: -111.308 bonds (distance) P-C4' energy: -111.600 flat angles C4'-P-C4' energy: -145.038 flat angles P-C4'-P energy: -101.680 tors. eta vs tors. theta energy: -197.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2194.951365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.951365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.951365 (E_RNA) where: Base-Base interactions energy: -1515.508 where: short stacking energy: -625.289 Base-Backbone interact. energy: -0.831 local terms energy: -678.612374 where: bonds (distance) C4'-P energy: -117.842 bonds (distance) P-C4' energy: -128.675 flat angles C4'-P-C4' energy: -153.082 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -187.686 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: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1956.143261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.143261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.143261 (E_RNA) where: Base-Base interactions energy: -1352.336 where: short stacking energy: -570.475 Base-Backbone interact. energy: -1.216 local terms energy: -602.590964 where: bonds (distance) C4'-P energy: -108.440 bonds (distance) P-C4' energy: -123.255 flat angles C4'-P-C4' energy: -128.891 flat angles P-C4'-P energy: -94.874 tors. eta vs tors. theta energy: -147.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1634.370050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.370050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.370050 (E_RNA) where: Base-Base interactions energy: -1102.120 where: short stacking energy: -482.484 Base-Backbone interact. energy: 5.679 local terms energy: -537.929051 where: bonds (distance) C4'-P energy: -101.587 bonds (distance) P-C4' energy: -98.183 flat angles C4'-P-C4' energy: -121.026 flat angles P-C4'-P energy: -79.474 tors. eta vs tors. theta energy: -137.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1510.084675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.084675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.084675 (E_RNA) where: Base-Base interactions energy: -1004.354 where: short stacking energy: -435.829 Base-Backbone interact. energy: -2.141 local terms energy: -503.589454 where: bonds (distance) C4'-P energy: -91.886 bonds (distance) P-C4' energy: -111.815 flat angles C4'-P-C4' energy: -123.791 flat angles P-C4'-P energy: -75.260 tors. eta vs tors. theta energy: -100.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1372.503584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.503584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.503584 (E_RNA) where: Base-Base interactions energy: -899.239 where: short stacking energy: -366.246 Base-Backbone interact. energy: -0.210 local terms energy: -473.055271 where: bonds (distance) C4'-P energy: -98.624 bonds (distance) P-C4' energy: -139.184 flat angles C4'-P-C4' energy: -109.493 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -66.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -911.890319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.890319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.890319 (E_RNA) where: Base-Base interactions energy: -504.092 where: short stacking energy: -238.933 Base-Backbone interact. energy: 0.945 local terms energy: -408.742987 where: bonds (distance) C4'-P energy: -112.295 bonds (distance) P-C4' energy: -118.020 flat angles C4'-P-C4' energy: -79.394 flat angles P-C4'-P energy: -65.651 tors. eta vs tors. theta energy: -33.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2593.209516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.209516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.209516 (E_RNA) where: Base-Base interactions energy: -1804.147 where: short stacking energy: -732.196 Base-Backbone interact. energy: -3.969 local terms energy: -785.093447 where: bonds (distance) C4'-P energy: -139.828 bonds (distance) P-C4' energy: -137.105 flat angles C4'-P-C4' energy: -160.923 flat angles P-C4'-P energy: -113.256 tors. eta vs tors. theta energy: -233.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2517.228143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.228143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.228143 (E_RNA) where: Base-Base interactions energy: -1799.093 where: short stacking energy: -710.232 Base-Backbone interact. energy: -2.549 local terms energy: -715.586165 where: bonds (distance) C4'-P energy: -125.364 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -149.450 flat angles P-C4'-P energy: -105.607 tors. eta vs tors. theta energy: -212.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2392.165779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.165779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.165779 (E_RNA) where: Base-Base interactions energy: -1692.649 where: short stacking energy: -675.487 Base-Backbone interact. energy: 5.638 local terms energy: -705.154244 where: bonds (distance) C4'-P energy: -117.971 bonds (distance) P-C4' energy: -128.280 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -102.919 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: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2291.118786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.118786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.118786 (E_RNA) where: Base-Base interactions energy: -1600.588 where: short stacking energy: -666.715 Base-Backbone interact. energy: 4.510 local terms energy: -695.040412 where: bonds (distance) C4'-P energy: -137.401 bonds (distance) P-C4' energy: -119.027 flat angles C4'-P-C4' energy: -148.255 flat angles P-C4'-P energy: -85.289 tors. eta vs tors. theta energy: -205.068 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: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2176.592666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.592666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.592666 (E_RNA) where: Base-Base interactions energy: -1532.168 where: short stacking energy: -634.880 Base-Backbone interact. energy: -0.720 local terms energy: -643.704847 where: bonds (distance) C4'-P energy: -115.247 bonds (distance) P-C4' energy: -113.118 flat angles C4'-P-C4' energy: -124.470 flat angles P-C4'-P energy: -103.616 tors. eta vs tors. theta energy: -187.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1935.638476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.638476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.638476 (E_RNA) where: Base-Base interactions energy: -1345.570 where: short stacking energy: -577.548 Base-Backbone interact. energy: -1.936 local terms energy: -588.131871 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -106.158 flat angles C4'-P-C4' energy: -126.362 flat angles P-C4'-P energy: -85.979 tors. eta vs tors. theta energy: -161.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1724.337114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.337114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.337114 (E_RNA) where: Base-Base interactions energy: -1147.537 where: short stacking energy: -499.396 Base-Backbone interact. energy: -2.993 local terms energy: -573.806711 where: bonds (distance) C4'-P energy: -106.190 bonds (distance) P-C4' energy: -116.521 flat angles C4'-P-C4' energy: -131.661 flat angles P-C4'-P energy: -89.364 tors. eta vs tors. theta energy: -130.070 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: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1495.214561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.214561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.214561 (E_RNA) where: Base-Base interactions energy: -990.223 where: short stacking energy: -422.758 Base-Backbone interact. energy: -6.009 local terms energy: -498.982598 where: bonds (distance) C4'-P energy: -93.177 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -108.708 flat angles P-C4'-P energy: -64.504 tors. eta vs tors. theta energy: -106.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1323.135634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.135634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.135634 (E_RNA) where: Base-Base interactions energy: -897.430 where: short stacking energy: -380.062 Base-Backbone interact. energy: -3.208 local terms energy: -422.498049 where: bonds (distance) C4'-P energy: -84.318 bonds (distance) P-C4' energy: -101.341 flat angles C4'-P-C4' energy: -111.571 flat angles P-C4'-P energy: -68.595 tors. eta vs tors. theta energy: -56.674 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: 114 Temperature: 1.350000 Total energy: -917.266503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.266503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.266503 (E_RNA) where: Base-Base interactions energy: -500.924 where: short stacking energy: -225.413 Base-Backbone interact. energy: -3.293 local terms energy: -413.049406 where: bonds (distance) C4'-P energy: -103.719 bonds (distance) P-C4' energy: -121.940 flat angles C4'-P-C4' energy: -111.961 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -20.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2571.549200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.549200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.549200 (E_RNA) where: Base-Base interactions energy: -1825.907 where: short stacking energy: -768.516 Base-Backbone interact. energy: -1.018 local terms energy: -744.623820 where: bonds (distance) C4'-P energy: -136.172 bonds (distance) P-C4' energy: -121.667 flat angles C4'-P-C4' energy: -152.245 flat angles P-C4'-P energy: -107.346 tors. eta vs tors. theta energy: -227.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2522.603684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.603684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.603684 (E_RNA) where: Base-Base interactions energy: -1756.734 where: short stacking energy: -724.868 Base-Backbone interact. energy: -2.799 local terms energy: -763.070481 where: bonds (distance) C4'-P energy: -128.474 bonds (distance) P-C4' energy: -136.638 flat angles C4'-P-C4' energy: -164.052 flat angles P-C4'-P energy: -112.160 tors. eta vs tors. theta energy: -221.746 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: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2378.195890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.195890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.195890 (E_RNA) where: Base-Base interactions energy: -1686.862 where: short stacking energy: -688.510 Base-Backbone interact. energy: -0.193 local terms energy: -691.140751 where: bonds (distance) C4'-P energy: -119.130 bonds (distance) P-C4' energy: -126.966 flat angles C4'-P-C4' energy: -156.175 flat angles P-C4'-P energy: -91.809 tors. eta vs tors. theta energy: -197.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2319.426554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.426554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.426554 (E_RNA) where: Base-Base interactions energy: -1594.007 where: short stacking energy: -682.870 Base-Backbone interact. energy: -1.196 local terms energy: -724.223274 where: bonds (distance) C4'-P energy: -123.610 bonds (distance) P-C4' energy: -131.209 flat angles C4'-P-C4' energy: -161.932 flat angles P-C4'-P energy: -95.739 tors. eta vs tors. theta energy: -211.733 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: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2197.323588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.323588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.323588 (E_RNA) where: Base-Base interactions energy: -1528.949 where: short stacking energy: -633.628 Base-Backbone interact. energy: 1.069 local terms energy: -669.443682 where: bonds (distance) C4'-P energy: -128.587 bonds (distance) P-C4' energy: -106.704 flat angles C4'-P-C4' energy: -141.170 flat angles P-C4'-P energy: -106.372 tors. eta vs tors. theta energy: -186.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1973.064025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.064025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.064025 (E_RNA) where: Base-Base interactions energy: -1367.529 where: short stacking energy: -597.050 Base-Backbone interact. energy: -3.905 local terms energy: -601.630376 where: bonds (distance) C4'-P energy: -123.325 bonds (distance) P-C4' energy: -96.917 flat angles C4'-P-C4' energy: -123.841 flat angles P-C4'-P energy: -87.955 tors. eta vs tors. theta energy: -169.592 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: 115 Temperature: 1.200000 Total energy: -1711.663276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.663276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.663276 (E_RNA) where: Base-Base interactions energy: -1145.025 where: short stacking energy: -508.089 Base-Backbone interact. energy: -0.255 local terms energy: -566.382731 where: bonds (distance) C4'-P energy: -115.465 bonds (distance) P-C4' energy: -113.767 flat angles C4'-P-C4' energy: -126.158 flat angles P-C4'-P energy: -68.135 tors. eta vs tors. theta energy: -142.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1454.557903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.557903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.557903 (E_RNA) where: Base-Base interactions energy: -984.481 where: short stacking energy: -426.769 Base-Backbone interact. energy: 5.902 local terms energy: -475.978658 where: bonds (distance) C4'-P energy: -104.701 bonds (distance) P-C4' energy: -107.031 flat angles C4'-P-C4' energy: -106.362 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -102.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1326.448091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.448091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.448091 (E_RNA) where: Base-Base interactions energy: -866.880 where: short stacking energy: -374.390 Base-Backbone interact. energy: -1.720 local terms energy: -457.847737 where: bonds (distance) C4'-P energy: -100.394 bonds (distance) P-C4' energy: -104.468 flat angles C4'-P-C4' energy: -110.125 flat angles P-C4'-P energy: -70.295 tors. eta vs tors. theta energy: -72.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -949.205265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.205265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.205265 (E_RNA) where: Base-Base interactions energy: -546.866 where: short stacking energy: -277.364 Base-Backbone interact. energy: -2.968 local terms energy: -399.370956 where: bonds (distance) C4'-P energy: -97.282 bonds (distance) P-C4' energy: -113.520 flat angles C4'-P-C4' energy: -91.960 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -32.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2574.554071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.554071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.554071 (E_RNA) where: Base-Base interactions energy: -1815.481 where: short stacking energy: -740.984 Base-Backbone interact. energy: 0.130 local terms energy: -759.203591 where: bonds (distance) C4'-P energy: -136.681 bonds (distance) P-C4' energy: -125.464 flat angles C4'-P-C4' energy: -166.179 flat angles P-C4'-P energy: -105.931 tors. eta vs tors. theta energy: -224.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2526.341290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.341290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.341290 (E_RNA) where: Base-Base interactions energy: -1799.042 where: short stacking energy: -746.654 Base-Backbone interact. energy: -2.169 local terms energy: -725.130639 where: bonds (distance) C4'-P energy: -128.504 bonds (distance) P-C4' energy: -129.954 flat angles C4'-P-C4' energy: -155.314 flat angles P-C4'-P energy: -98.023 tors. eta vs tors. theta energy: -213.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2367.583179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.583179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.583179 (E_RNA) where: Base-Base interactions energy: -1642.535 where: short stacking energy: -718.957 Base-Backbone interact. energy: -2.613 local terms energy: -722.435087 where: bonds (distance) C4'-P energy: -134.699 bonds (distance) P-C4' energy: -135.423 flat angles C4'-P-C4' energy: -150.656 flat angles P-C4'-P energy: -81.973 tors. eta vs tors. theta energy: -219.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2320.796809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.796809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.796809 (E_RNA) where: Base-Base interactions energy: -1617.168 where: short stacking energy: -676.508 Base-Backbone interact. energy: -1.086 local terms energy: -702.543206 where: bonds (distance) C4'-P energy: -116.100 bonds (distance) P-C4' energy: -124.084 flat angles C4'-P-C4' energy: -150.563 flat angles P-C4'-P energy: -102.388 tors. eta vs tors. theta energy: -209.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2220.214518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.214518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.214518 (E_RNA) where: Base-Base interactions energy: -1539.752 where: short stacking energy: -665.994 Base-Backbone interact. energy: -0.849 local terms energy: -679.614143 where: bonds (distance) C4'-P energy: -133.861 bonds (distance) P-C4' energy: -118.674 flat angles C4'-P-C4' energy: -140.376 flat angles P-C4'-P energy: -80.819 tors. eta vs tors. theta energy: -205.884 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: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1882.371444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.371444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.371444 (E_RNA) where: Base-Base interactions energy: -1284.313 where: short stacking energy: -554.602 Base-Backbone interact. energy: -1.681 local terms energy: -596.377012 where: bonds (distance) C4'-P energy: -103.578 bonds (distance) P-C4' energy: -126.686 flat angles C4'-P-C4' energy: -133.274 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -160.195 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: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1761.511585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.511585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.511585 (E_RNA) where: Base-Base interactions energy: -1205.396 where: short stacking energy: -509.261 Base-Backbone interact. energy: -1.961 local terms energy: -554.155043 where: bonds (distance) C4'-P energy: -99.464 bonds (distance) P-C4' energy: -117.212 flat angles C4'-P-C4' energy: -127.201 flat angles P-C4'-P energy: -84.419 tors. eta vs tors. theta energy: -125.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1517.390383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.390383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.390383 (E_RNA) where: Base-Base interactions energy: -1004.443 where: short stacking energy: -471.416 Base-Backbone interact. energy: -1.556 local terms energy: -511.391473 where: bonds (distance) C4'-P energy: -100.320 bonds (distance) P-C4' energy: -118.208 flat angles C4'-P-C4' energy: -118.082 flat angles P-C4'-P energy: -64.092 tors. eta vs tors. theta energy: -110.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1410.209426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.209426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.209426 (E_RNA) where: Base-Base interactions energy: -920.574 where: short stacking energy: -419.536 Base-Backbone interact. energy: -4.364 local terms energy: -485.271290 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -113.011 flat angles C4'-P-C4' energy: -120.334 flat angles P-C4'-P energy: -61.637 tors. eta vs tors. theta energy: -77.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -884.503707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.503707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.503707 (E_RNA) where: Base-Base interactions energy: -496.455 where: short stacking energy: -257.703 Base-Backbone interact. energy: 1.116 local terms energy: -389.164440 where: bonds (distance) C4'-P energy: -104.269 bonds (distance) P-C4' energy: -110.874 flat angles C4'-P-C4' energy: -105.793 flat angles P-C4'-P energy: -59.083 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: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2585.323283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.323283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.323283 (E_RNA) where: Base-Base interactions energy: -1821.548 where: short stacking energy: -751.930 Base-Backbone interact. energy: 1.443 local terms energy: -765.218283 where: bonds (distance) C4'-P energy: -136.592 bonds (distance) P-C4' energy: -141.897 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -111.144 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: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2534.395835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.395835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.395835 (E_RNA) where: Base-Base interactions energy: -1783.349 where: short stacking energy: -725.699 Base-Backbone interact. energy: -4.340 local terms energy: -746.707098 where: bonds (distance) C4'-P energy: -133.115 bonds (distance) P-C4' energy: -115.588 flat angles C4'-P-C4' energy: -164.176 flat angles P-C4'-P energy: -114.216 tors. eta vs tors. theta energy: -219.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2349.247878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.247878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.247878 (E_RNA) where: Base-Base interactions energy: -1659.535 where: short stacking energy: -692.219 Base-Backbone interact. energy: -2.101 local terms energy: -687.612031 where: bonds (distance) C4'-P energy: -123.023 bonds (distance) P-C4' energy: -130.682 flat angles C4'-P-C4' energy: -140.010 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -205.146 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: 4, replica: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2313.855576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.855576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.855576 (E_RNA) where: Base-Base interactions energy: -1612.892 where: short stacking energy: -673.460 Base-Backbone interact. energy: -2.445 local terms energy: -698.518114 where: bonds (distance) C4'-P energy: -135.128 bonds (distance) P-C4' energy: -124.151 flat angles C4'-P-C4' energy: -151.659 flat angles P-C4'-P energy: -99.578 tors. eta vs tors. theta energy: -188.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2208.004546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.004546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.004546 (E_RNA) where: Base-Base interactions energy: -1553.020 where: short stacking energy: -644.319 Base-Backbone interact. energy: -2.626 local terms energy: -652.358719 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -104.519 flat angles C4'-P-C4' energy: -151.010 flat angles P-C4'-P energy: -85.046 tors. eta vs tors. theta energy: -186.785 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: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1859.733165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.733165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.733165 (E_RNA) where: Base-Base interactions energy: -1273.033 where: short stacking energy: -553.798 Base-Backbone interact. energy: 3.432 local terms energy: -590.131692 where: bonds (distance) C4'-P energy: -119.590 bonds (distance) P-C4' energy: -130.972 flat angles C4'-P-C4' energy: -123.672 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -139.476 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: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1781.564611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.564611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.564611 (E_RNA) where: Base-Base interactions energy: -1208.154 where: short stacking energy: -532.395 Base-Backbone interact. energy: 0.315 local terms energy: -573.726089 where: bonds (distance) C4'-P energy: -122.266 bonds (distance) P-C4' energy: -120.396 flat angles C4'-P-C4' energy: -118.410 flat angles P-C4'-P energy: -71.235 tors. eta vs tors. theta energy: -141.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1513.344090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.344090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.344090 (E_RNA) where: Base-Base interactions energy: -1017.171 where: short stacking energy: -464.073 Base-Backbone interact. energy: 2.229 local terms energy: -498.402242 where: bonds (distance) C4'-P energy: -103.900 bonds (distance) P-C4' energy: -99.710 flat angles C4'-P-C4' energy: -118.993 flat angles P-C4'-P energy: -70.465 tors. eta vs tors. theta energy: -105.335 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: 117 Temperature: 1.300000 Total energy: -1360.056216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.056216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.056216 (E_RNA) where: Base-Base interactions energy: -867.079 where: short stacking energy: -384.789 Base-Backbone interact. energy: -4.685 local terms energy: -488.291582 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -132.595 flat angles C4'-P-C4' energy: -98.718 flat angles P-C4'-P energy: -74.178 tors. eta vs tors. theta energy: -73.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -932.731385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.731385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.731385 (E_RNA) where: Base-Base interactions energy: -549.487 where: short stacking energy: -267.821 Base-Backbone interact. energy: 2.580 local terms energy: -385.824180 where: bonds (distance) C4'-P energy: -114.826 bonds (distance) P-C4' energy: -118.483 flat angles C4'-P-C4' energy: -103.015 flat angles P-C4'-P energy: -39.175 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2599.085109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.085109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.085109 (E_RNA) where: Base-Base interactions energy: -1837.681 where: short stacking energy: -765.855 Base-Backbone interact. energy: 1.596 local terms energy: -763.000152 where: bonds (distance) C4'-P energy: -134.150 bonds (distance) P-C4' energy: -149.836 flat angles C4'-P-C4' energy: -161.148 flat angles P-C4'-P energy: -92.754 tors. eta vs tors. theta energy: -225.112 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: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2530.878345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.878345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.878345 (E_RNA) where: Base-Base interactions energy: -1805.670 where: short stacking energy: -735.392 Base-Backbone interact. energy: -1.674 local terms energy: -723.534870 where: bonds (distance) C4'-P energy: -137.222 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -152.021 flat angles P-C4'-P energy: -106.594 tors. eta vs tors. theta energy: -212.878 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: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2337.171971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.171971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.171971 (E_RNA) where: Base-Base interactions energy: -1645.173 where: short stacking energy: -667.965 Base-Backbone interact. energy: -0.486 local terms energy: -691.513438 where: bonds (distance) C4'-P energy: -118.340 bonds (distance) P-C4' energy: -128.760 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -97.255 tors. eta vs tors. theta energy: -204.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2272.522603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.522603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.522603 (E_RNA) where: Base-Base interactions energy: -1593.051 where: short stacking energy: -692.995 Base-Backbone interact. energy: -1.572 local terms energy: -677.899194 where: bonds (distance) C4'-P energy: -108.903 bonds (distance) P-C4' energy: -130.009 flat angles C4'-P-C4' energy: -143.409 flat angles P-C4'-P energy: -81.209 tors. eta vs tors. theta energy: -214.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2180.584508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.584508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.584508 (E_RNA) where: Base-Base interactions energy: -1504.158 where: short stacking energy: -629.254 Base-Backbone interact. energy: -0.229 local terms energy: -676.196669 where: bonds (distance) C4'-P energy: -108.720 bonds (distance) P-C4' energy: -141.642 flat angles C4'-P-C4' energy: -140.885 flat angles P-C4'-P energy: -97.825 tors. eta vs tors. theta energy: -187.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1954.544823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.544823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.544823 (E_RNA) where: Base-Base interactions energy: -1376.455 where: short stacking energy: -580.586 Base-Backbone interact. energy: -1.131 local terms energy: -576.958783 where: bonds (distance) C4'-P energy: -98.349 bonds (distance) P-C4' energy: -103.648 flat angles C4'-P-C4' energy: -132.147 flat angles P-C4'-P energy: -81.948 tors. eta vs tors. theta energy: -160.867 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: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1749.860108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.860108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.860108 (E_RNA) where: Base-Base interactions energy: -1203.645 where: short stacking energy: -512.002 Base-Backbone interact. energy: -2.108 local terms energy: -544.107370 where: bonds (distance) C4'-P energy: -109.222 bonds (distance) P-C4' energy: -109.951 flat angles C4'-P-C4' energy: -134.030 flat angles P-C4'-P energy: -65.661 tors. eta vs tors. theta energy: -125.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1536.566899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.566899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.566899 (E_RNA) where: Base-Base interactions energy: -1056.490 where: short stacking energy: -443.246 Base-Backbone interact. energy: 2.747 local terms energy: -482.823543 where: bonds (distance) C4'-P energy: -105.709 bonds (distance) P-C4' energy: -106.004 flat angles C4'-P-C4' energy: -99.120 flat angles P-C4'-P energy: -73.655 tors. eta vs tors. theta energy: -98.335 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: 118 Temperature: 1.300000 Total energy: -1382.072001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.072001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.072001 (E_RNA) where: Base-Base interactions energy: -891.683 where: short stacking energy: -385.357 Base-Backbone interact. energy: 2.750 local terms energy: -493.138860 where: bonds (distance) C4'-P energy: -113.403 bonds (distance) P-C4' energy: -125.975 flat angles C4'-P-C4' energy: -104.784 flat angles P-C4'-P energy: -70.197 tors. eta vs tors. theta energy: -78.780 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: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -855.696127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.696127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.696127 (E_RNA) where: Base-Base interactions energy: -477.762 where: short stacking energy: -233.835 Base-Backbone interact. energy: 4.175 local terms energy: -382.108617 where: bonds (distance) C4'-P energy: -112.636 bonds (distance) P-C4' energy: -111.842 flat angles C4'-P-C4' energy: -106.937 flat angles P-C4'-P energy: -50.166 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2565.553384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.553384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.553384 (E_RNA) where: Base-Base interactions energy: -1809.291 where: short stacking energy: -740.222 Base-Backbone interact. energy: -3.393 local terms energy: -752.869126 where: bonds (distance) C4'-P energy: -125.043 bonds (distance) P-C4' energy: -127.577 flat angles C4'-P-C4' energy: -159.928 flat angles P-C4'-P energy: -113.680 tors. eta vs tors. theta energy: -226.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2529.722783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.722783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.722783 (E_RNA) where: Base-Base interactions energy: -1806.057 where: short stacking energy: -742.215 Base-Backbone interact. energy: -0.148 local terms energy: -723.518404 where: bonds (distance) C4'-P energy: -123.944 bonds (distance) P-C4' energy: -135.015 flat angles C4'-P-C4' energy: -152.268 flat angles P-C4'-P energy: -99.387 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: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2338.984256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.984256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.984256 (E_RNA) where: Base-Base interactions energy: -1640.867 where: short stacking energy: -677.461 Base-Backbone interact. energy: 6.805 local terms energy: -704.922708 where: bonds (distance) C4'-P energy: -131.562 bonds (distance) P-C4' energy: -127.871 flat angles C4'-P-C4' energy: -143.745 flat angles P-C4'-P energy: -97.764 tors. eta vs tors. theta energy: -203.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2251.712037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.712037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.712037 (E_RNA) where: Base-Base interactions energy: -1558.995 where: short stacking energy: -628.782 Base-Backbone interact. energy: 0.710 local terms energy: -693.427272 where: bonds (distance) C4'-P energy: -136.616 bonds (distance) P-C4' energy: -128.290 flat angles C4'-P-C4' energy: -139.208 flat angles P-C4'-P energy: -101.220 tors. eta vs tors. theta energy: -188.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2189.122857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.122857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.122857 (E_RNA) where: Base-Base interactions energy: -1533.592 where: short stacking energy: -636.275 Base-Backbone interact. energy: -0.951 local terms energy: -654.579949 where: bonds (distance) C4'-P energy: -103.156 bonds (distance) P-C4' energy: -118.967 flat angles C4'-P-C4' energy: -157.996 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -182.532 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: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1958.646885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.646885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.646885 (E_RNA) where: Base-Base interactions energy: -1354.617 where: short stacking energy: -573.072 Base-Backbone interact. energy: -2.427 local terms energy: -601.603625 where: bonds (distance) C4'-P energy: -104.716 bonds (distance) P-C4' energy: -129.342 flat angles C4'-P-C4' energy: -128.263 flat angles P-C4'-P energy: -82.610 tors. eta vs tors. theta energy: -156.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1683.077255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.077255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.077255 (E_RNA) where: Base-Base interactions energy: -1112.505 where: short stacking energy: -487.181 Base-Backbone interact. energy: -2.965 local terms energy: -567.607085 where: bonds (distance) C4'-P energy: -109.726 bonds (distance) P-C4' energy: -123.513 flat angles C4'-P-C4' energy: -116.701 flat angles P-C4'-P energy: -85.913 tors. eta vs tors. theta energy: -131.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1658.890431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.890431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.890431 (E_RNA) where: Base-Base interactions energy: -1131.250 where: short stacking energy: -471.395 Base-Backbone interact. energy: 1.856 local terms energy: -529.496417 where: bonds (distance) C4'-P energy: -108.072 bonds (distance) P-C4' energy: -110.849 flat angles C4'-P-C4' energy: -120.363 flat angles P-C4'-P energy: -67.453 tors. eta vs tors. theta energy: -122.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1370.350059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.350059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.350059 (E_RNA) where: Base-Base interactions energy: -916.915 where: short stacking energy: -405.250 Base-Backbone interact. energy: -1.648 local terms energy: -451.786873 where: bonds (distance) C4'-P energy: -113.269 bonds (distance) P-C4' energy: -109.621 flat angles C4'-P-C4' energy: -102.439 flat angles P-C4'-P energy: -66.522 tors. eta vs tors. theta energy: -59.935 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: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -897.881994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.881994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.881994 (E_RNA) where: Base-Base interactions energy: -499.739 where: short stacking energy: -244.000 Base-Backbone interact. energy: -1.303 local terms energy: -396.839691 where: bonds (distance) C4'-P energy: -103.674 bonds (distance) P-C4' energy: -121.911 flat angles C4'-P-C4' energy: -101.478 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: -10.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2585.860798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.860798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.860798 (E_RNA) where: Base-Base interactions energy: -1800.767 where: short stacking energy: -743.279 Base-Backbone interact. energy: -2.020 local terms energy: -783.074350 where: bonds (distance) C4'-P energy: -143.343 bonds (distance) P-C4' energy: -139.760 flat angles C4'-P-C4' energy: -163.530 flat angles P-C4'-P energy: -111.389 tors. eta vs tors. theta energy: -225.052 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: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2525.769210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.769210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.769210 (E_RNA) where: Base-Base interactions energy: -1793.158 where: short stacking energy: -741.476 Base-Backbone interact. energy: 0.600 local terms energy: -733.211326 where: bonds (distance) C4'-P energy: -118.681 bonds (distance) P-C4' energy: -139.805 flat angles C4'-P-C4' energy: -154.484 flat angles P-C4'-P energy: -104.926 tors. eta vs tors. theta energy: -215.314 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: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2384.264064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.264064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.264064 (E_RNA) where: Base-Base interactions energy: -1703.181 where: short stacking energy: -698.326 Base-Backbone interact. energy: -1.850 local terms energy: -679.232714 where: bonds (distance) C4'-P energy: -122.818 bonds (distance) P-C4' energy: -125.593 flat angles C4'-P-C4' energy: -128.224 flat angles P-C4'-P energy: -90.568 tors. eta vs tors. theta energy: -212.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2210.445190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.445190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.445190 (E_RNA) where: Base-Base interactions energy: -1568.220 where: short stacking energy: -637.191 Base-Backbone interact. energy: 4.971 local terms energy: -647.195804 where: bonds (distance) C4'-P energy: -108.316 bonds (distance) P-C4' energy: -130.339 flat angles C4'-P-C4' energy: -125.861 flat angles P-C4'-P energy: -99.282 tors. eta vs tors. theta energy: -183.398 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: 120 Temperature: 1.100000 Total energy: -2225.741869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.741869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.741869 (E_RNA) where: Base-Base interactions energy: -1560.661 where: short stacking energy: -671.000 Base-Backbone interact. energy: -1.857 local terms energy: -663.223044 where: bonds (distance) C4'-P energy: -115.249 bonds (distance) P-C4' energy: -113.765 flat angles C4'-P-C4' energy: -146.891 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -186.706 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: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1996.076509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.076509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.076509 (E_RNA) where: Base-Base interactions energy: -1364.865 where: short stacking energy: -558.800 Base-Backbone interact. energy: -1.527 local terms energy: -629.685076 where: bonds (distance) C4'-P energy: -134.786 bonds (distance) P-C4' energy: -119.334 flat angles C4'-P-C4' energy: -135.418 flat angles P-C4'-P energy: -80.920 tors. eta vs tors. theta energy: -159.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1698.848400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.848400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.848400 (E_RNA) where: Base-Base interactions energy: -1126.675 where: short stacking energy: -483.113 Base-Backbone interact. energy: 0.638 local terms energy: -572.812174 where: bonds (distance) C4'-P energy: -109.024 bonds (distance) P-C4' energy: -129.889 flat angles C4'-P-C4' energy: -136.861 flat angles P-C4'-P energy: -77.815 tors. eta vs tors. theta energy: -119.223 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: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1615.597589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.597589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.597589 (E_RNA) where: Base-Base interactions energy: -1060.110 where: short stacking energy: -483.998 Base-Backbone interact. energy: 0.675 local terms energy: -556.162695 where: bonds (distance) C4'-P energy: -108.327 bonds (distance) P-C4' energy: -102.620 flat angles C4'-P-C4' energy: -116.255 flat angles P-C4'-P energy: -88.945 tors. eta vs tors. theta energy: -140.015 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: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1312.919882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.919882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.919882 (E_RNA) where: Base-Base interactions energy: -885.020 where: short stacking energy: -375.701 Base-Backbone interact. energy: 4.867 local terms energy: -432.766439 where: bonds (distance) C4'-P energy: -96.651 bonds (distance) P-C4' energy: -99.828 flat angles C4'-P-C4' energy: -103.443 flat angles P-C4'-P energy: -65.184 tors. eta vs tors. theta energy: -67.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -922.810675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.810675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.810675 (E_RNA) where: Base-Base interactions energy: -582.053 where: short stacking energy: -242.073 Base-Backbone interact. energy: -0.098 local terms energy: -340.659020 where: bonds (distance) C4'-P energy: -100.735 bonds (distance) P-C4' energy: -108.510 flat angles C4'-P-C4' energy: -88.596 flat angles P-C4'-P energy: -31.233 tors. eta vs tors. theta energy: -11.585 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: 121 Temperature: 0.900000 Total energy: -2562.549706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.549706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.549706 (E_RNA) where: Base-Base interactions energy: -1829.084 where: short stacking energy: -750.315 Base-Backbone interact. energy: -0.009 local terms energy: -733.457160 where: bonds (distance) C4'-P energy: -117.372 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -152.391 flat angles P-C4'-P energy: -111.567 tors. eta vs tors. theta energy: -222.364 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: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2535.248091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.248091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.248091 (E_RNA) where: Base-Base interactions energy: -1804.643 where: short stacking energy: -742.573 Base-Backbone interact. energy: 2.308 local terms energy: -732.912978 where: bonds (distance) C4'-P energy: -126.585 bonds (distance) P-C4' energy: -136.960 flat angles C4'-P-C4' energy: -150.228 flat angles P-C4'-P energy: -107.002 tors. eta vs tors. theta energy: -212.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2360.198445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.198445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.198445 (E_RNA) where: Base-Base interactions energy: -1620.844 where: short stacking energy: -641.504 Base-Backbone interact. energy: -3.802 local terms energy: -735.552174 where: bonds (distance) C4'-P energy: -145.533 bonds (distance) P-C4' energy: -139.093 flat angles C4'-P-C4' energy: -145.977 flat angles P-C4'-P energy: -108.236 tors. eta vs tors. theta energy: -196.713 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: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2239.986952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.986952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.986952 (E_RNA) where: Base-Base interactions energy: -1573.535 where: short stacking energy: -648.917 Base-Backbone interact. energy: -2.283 local terms energy: -664.168935 where: bonds (distance) C4'-P energy: -106.919 bonds (distance) P-C4' energy: -133.874 flat angles C4'-P-C4' energy: -136.504 flat angles P-C4'-P energy: -97.766 tors. eta vs tors. theta energy: -189.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2211.900754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.900754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.900754 (E_RNA) where: Base-Base interactions energy: -1527.363 where: short stacking energy: -653.654 Base-Backbone interact. energy: -0.049 local terms energy: -684.489053 where: bonds (distance) C4'-P energy: -123.142 bonds (distance) P-C4' energy: -128.088 flat angles C4'-P-C4' energy: -149.229 flat angles P-C4'-P energy: -97.497 tors. eta vs tors. theta energy: -186.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1977.842967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.842967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.842967 (E_RNA) where: Base-Base interactions energy: -1364.482 where: short stacking energy: -570.802 Base-Backbone interact. energy: -4.529 local terms energy: -608.831969 where: bonds (distance) C4'-P energy: -116.695 bonds (distance) P-C4' energy: -117.674 flat angles C4'-P-C4' energy: -140.854 flat angles P-C4'-P energy: -75.395 tors. eta vs tors. theta energy: -158.214 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: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1729.079369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.079369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.079369 (E_RNA) where: Base-Base interactions energy: -1137.310 where: short stacking energy: -518.679 Base-Backbone interact. energy: 0.950 local terms energy: -592.719345 where: bonds (distance) C4'-P energy: -109.160 bonds (distance) P-C4' energy: -130.672 flat angles C4'-P-C4' energy: -133.733 flat angles P-C4'-P energy: -83.188 tors. eta vs tors. theta energy: -135.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1610.494605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.494605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.494605 (E_RNA) where: Base-Base interactions energy: -1092.477 where: short stacking energy: -456.372 Base-Backbone interact. energy: -1.710 local terms energy: -516.307396 where: bonds (distance) C4'-P energy: -103.958 bonds (distance) P-C4' energy: -121.188 flat angles C4'-P-C4' energy: -104.732 flat angles P-C4'-P energy: -89.582 tors. eta vs tors. theta energy: -96.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1395.113685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.113685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.113685 (E_RNA) where: Base-Base interactions energy: -897.120 where: short stacking energy: -389.261 Base-Backbone interact. energy: -2.279 local terms energy: -495.714045 where: bonds (distance) C4'-P energy: -103.783 bonds (distance) P-C4' energy: -121.474 flat angles C4'-P-C4' energy: -112.318 flat angles P-C4'-P energy: -70.611 tors. eta vs tors. theta energy: -87.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -847.605143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.605143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.605143 (E_RNA) where: Base-Base interactions energy: -483.305 where: short stacking energy: -245.244 Base-Backbone interact. energy: 4.074 local terms energy: -368.374817 where: bonds (distance) C4'-P energy: -100.828 bonds (distance) P-C4' energy: -99.830 flat angles C4'-P-C4' energy: -104.027 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2569.098671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.098671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.098671 (E_RNA) where: Base-Base interactions energy: -1811.358 where: short stacking energy: -740.206 Base-Backbone interact. energy: -0.602 local terms energy: -757.138881 where: bonds (distance) C4'-P energy: -141.444 bonds (distance) P-C4' energy: -114.566 flat angles C4'-P-C4' energy: -162.360 flat angles P-C4'-P energy: -112.781 tors. eta vs tors. theta energy: -225.989 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: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2511.220978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.220978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.220978 (E_RNA) where: Base-Base interactions energy: -1781.493 where: short stacking energy: -735.717 Base-Backbone interact. energy: -2.853 local terms energy: -726.874299 where: bonds (distance) C4'-P energy: -129.706 bonds (distance) P-C4' energy: -137.638 flat angles C4'-P-C4' energy: -143.855 flat angles P-C4'-P energy: -101.070 tors. eta vs tors. theta energy: -214.606 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: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2381.051812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.051812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.051812 (E_RNA) where: Base-Base interactions energy: -1685.506 where: short stacking energy: -705.102 Base-Backbone interact. energy: -0.913 local terms energy: -694.633061 where: bonds (distance) C4'-P energy: -129.097 bonds (distance) P-C4' energy: -108.393 flat angles C4'-P-C4' energy: -155.992 flat angles P-C4'-P energy: -94.350 tors. eta vs tors. theta energy: -206.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2243.664005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.664005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.664005 (E_RNA) where: Base-Base interactions energy: -1580.383 where: short stacking energy: -656.313 Base-Backbone interact. energy: -3.116 local terms energy: -660.164601 where: bonds (distance) C4'-P energy: -119.005 bonds (distance) P-C4' energy: -121.792 flat angles C4'-P-C4' energy: -137.877 flat angles P-C4'-P energy: -94.071 tors. eta vs tors. theta energy: -187.420 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: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2227.826269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.826269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.826269 (E_RNA) where: Base-Base interactions energy: -1538.058 where: short stacking energy: -653.096 Base-Backbone interact. energy: -1.811 local terms energy: -687.956930 where: bonds (distance) C4'-P energy: -122.941 bonds (distance) P-C4' energy: -118.404 flat angles C4'-P-C4' energy: -151.565 flat angles P-C4'-P energy: -115.659 tors. eta vs tors. theta energy: -179.387 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: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2018.504723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.504723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.504723 (E_RNA) where: Base-Base interactions energy: -1402.428 where: short stacking energy: -589.934 Base-Backbone interact. energy: -0.873 local terms energy: -615.203641 where: bonds (distance) C4'-P energy: -123.413 bonds (distance) P-C4' energy: -105.010 flat angles C4'-P-C4' energy: -143.431 flat angles P-C4'-P energy: -79.462 tors. eta vs tors. theta energy: -163.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1692.507989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.507989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.507989 (E_RNA) where: Base-Base interactions energy: -1149.534 where: short stacking energy: -479.930 Base-Backbone interact. energy: -1.210 local terms energy: -541.764602 where: bonds (distance) C4'-P energy: -112.291 bonds (distance) P-C4' energy: -115.733 flat angles C4'-P-C4' energy: -120.107 flat angles P-C4'-P energy: -83.906 tors. eta vs tors. theta energy: -109.727 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: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1632.486356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.486356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.486356 (E_RNA) where: Base-Base interactions energy: -1083.397 where: short stacking energy: -468.648 Base-Backbone interact. energy: -4.500 local terms energy: -544.589629 where: bonds (distance) C4'-P energy: -122.341 bonds (distance) P-C4' energy: -111.087 flat angles C4'-P-C4' energy: -130.441 flat angles P-C4'-P energy: -68.900 tors. eta vs tors. theta energy: -111.820 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: 122 Temperature: 1.300000 Total energy: -1435.985228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.985228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.985228 (E_RNA) where: Base-Base interactions energy: -972.944 where: short stacking energy: -411.784 Base-Backbone interact. energy: -1.159 local terms energy: -461.882889 where: bonds (distance) C4'-P energy: -109.192 bonds (distance) P-C4' energy: -99.254 flat angles C4'-P-C4' energy: -109.933 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -77.410 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: 122 Temperature: 1.350000 Total energy: -892.141445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.141445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.141445 (E_RNA) where: Base-Base interactions energy: -502.048 where: short stacking energy: -247.778 Base-Backbone interact. energy: -1.897 local terms energy: -388.196543 where: bonds (distance) C4'-P energy: -77.937 bonds (distance) P-C4' energy: -122.174 flat angles C4'-P-C4' energy: -113.204 flat angles P-C4'-P energy: -62.448 tors. eta vs tors. theta energy: -12.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2567.785223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.785223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.785223 (E_RNA) where: Base-Base interactions energy: -1801.830 where: short stacking energy: -753.263 Base-Backbone interact. energy: -0.816 local terms energy: -765.138881 where: bonds (distance) C4'-P energy: -132.031 bonds (distance) P-C4' energy: -126.118 flat angles C4'-P-C4' energy: -162.003 flat angles P-C4'-P energy: -115.545 tors. eta vs tors. theta energy: -229.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2527.659036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.659036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.659036 (E_RNA) where: Base-Base interactions energy: -1817.061 where: short stacking energy: -758.245 Base-Backbone interact. energy: 1.269 local terms energy: -711.866602 where: bonds (distance) C4'-P energy: -119.992 bonds (distance) P-C4' energy: -125.276 flat angles C4'-P-C4' energy: -152.846 flat angles P-C4'-P energy: -87.577 tors. eta vs tors. theta energy: -226.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2345.487907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.487907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.487907 (E_RNA) where: Base-Base interactions energy: -1636.496 where: short stacking energy: -672.575 Base-Backbone interact. energy: 0.156 local terms energy: -709.148483 where: bonds (distance) C4'-P energy: -124.503 bonds (distance) P-C4' energy: -145.461 flat angles C4'-P-C4' energy: -148.784 flat angles P-C4'-P energy: -99.937 tors. eta vs tors. theta energy: -190.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2338.661796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.661796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.661796 (E_RNA) where: Base-Base interactions energy: -1617.980 where: short stacking energy: -704.834 Base-Backbone interact. energy: -1.094 local terms energy: -719.588172 where: bonds (distance) C4'-P energy: -124.608 bonds (distance) P-C4' energy: -132.560 flat angles C4'-P-C4' energy: -147.515 flat angles P-C4'-P energy: -100.722 tors. eta vs tors. theta energy: -214.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2204.807238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.807238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.807238 (E_RNA) where: Base-Base interactions energy: -1543.533 where: short stacking energy: -638.738 Base-Backbone interact. energy: -2.666 local terms energy: -658.608363 where: bonds (distance) C4'-P energy: -116.439 bonds (distance) P-C4' energy: -124.250 flat angles C4'-P-C4' energy: -127.018 flat angles P-C4'-P energy: -90.774 tors. eta vs tors. theta energy: -200.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2013.026721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.026721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.026721 (E_RNA) where: Base-Base interactions energy: -1385.620 where: short stacking energy: -572.095 Base-Backbone interact. energy: -1.435 local terms energy: -625.972559 where: bonds (distance) C4'-P energy: -106.254 bonds (distance) P-C4' energy: -118.009 flat angles C4'-P-C4' energy: -142.018 flat angles P-C4'-P energy: -88.525 tors. eta vs tors. theta energy: -171.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1715.059115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.059115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.059115 (E_RNA) where: Base-Base interactions energy: -1124.450 where: short stacking energy: -507.093 Base-Backbone interact. energy: -1.279 local terms energy: -589.329321 where: bonds (distance) C4'-P energy: -104.657 bonds (distance) P-C4' energy: -138.574 flat angles C4'-P-C4' energy: -133.781 flat angles P-C4'-P energy: -76.456 tors. eta vs tors. theta energy: -135.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1648.815131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.815131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.815131 (E_RNA) where: Base-Base interactions energy: -1124.068 where: short stacking energy: -479.834 Base-Backbone interact. energy: 0.916 local terms energy: -525.663307 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -116.300 flat angles C4'-P-C4' energy: -101.575 flat angles P-C4'-P energy: -87.574 tors. eta vs tors. theta energy: -122.181 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: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1319.758512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.758512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.758512 (E_RNA) where: Base-Base interactions energy: -879.533 where: short stacking energy: -386.682 Base-Backbone interact. energy: -3.224 local terms energy: -437.001772 where: bonds (distance) C4'-P energy: -80.990 bonds (distance) P-C4' energy: -112.461 flat angles C4'-P-C4' energy: -118.431 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: -61.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -871.385322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.385322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.385322 (E_RNA) where: Base-Base interactions energy: -470.588 where: short stacking energy: -260.937 Base-Backbone interact. energy: 9.101 local terms energy: -409.898602 where: bonds (distance) C4'-P energy: -121.351 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -84.330 flat angles P-C4'-P energy: -63.209 tors. eta vs tors. theta energy: -31.791 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: 124 Temperature: 0.900000 Total energy: -2593.972548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.972548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.972548 (E_RNA) where: Base-Base interactions energy: -1834.252 where: short stacking energy: -752.086 Base-Backbone interact. energy: -1.136 local terms energy: -758.583973 where: bonds (distance) C4'-P energy: -133.581 bonds (distance) P-C4' energy: -115.303 flat angles C4'-P-C4' energy: -162.268 flat angles P-C4'-P energy: -111.977 tors. eta vs tors. theta energy: -235.455 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: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2532.863202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.863202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.863202 (E_RNA) where: Base-Base interactions energy: -1807.652 where: short stacking energy: -748.370 Base-Backbone interact. energy: -3.021 local terms energy: -722.189297 where: bonds (distance) C4'-P energy: -121.466 bonds (distance) P-C4' energy: -139.800 flat angles C4'-P-C4' energy: -151.625 flat angles P-C4'-P energy: -91.651 tors. eta vs tors. theta energy: -217.647 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: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2361.995902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.995902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.995902 (E_RNA) where: Base-Base interactions energy: -1651.259 where: short stacking energy: -690.411 Base-Backbone interact. energy: -2.494 local terms energy: -708.243259 where: bonds (distance) C4'-P energy: -129.365 bonds (distance) P-C4' energy: -122.541 flat angles C4'-P-C4' energy: -157.795 flat angles P-C4'-P energy: -103.393 tors. eta vs tors. theta energy: -195.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2308.769334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.769334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.769334 (E_RNA) where: Base-Base interactions energy: -1592.346 where: short stacking energy: -690.812 Base-Backbone interact. energy: -2.068 local terms energy: -714.355385 where: bonds (distance) C4'-P energy: -129.780 bonds (distance) P-C4' energy: -114.177 flat angles C4'-P-C4' energy: -155.686 flat angles P-C4'-P energy: -100.910 tors. eta vs tors. theta energy: -213.803 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: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2209.077611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.077611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.077611 (E_RNA) where: Base-Base interactions energy: -1561.339 where: short stacking energy: -669.418 Base-Backbone interact. energy: -2.964 local terms energy: -644.774073 where: bonds (distance) C4'-P energy: -123.441 bonds (distance) P-C4' energy: -90.104 flat angles C4'-P-C4' energy: -141.694 flat angles P-C4'-P energy: -87.186 tors. eta vs tors. theta energy: -202.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1944.709875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.709875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.709875 (E_RNA) where: Base-Base interactions energy: -1310.906 where: short stacking energy: -549.629 Base-Backbone interact. energy: -2.461 local terms energy: -631.342277 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -126.317 flat angles C4'-P-C4' energy: -145.036 flat angles P-C4'-P energy: -89.134 tors. eta vs tors. theta energy: -160.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1781.745561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.745561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.745561 (E_RNA) where: Base-Base interactions energy: -1204.306 where: short stacking energy: -515.745 Base-Backbone interact. energy: -0.840 local terms energy: -576.599482 where: bonds (distance) C4'-P energy: -98.251 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -135.751 flat angles P-C4'-P energy: -84.366 tors. eta vs tors. theta energy: -133.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1538.782811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.782811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.782811 (E_RNA) where: Base-Base interactions energy: -1027.072 where: short stacking energy: -436.139 Base-Backbone interact. energy: -1.537 local terms energy: -510.173681 where: bonds (distance) C4'-P energy: -104.414 bonds (distance) P-C4' energy: -104.464 flat angles C4'-P-C4' energy: -123.107 flat angles P-C4'-P energy: -82.411 tors. eta vs tors. theta energy: -95.778 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: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1407.490663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.490663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.490663 (E_RNA) where: Base-Base interactions energy: -926.601 where: short stacking energy: -427.194 Base-Backbone interact. energy: 4.394 local terms energy: -485.284266 where: bonds (distance) C4'-P energy: -106.774 bonds (distance) P-C4' energy: -120.340 flat angles C4'-P-C4' energy: -108.969 flat angles P-C4'-P energy: -50.634 tors. eta vs tors. theta energy: -98.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -869.920039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.920039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.920039 (E_RNA) where: Base-Base interactions energy: -485.342 where: short stacking energy: -255.685 Base-Backbone interact. energy: -2.169 local terms energy: -382.409439 where: bonds (distance) C4'-P energy: -104.763 bonds (distance) P-C4' energy: -109.082 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -43.487 tors. eta vs tors. theta energy: -11.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2575.112798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.112798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.112798 (E_RNA) where: Base-Base interactions energy: -1824.827 where: short stacking energy: -761.851 Base-Backbone interact. energy: 0.691 local terms energy: -750.977428 where: bonds (distance) C4'-P energy: -131.467 bonds (distance) P-C4' energy: -120.952 flat angles C4'-P-C4' energy: -164.642 flat angles P-C4'-P energy: -104.005 tors. eta vs tors. theta energy: -229.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2540.326486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.326486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.326486 (E_RNA) where: Base-Base interactions energy: -1802.596 where: short stacking energy: -736.868 Base-Backbone interact. energy: 1.114 local terms energy: -738.844609 where: bonds (distance) C4'-P energy: -131.345 bonds (distance) P-C4' energy: -124.956 flat angles C4'-P-C4' energy: -161.731 flat angles P-C4'-P energy: -98.098 tors. eta vs tors. theta energy: -222.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2363.573439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.573439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.573439 (E_RNA) where: Base-Base interactions energy: -1672.197 where: short stacking energy: -719.903 Base-Backbone interact. energy: -1.220 local terms energy: -690.156605 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -121.672 flat angles C4'-P-C4' energy: -145.941 flat angles P-C4'-P energy: -107.457 tors. eta vs tors. theta energy: -203.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2284.676684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.676684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.676684 (E_RNA) where: Base-Base interactions energy: -1600.771 where: short stacking energy: -660.544 Base-Backbone interact. energy: -0.842 local terms energy: -683.063656 where: bonds (distance) C4'-P energy: -120.549 bonds (distance) P-C4' energy: -128.471 flat angles C4'-P-C4' energy: -139.700 flat angles P-C4'-P energy: -91.076 tors. eta vs tors. theta energy: -203.268 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: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2220.881818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.881818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.881818 (E_RNA) where: Base-Base interactions energy: -1559.932 where: short stacking energy: -676.916 Base-Backbone interact. energy: -0.178 local terms energy: -660.771656 where: bonds (distance) C4'-P energy: -110.420 bonds (distance) P-C4' energy: -114.329 flat angles C4'-P-C4' energy: -135.889 flat angles P-C4'-P energy: -97.549 tors. eta vs tors. theta energy: -202.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2003.359092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.359092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.359092 (E_RNA) where: Base-Base interactions energy: -1393.765 where: short stacking energy: -582.410 Base-Backbone interact. energy: -0.150 local terms energy: -609.444522 where: bonds (distance) C4'-P energy: -96.370 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -139.663 flat angles P-C4'-P energy: -86.594 tors. eta vs tors. theta energy: -161.324 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: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1753.344759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.344759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.344759 (E_RNA) where: Base-Base interactions energy: -1185.427 where: short stacking energy: -508.536 Base-Backbone interact. energy: -0.079 local terms energy: -567.838503 where: bonds (distance) C4'-P energy: -105.221 bonds (distance) P-C4' energy: -112.834 flat angles C4'-P-C4' energy: -129.414 flat angles P-C4'-P energy: -89.858 tors. eta vs tors. theta energy: -130.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1456.982467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.982467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.982467 (E_RNA) where: Base-Base interactions energy: -945.674 where: short stacking energy: -420.130 Base-Backbone interact. energy: 1.307 local terms energy: -512.614966 where: bonds (distance) C4'-P energy: -104.920 bonds (distance) P-C4' energy: -129.891 flat angles C4'-P-C4' energy: -112.621 flat angles P-C4'-P energy: -71.132 tors. eta vs tors. theta energy: -94.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1391.957604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.957604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.957604 (E_RNA) where: Base-Base interactions energy: -924.243 where: short stacking energy: -383.439 Base-Backbone interact. energy: -1.816 local terms energy: -465.897791 where: bonds (distance) C4'-P energy: -123.626 bonds (distance) P-C4' energy: -105.597 flat angles C4'-P-C4' energy: -102.975 flat angles P-C4'-P energy: -68.205 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: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -862.495000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.495000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.495000 (E_RNA) where: Base-Base interactions energy: -511.971 where: short stacking energy: -259.412 Base-Backbone interact. energy: -2.445 local terms energy: -348.078690 where: bonds (distance) C4'-P energy: -97.660 bonds (distance) P-C4' energy: -106.610 flat angles C4'-P-C4' energy: -91.819 flat angles P-C4'-P energy: -39.742 tors. eta vs tors. theta energy: -12.247 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: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2593.222754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.222754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.222754 (E_RNA) where: Base-Base interactions energy: -1817.281 where: short stacking energy: -747.532 Base-Backbone interact. energy: 1.684 local terms energy: -777.625212 where: bonds (distance) C4'-P energy: -137.620 bonds (distance) P-C4' energy: -136.691 flat angles C4'-P-C4' energy: -166.156 flat angles P-C4'-P energy: -105.572 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: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2505.670737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.670737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.670737 (E_RNA) where: Base-Base interactions energy: -1774.337 where: short stacking energy: -737.348 Base-Backbone interact. energy: -3.233 local terms energy: -728.101459 where: bonds (distance) C4'-P energy: -126.195 bonds (distance) P-C4' energy: -134.377 flat angles C4'-P-C4' energy: -147.181 flat angles P-C4'-P energy: -101.630 tors. eta vs tors. theta energy: -218.718 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: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2372.244121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.244121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.244121 (E_RNA) where: Base-Base interactions energy: -1680.892 where: short stacking energy: -693.092 Base-Backbone interact. energy: 0.987 local terms energy: -692.338444 where: bonds (distance) C4'-P energy: -112.655 bonds (distance) P-C4' energy: -125.691 flat angles C4'-P-C4' energy: -145.180 flat angles P-C4'-P energy: -102.626 tors. eta vs tors. theta energy: -206.186 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: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2251.790910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.790910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.790910 (E_RNA) where: Base-Base interactions energy: -1576.501 where: short stacking energy: -657.312 Base-Backbone interact. energy: -1.743 local terms energy: -673.546870 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -117.371 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -91.461 tors. eta vs tors. theta energy: -200.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2182.457692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.457692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.457692 (E_RNA) where: Base-Base interactions energy: -1510.280 where: short stacking energy: -635.152 Base-Backbone interact. energy: -2.243 local terms energy: -669.935066 where: bonds (distance) C4'-P energy: -117.740 bonds (distance) P-C4' energy: -121.724 flat angles C4'-P-C4' energy: -142.009 flat angles P-C4'-P energy: -104.384 tors. eta vs tors. theta energy: -184.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2079.473684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.473684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.473684 (E_RNA) where: Base-Base interactions energy: -1455.674 where: short stacking energy: -622.176 Base-Backbone interact. energy: -1.016 local terms energy: -622.783835 where: bonds (distance) C4'-P energy: -117.036 bonds (distance) P-C4' energy: -106.550 flat angles C4'-P-C4' energy: -136.564 flat angles P-C4'-P energy: -88.919 tors. eta vs tors. theta energy: -173.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1756.444054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.444054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.444054 (E_RNA) where: Base-Base interactions energy: -1224.800 where: short stacking energy: -513.771 Base-Backbone interact. energy: -3.296 local terms energy: -528.347700 where: bonds (distance) C4'-P energy: -107.668 bonds (distance) P-C4' energy: -106.300 flat angles C4'-P-C4' energy: -119.067 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: -131.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1493.066486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.066486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.066486 (E_RNA) where: Base-Base interactions energy: -963.708 where: short stacking energy: -440.255 Base-Backbone interact. energy: -0.164 local terms energy: -529.194397 where: bonds (distance) C4'-P energy: -101.495 bonds (distance) P-C4' energy: -124.263 flat angles C4'-P-C4' energy: -122.788 flat angles P-C4'-P energy: -75.451 tors. eta vs tors. theta energy: -105.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1435.886922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.886922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.886922 (E_RNA) where: Base-Base interactions energy: -937.263 where: short stacking energy: -408.295 Base-Backbone interact. energy: 2.087 local terms energy: -500.710857 where: bonds (distance) C4'-P energy: -118.146 bonds (distance) P-C4' energy: -93.573 flat angles C4'-P-C4' energy: -118.763 flat angles P-C4'-P energy: -77.546 tors. eta vs tors. theta energy: -92.682 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: 126 Temperature: 1.350000 Total energy: -922.911581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.911581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.911581 (E_RNA) where: Base-Base interactions energy: -556.257 where: short stacking energy: -274.532 Base-Backbone interact. energy: -2.057 local terms energy: -364.596785 where: bonds (distance) C4'-P energy: -107.161 bonds (distance) P-C4' energy: -91.471 flat angles C4'-P-C4' energy: -94.103 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -14.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2572.198034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.198034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.198034 (E_RNA) where: Base-Base interactions energy: -1805.532 where: short stacking energy: -741.102 Base-Backbone interact. energy: -2.455 local terms energy: -764.211367 where: bonds (distance) C4'-P energy: -144.438 bonds (distance) P-C4' energy: -129.700 flat angles C4'-P-C4' energy: -158.776 flat angles P-C4'-P energy: -100.367 tors. eta vs tors. theta energy: -230.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2536.757545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.757545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.757545 (E_RNA) where: Base-Base interactions energy: -1783.992 where: short stacking energy: -743.254 Base-Backbone interact. energy: -0.462 local terms energy: -752.303694 where: bonds (distance) C4'-P energy: -133.048 bonds (distance) P-C4' energy: -138.031 flat angles C4'-P-C4' energy: -150.493 flat angles P-C4'-P energy: -112.979 tors. eta vs tors. theta energy: -217.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2353.481028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.481028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.481028 (E_RNA) where: Base-Base interactions energy: -1654.550 where: short stacking energy: -713.290 Base-Backbone interact. energy: -1.501 local terms energy: -697.429915 where: bonds (distance) C4'-P energy: -110.998 bonds (distance) P-C4' energy: -126.807 flat angles C4'-P-C4' energy: -146.435 flat angles P-C4'-P energy: -109.126 tors. eta vs tors. theta energy: -204.063 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: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2257.546919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.546919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.546919 (E_RNA) where: Base-Base interactions energy: -1624.282 where: short stacking energy: -646.864 Base-Backbone interact. energy: 0.487 local terms energy: -633.752463 where: bonds (distance) C4'-P energy: -111.687 bonds (distance) P-C4' energy: -112.326 flat angles C4'-P-C4' energy: -135.877 flat angles P-C4'-P energy: -79.612 tors. eta vs tors. theta energy: -194.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2205.327227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.327227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.327227 (E_RNA) where: Base-Base interactions energy: -1531.239 where: short stacking energy: -660.736 Base-Backbone interact. energy: -1.717 local terms energy: -672.371053 where: bonds (distance) C4'-P energy: -115.698 bonds (distance) P-C4' energy: -125.477 flat angles C4'-P-C4' energy: -145.438 flat angles P-C4'-P energy: -92.984 tors. eta vs tors. theta energy: -192.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2060.937717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.937717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.937717 (E_RNA) where: Base-Base interactions energy: -1431.357 where: short stacking energy: -589.227 Base-Backbone interact. energy: -1.757 local terms energy: -627.823573 where: bonds (distance) C4'-P energy: -120.070 bonds (distance) P-C4' energy: -120.248 flat angles C4'-P-C4' energy: -134.008 flat angles P-C4'-P energy: -82.906 tors. eta vs tors. theta energy: -170.591 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: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1695.187388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.187388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.187388 (E_RNA) where: Base-Base interactions energy: -1155.305 where: short stacking energy: -474.457 Base-Backbone interact. energy: -3.835 local terms energy: -536.047877 where: bonds (distance) C4'-P energy: -88.454 bonds (distance) P-C4' energy: -119.651 flat angles C4'-P-C4' energy: -122.675 flat angles P-C4'-P energy: -83.095 tors. eta vs tors. theta energy: -122.173 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: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1507.562295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.562295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.562295 (E_RNA) where: Base-Base interactions energy: -997.246 where: short stacking energy: -437.475 Base-Backbone interact. energy: 0.209 local terms energy: -510.525381 where: bonds (distance) C4'-P energy: -110.171 bonds (distance) P-C4' energy: -129.256 flat angles C4'-P-C4' energy: -114.043 flat angles P-C4'-P energy: -71.200 tors. eta vs tors. theta energy: -85.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1429.404684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.404684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.404684 (E_RNA) where: Base-Base interactions energy: -961.800 where: short stacking energy: -382.091 Base-Backbone interact. energy: -3.542 local terms energy: -464.062763 where: bonds (distance) C4'-P energy: -114.514 bonds (distance) P-C4' energy: -103.179 flat angles C4'-P-C4' energy: -97.176 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -77.935 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: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -971.711904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.711904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.711904 (E_RNA) where: Base-Base interactions energy: -566.343 where: short stacking energy: -278.671 Base-Backbone interact. energy: 1.811 local terms energy: -407.179511 where: bonds (distance) C4'-P energy: -103.990 bonds (distance) P-C4' energy: -103.906 flat angles C4'-P-C4' energy: -105.139 flat angles P-C4'-P energy: -53.175 tors. eta vs tors. theta energy: -40.970 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: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2591.682202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.682202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.682202 (E_RNA) where: Base-Base interactions energy: -1838.160 where: short stacking energy: -758.851 Base-Backbone interact. energy: -1.797 local terms energy: -751.724754 where: bonds (distance) C4'-P energy: -127.310 bonds (distance) P-C4' energy: -125.833 flat angles C4'-P-C4' energy: -156.377 flat angles P-C4'-P energy: -107.966 tors. eta vs tors. theta energy: -234.239 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: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2534.800569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.800569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.800569 (E_RNA) where: Base-Base interactions energy: -1776.745 where: short stacking energy: -744.453 Base-Backbone interact. energy: 1.265 local terms energy: -759.320475 where: bonds (distance) C4'-P energy: -139.873 bonds (distance) P-C4' energy: -138.279 flat angles C4'-P-C4' energy: -154.642 flat angles P-C4'-P energy: -105.848 tors. eta vs tors. theta energy: -220.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2376.610775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.610775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.610775 (E_RNA) where: Base-Base interactions energy: -1663.498 where: short stacking energy: -697.142 Base-Backbone interact. energy: -0.079 local terms energy: -713.033545 where: bonds (distance) C4'-P energy: -126.506 bonds (distance) P-C4' energy: -134.240 flat angles C4'-P-C4' energy: -143.254 flat angles P-C4'-P energy: -101.927 tors. eta vs tors. theta energy: -207.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2283.418647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.418647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.418647 (E_RNA) where: Base-Base interactions energy: -1609.083 where: short stacking energy: -663.275 Base-Backbone interact. energy: -2.587 local terms energy: -671.748546 where: bonds (distance) C4'-P energy: -125.167 bonds (distance) P-C4' energy: -121.772 flat angles C4'-P-C4' energy: -142.592 flat angles P-C4'-P energy: -88.766 tors. eta vs tors. theta energy: -193.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2168.886015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.886015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.886015 (E_RNA) where: Base-Base interactions energy: -1491.838 where: short stacking energy: -605.379 Base-Backbone interact. energy: 0.409 local terms energy: -677.457348 where: bonds (distance) C4'-P energy: -97.480 bonds (distance) P-C4' energy: -132.141 flat angles C4'-P-C4' energy: -142.349 flat angles P-C4'-P energy: -114.174 tors. eta vs tors. theta energy: -191.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2073.419995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.419995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.419995 (E_RNA) where: Base-Base interactions energy: -1452.462 where: short stacking energy: -616.189 Base-Backbone interact. energy: -0.520 local terms energy: -620.438094 where: bonds (distance) C4'-P energy: -120.606 bonds (distance) P-C4' energy: -112.828 flat angles C4'-P-C4' energy: -132.498 flat angles P-C4'-P energy: -80.224 tors. eta vs tors. theta energy: -174.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1725.762515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.762515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.762515 (E_RNA) where: Base-Base interactions energy: -1183.518 where: short stacking energy: -493.992 Base-Backbone interact. energy: -0.908 local terms energy: -541.336711 where: bonds (distance) C4'-P energy: -89.591 bonds (distance) P-C4' energy: -118.519 flat angles C4'-P-C4' energy: -131.759 flat angles P-C4'-P energy: -72.533 tors. eta vs tors. theta energy: -128.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1558.187781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.187781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.187781 (E_RNA) where: Base-Base interactions energy: -1025.929 where: short stacking energy: -459.882 Base-Backbone interact. energy: 4.082 local terms energy: -536.340907 where: bonds (distance) C4'-P energy: -101.313 bonds (distance) P-C4' energy: -128.080 flat angles C4'-P-C4' energy: -117.622 flat angles P-C4'-P energy: -79.213 tors. eta vs tors. theta energy: -110.113 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1474.661623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.661623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.661623 (E_RNA) where: Base-Base interactions energy: -1031.134 where: short stacking energy: -445.645 Base-Backbone interact. energy: 5.252 local terms energy: -448.779455 where: bonds (distance) C4'-P energy: -101.602 bonds (distance) P-C4' energy: -104.993 flat angles C4'-P-C4' energy: -102.358 flat angles P-C4'-P energy: -49.530 tors. eta vs tors. theta energy: -90.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -973.838346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.838346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.838346 (E_RNA) where: Base-Base interactions energy: -579.436 where: short stacking energy: -273.556 Base-Backbone interact. energy: 2.306 local terms energy: -396.708032 where: bonds (distance) C4'-P energy: -113.691 bonds (distance) P-C4' energy: -100.249 flat angles C4'-P-C4' energy: -93.511 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -33.985 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: 129 Temperature: 0.900000 Total energy: -2558.281099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.281099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.281099 (E_RNA) where: Base-Base interactions energy: -1813.882 where: short stacking energy: -748.796 Base-Backbone interact. energy: -1.428 local terms energy: -742.970916 where: bonds (distance) C4'-P energy: -120.556 bonds (distance) P-C4' energy: -127.526 flat angles C4'-P-C4' energy: -162.410 flat angles P-C4'-P energy: -106.982 tors. eta vs tors. theta energy: -225.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2509.987067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.987067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.987067 (E_RNA) where: Base-Base interactions energy: -1782.871 where: short stacking energy: -729.409 Base-Backbone interact. energy: -0.038 local terms energy: -727.078693 where: bonds (distance) C4'-P energy: -121.380 bonds (distance) P-C4' energy: -125.846 flat angles C4'-P-C4' energy: -144.170 flat angles P-C4'-P energy: -109.710 tors. eta vs tors. theta energy: -225.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2386.245421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.245421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.245421 (E_RNA) where: Base-Base interactions energy: -1662.893 where: short stacking energy: -714.335 Base-Backbone interact. energy: -2.674 local terms energy: -720.678541 where: bonds (distance) C4'-P energy: -135.577 bonds (distance) P-C4' energy: -128.720 flat angles C4'-P-C4' energy: -139.338 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -211.975 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: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2330.004721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.004721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.004721 (E_RNA) where: Base-Base interactions energy: -1640.666 where: short stacking energy: -682.700 Base-Backbone interact. energy: -3.449 local terms energy: -685.889481 where: bonds (distance) C4'-P energy: -113.624 bonds (distance) P-C4' energy: -133.594 flat angles C4'-P-C4' energy: -145.596 flat angles P-C4'-P energy: -100.112 tors. eta vs tors. theta energy: -192.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2226.408923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.408923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.408923 (E_RNA) where: Base-Base interactions energy: -1550.921 where: short stacking energy: -627.181 Base-Backbone interact. energy: -0.539 local terms energy: -674.948871 where: bonds (distance) C4'-P energy: -119.435 bonds (distance) P-C4' energy: -119.724 flat angles C4'-P-C4' energy: -138.138 flat angles P-C4'-P energy: -112.687 tors. eta vs tors. theta energy: -184.965 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: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2064.871072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.871072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.871072 (E_RNA) where: Base-Base interactions energy: -1439.349 where: short stacking energy: -596.599 Base-Backbone interact. energy: -2.652 local terms energy: -622.869357 where: bonds (distance) C4'-P energy: -99.336 bonds (distance) P-C4' energy: -122.228 flat angles C4'-P-C4' energy: -140.969 flat angles P-C4'-P energy: -87.068 tors. eta vs tors. theta energy: -173.267 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: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1774.816407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.816407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.816407 (E_RNA) where: Base-Base interactions energy: -1192.941 where: short stacking energy: -529.602 Base-Backbone interact. energy: -0.641 local terms energy: -581.234281 where: bonds (distance) C4'-P energy: -125.398 bonds (distance) P-C4' energy: -121.440 flat angles C4'-P-C4' energy: -125.029 flat angles P-C4'-P energy: -68.591 tors. eta vs tors. theta energy: -140.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1637.227997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.227997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.227997 (E_RNA) where: Base-Base interactions energy: -1102.835 where: short stacking energy: -453.048 Base-Backbone interact. energy: -1.939 local terms energy: -532.453958 where: bonds (distance) C4'-P energy: -114.760 bonds (distance) P-C4' energy: -100.839 flat angles C4'-P-C4' energy: -131.909 flat angles P-C4'-P energy: -73.562 tors. eta vs tors. theta energy: -111.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1481.913898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.913898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.913898 (E_RNA) where: Base-Base interactions energy: -1009.072 where: short stacking energy: -446.412 Base-Backbone interact. energy: -2.424 local terms energy: -470.418328 where: bonds (distance) C4'-P energy: -88.684 bonds (distance) P-C4' energy: -108.800 flat angles C4'-P-C4' energy: -102.017 flat angles P-C4'-P energy: -73.353 tors. eta vs tors. theta energy: -97.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -949.093851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.093851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.093851 (E_RNA) where: Base-Base interactions energy: -544.961 where: short stacking energy: -259.109 Base-Backbone interact. energy: -3.713 local terms energy: -400.419771 where: bonds (distance) C4'-P energy: -100.292 bonds (distance) P-C4' energy: -121.816 flat angles C4'-P-C4' energy: -91.948 flat angles P-C4'-P energy: -58.951 tors. eta vs tors. theta energy: -27.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2584.616344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.616344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.616344 (E_RNA) where: Base-Base interactions energy: -1808.520 where: short stacking energy: -763.759 Base-Backbone interact. energy: -0.612 local terms energy: -775.483920 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -139.778 flat angles C4'-P-C4' energy: -170.994 flat angles P-C4'-P energy: -112.915 tors. eta vs tors. theta energy: -229.693 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: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2505.144008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.144008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.144008 (E_RNA) where: Base-Base interactions energy: -1766.553 where: short stacking energy: -719.397 Base-Backbone interact. energy: -2.883 local terms energy: -735.707953 where: bonds (distance) C4'-P energy: -130.749 bonds (distance) P-C4' energy: -125.972 flat angles C4'-P-C4' energy: -155.650 flat angles P-C4'-P energy: -107.598 tors. eta vs tors. theta energy: -215.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2353.543278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.543278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.543278 (E_RNA) where: Base-Base interactions energy: -1662.099 where: short stacking energy: -716.079 Base-Backbone interact. energy: -1.395 local terms energy: -690.048888 where: bonds (distance) C4'-P energy: -118.646 bonds (distance) P-C4' energy: -124.792 flat angles C4'-P-C4' energy: -132.578 flat angles P-C4'-P energy: -102.186 tors. eta vs tors. theta energy: -211.847 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: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2303.526370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.526370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.526370 (E_RNA) where: Base-Base interactions energy: -1606.952 where: short stacking energy: -672.136 Base-Backbone interact. energy: 3.780 local terms energy: -700.354704 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -124.881 flat angles C4'-P-C4' energy: -152.385 flat angles P-C4'-P energy: -89.919 tors. eta vs tors. theta energy: -189.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2167.966233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.966233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.966233 (E_RNA) where: Base-Base interactions energy: -1493.218 where: short stacking energy: -613.086 Base-Backbone interact. energy: -1.995 local terms energy: -672.752878 where: bonds (distance) C4'-P energy: -103.881 bonds (distance) P-C4' energy: -135.632 flat angles C4'-P-C4' energy: -151.621 flat angles P-C4'-P energy: -91.685 tors. eta vs tors. theta energy: -189.935 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: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2083.224924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.224924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.224924 (E_RNA) where: Base-Base interactions energy: -1458.396 where: short stacking energy: -590.052 Base-Backbone interact. energy: 5.664 local terms energy: -630.492572 where: bonds (distance) C4'-P energy: -118.805 bonds (distance) P-C4' energy: -127.113 flat angles C4'-P-C4' energy: -134.758 flat angles P-C4'-P energy: -86.120 tors. eta vs tors. theta energy: -163.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1712.284432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.284432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.284432 (E_RNA) where: Base-Base interactions energy: -1172.547 where: short stacking energy: -517.967 Base-Backbone interact. energy: -0.775 local terms energy: -538.962488 where: bonds (distance) C4'-P energy: -103.832 bonds (distance) P-C4' energy: -101.762 flat angles C4'-P-C4' energy: -122.073 flat angles P-C4'-P energy: -82.262 tors. eta vs tors. theta energy: -129.032 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: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1588.280025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.280025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.280025 (E_RNA) where: Base-Base interactions energy: -1096.245 where: short stacking energy: -447.691 Base-Backbone interact. energy: -1.801 local terms energy: -490.234053 where: bonds (distance) C4'-P energy: -94.526 bonds (distance) P-C4' energy: -122.185 flat angles C4'-P-C4' energy: -106.321 flat angles P-C4'-P energy: -68.430 tors. eta vs tors. theta energy: -98.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1437.221542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.221542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.221542 (E_RNA) where: Base-Base interactions energy: -939.816 where: short stacking energy: -398.196 Base-Backbone interact. energy: -0.617 local terms energy: -496.788038 where: bonds (distance) C4'-P energy: -116.586 bonds (distance) P-C4' energy: -120.739 flat angles C4'-P-C4' energy: -105.333 flat angles P-C4'-P energy: -62.542 tors. eta vs tors. theta energy: -91.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -970.707144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.707144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.707144 (E_RNA) where: Base-Base interactions energy: -567.105 where: short stacking energy: -244.108 Base-Backbone interact. energy: 1.706 local terms energy: -405.307366 where: bonds (distance) C4'-P energy: -109.586 bonds (distance) P-C4' energy: -116.065 flat angles C4'-P-C4' energy: -103.229 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -24.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2580.105507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.105507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.105507 (E_RNA) where: Base-Base interactions energy: -1820.642 where: short stacking energy: -736.808 Base-Backbone interact. energy: -3.167 local terms energy: -756.296421 where: bonds (distance) C4'-P energy: -134.119 bonds (distance) P-C4' energy: -134.060 flat angles C4'-P-C4' energy: -151.868 flat angles P-C4'-P energy: -108.715 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: 2, replica: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2497.561604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.561604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.561604 (E_RNA) where: Base-Base interactions energy: -1757.140 where: short stacking energy: -730.677 Base-Backbone interact. energy: -3.767 local terms energy: -736.654158 where: bonds (distance) C4'-P energy: -133.664 bonds (distance) P-C4' energy: -128.344 flat angles C4'-P-C4' energy: -162.344 flat angles P-C4'-P energy: -97.546 tors. eta vs tors. theta energy: -214.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2368.939050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.939050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.939050 (E_RNA) where: Base-Base interactions energy: -1668.121 where: short stacking energy: -700.802 Base-Backbone interact. energy: -1.583 local terms energy: -699.235176 where: bonds (distance) C4'-P energy: -126.235 bonds (distance) P-C4' energy: -119.614 flat angles C4'-P-C4' energy: -148.270 flat angles P-C4'-P energy: -101.744 tors. eta vs tors. theta energy: -203.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2244.812792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.812792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.812792 (E_RNA) where: Base-Base interactions energy: -1580.935 where: short stacking energy: -661.877 Base-Backbone interact. energy: -0.390 local terms energy: -663.487846 where: bonds (distance) C4'-P energy: -136.228 bonds (distance) P-C4' energy: -111.182 flat angles C4'-P-C4' energy: -130.627 flat angles P-C4'-P energy: -100.829 tors. eta vs tors. theta energy: -184.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2198.910115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.910115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.910115 (E_RNA) where: Base-Base interactions energy: -1536.886 where: short stacking energy: -645.542 Base-Backbone interact. energy: -0.692 local terms energy: -661.331935 where: bonds (distance) C4'-P energy: -121.580 bonds (distance) P-C4' energy: -120.173 flat angles C4'-P-C4' energy: -137.695 flat angles P-C4'-P energy: -91.980 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: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2047.568981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.568981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.568981 (E_RNA) where: Base-Base interactions energy: -1455.277 where: short stacking energy: -607.203 Base-Backbone interact. energy: 1.133 local terms energy: -593.425014 where: bonds (distance) C4'-P energy: -127.077 bonds (distance) P-C4' energy: -104.811 flat angles C4'-P-C4' energy: -117.566 flat angles P-C4'-P energy: -85.707 tors. eta vs tors. theta energy: -158.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1781.810936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.810936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.810936 (E_RNA) where: Base-Base interactions energy: -1189.864 where: short stacking energy: -527.623 Base-Backbone interact. energy: -0.488 local terms energy: -591.459636 where: bonds (distance) C4'-P energy: -110.798 bonds (distance) P-C4' energy: -132.924 flat angles C4'-P-C4' energy: -132.302 flat angles P-C4'-P energy: -72.662 tors. eta vs tors. theta energy: -142.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1565.125079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.125079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.125079 (E_RNA) where: Base-Base interactions energy: -1028.815 where: short stacking energy: -409.883 Base-Backbone interact. energy: -0.899 local terms energy: -535.410521 where: bonds (distance) C4'-P energy: -108.436 bonds (distance) P-C4' energy: -127.751 flat angles C4'-P-C4' energy: -130.742 flat angles P-C4'-P energy: -76.028 tors. eta vs tors. theta energy: -92.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1465.751437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.751437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.751437 (E_RNA) where: Base-Base interactions energy: -1003.068 where: short stacking energy: -416.684 Base-Backbone interact. energy: -0.617 local terms energy: -462.066533 where: bonds (distance) C4'-P energy: -95.188 bonds (distance) P-C4' energy: -93.170 flat angles C4'-P-C4' energy: -125.462 flat angles P-C4'-P energy: -54.933 tors. eta vs tors. theta energy: -93.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -932.308628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.308628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.308628 (E_RNA) where: Base-Base interactions energy: -548.004 where: short stacking energy: -260.041 Base-Backbone interact. energy: -2.304 local terms energy: -382.001406 where: bonds (distance) C4'-P energy: -96.276 bonds (distance) P-C4' energy: -105.304 flat angles C4'-P-C4' energy: -109.382 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: -21.981 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: 6 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2563.958897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.958897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.958897 (E_RNA) where: Base-Base interactions energy: -1821.962 where: short stacking energy: -744.733 Base-Backbone interact. energy: -2.608 local terms energy: -739.388665 where: bonds (distance) C4'-P energy: -132.058 bonds (distance) P-C4' energy: -135.250 flat angles C4'-P-C4' energy: -154.337 flat angles P-C4'-P energy: -103.057 tors. eta vs tors. theta energy: -214.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2526.824613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.824613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.824613 (E_RNA) where: Base-Base interactions energy: -1757.081 where: short stacking energy: -727.017 Base-Backbone interact. energy: -1.662 local terms energy: -768.081133 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -138.974 flat angles C4'-P-C4' energy: -159.324 flat angles P-C4'-P energy: -113.546 tors. eta vs tors. theta energy: -220.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2343.043831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.043831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.043831 (E_RNA) where: Base-Base interactions energy: -1617.530 where: short stacking energy: -692.627 Base-Backbone interact. energy: 1.899 local terms energy: -727.413358 where: bonds (distance) C4'-P energy: -128.611 bonds (distance) P-C4' energy: -138.614 flat angles C4'-P-C4' energy: -143.601 flat angles P-C4'-P energy: -109.931 tors. eta vs tors. theta energy: -206.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2240.204224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.204224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.204224 (E_RNA) where: Base-Base interactions energy: -1599.592 where: short stacking energy: -649.320 Base-Backbone interact. energy: 1.124 local terms energy: -641.736008 where: bonds (distance) C4'-P energy: -107.423 bonds (distance) P-C4' energy: -114.037 flat angles C4'-P-C4' energy: -151.302 flat angles P-C4'-P energy: -75.047 tors. eta vs tors. theta energy: -193.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2180.769601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.769601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.769601 (E_RNA) where: Base-Base interactions energy: -1541.806 where: short stacking energy: -644.474 Base-Backbone interact. energy: -1.829 local terms energy: -637.134101 where: bonds (distance) C4'-P energy: -128.174 bonds (distance) P-C4' energy: -128.228 flat angles C4'-P-C4' energy: -126.469 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: -179.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2055.853802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.853802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.853802 (E_RNA) where: Base-Base interactions energy: -1389.851 where: short stacking energy: -591.528 Base-Backbone interact. energy: 3.747 local terms energy: -669.749928 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -137.643 flat angles C4'-P-C4' energy: -126.299 flat angles P-C4'-P energy: -100.907 tors. eta vs tors. theta energy: -173.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1834.106506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.106506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.106506 (E_RNA) where: Base-Base interactions energy: -1293.581 where: short stacking energy: -559.169 Base-Backbone interact. energy: -2.555 local terms energy: -537.970370 where: bonds (distance) C4'-P energy: -114.928 bonds (distance) P-C4' energy: -79.870 flat angles C4'-P-C4' energy: -124.549 flat angles P-C4'-P energy: -77.724 tors. eta vs tors. theta energy: -140.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1542.531366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.531366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.531366 (E_RNA) where: Base-Base interactions energy: -1010.135 where: short stacking energy: -420.767 Base-Backbone interact. energy: 1.845 local terms energy: -534.241737 where: bonds (distance) C4'-P energy: -108.422 bonds (distance) P-C4' energy: -122.849 flat angles C4'-P-C4' energy: -123.014 flat angles P-C4'-P energy: -80.549 tors. eta vs tors. theta energy: -99.407 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: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1431.740516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.740516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.740516 (E_RNA) where: Base-Base interactions energy: -991.728 where: short stacking energy: -450.923 Base-Backbone interact. energy: 0.940 local terms energy: -440.953162 where: bonds (distance) C4'-P energy: -103.003 bonds (distance) P-C4' energy: -99.705 flat angles C4'-P-C4' energy: -92.358 flat angles P-C4'-P energy: -46.024 tors. eta vs tors. theta energy: -99.862 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: 132 Temperature: 1.350000 Total energy: -890.438001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.438001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.438001 (E_RNA) where: Base-Base interactions energy: -520.808 where: short stacking energy: -236.003 Base-Backbone interact. energy: 3.003 local terms energy: -372.632995 where: bonds (distance) C4'-P energy: -109.866 bonds (distance) P-C4' energy: -109.009 flat angles C4'-P-C4' energy: -106.675 flat angles P-C4'-P energy: -30.626 tors. eta vs tors. theta energy: -16.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2560.592640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.592640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.592640 (E_RNA) where: Base-Base interactions energy: -1810.018 where: short stacking energy: -738.454 Base-Backbone interact. energy: -5.495 local terms energy: -745.080394 where: bonds (distance) C4'-P energy: -126.872 bonds (distance) P-C4' energy: -140.984 flat angles C4'-P-C4' energy: -153.608 flat angles P-C4'-P energy: -102.193 tors. eta vs tors. theta energy: -221.424 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: 133 Temperature: 0.950000 Total energy: -2495.321453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.321453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.321453 (E_RNA) where: Base-Base interactions energy: -1753.450 where: short stacking energy: -709.666 Base-Backbone interact. energy: -1.289 local terms energy: -740.582500 where: bonds (distance) C4'-P energy: -125.444 bonds (distance) P-C4' energy: -138.587 flat angles C4'-P-C4' energy: -152.256 flat angles P-C4'-P energy: -112.719 tors. eta vs tors. theta energy: -211.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2344.158448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.158448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.158448 (E_RNA) where: Base-Base interactions energy: -1645.538 where: short stacking energy: -698.720 Base-Backbone interact. energy: 1.421 local terms energy: -700.041689 where: bonds (distance) C4'-P energy: -120.394 bonds (distance) P-C4' energy: -129.608 flat angles C4'-P-C4' energy: -160.103 flat angles P-C4'-P energy: -79.124 tors. eta vs tors. theta energy: -210.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2275.411014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.411014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.411014 (E_RNA) where: Base-Base interactions energy: -1596.549 where: short stacking energy: -626.759 Base-Backbone interact. energy: -0.635 local terms energy: -678.226612 where: bonds (distance) C4'-P energy: -121.962 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -139.299 flat angles P-C4'-P energy: -95.022 tors. eta vs tors. theta energy: -189.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2213.550655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.550655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.550655 (E_RNA) where: Base-Base interactions energy: -1541.126 where: short stacking energy: -634.810 Base-Backbone interact. energy: -0.929 local terms energy: -671.496064 where: bonds (distance) C4'-P energy: -111.355 bonds (distance) P-C4' energy: -133.745 flat angles C4'-P-C4' energy: -151.550 flat angles P-C4'-P energy: -87.224 tors. eta vs tors. theta energy: -187.623 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: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2078.477391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.477391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.477391 (E_RNA) where: Base-Base interactions energy: -1449.302 where: short stacking energy: -607.292 Base-Backbone interact. energy: -0.643 local terms energy: -628.533130 where: bonds (distance) C4'-P energy: -111.580 bonds (distance) P-C4' energy: -121.669 flat angles C4'-P-C4' energy: -137.143 flat angles P-C4'-P energy: -86.225 tors. eta vs tors. theta energy: -171.917 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: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1826.115372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.115372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.115372 (E_RNA) where: Base-Base interactions energy: -1213.998 where: short stacking energy: -523.305 Base-Backbone interact. energy: 2.274 local terms energy: -614.391331 where: bonds (distance) C4'-P energy: -133.906 bonds (distance) P-C4' energy: -123.617 flat angles C4'-P-C4' energy: -116.789 flat angles P-C4'-P energy: -92.539 tors. eta vs tors. theta energy: -147.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1503.574462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.574462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.574462 (E_RNA) where: Base-Base interactions energy: -1032.231 where: short stacking energy: -437.256 Base-Backbone interact. energy: -2.148 local terms energy: -469.196359 where: bonds (distance) C4'-P energy: -100.741 bonds (distance) P-C4' energy: -113.944 flat angles C4'-P-C4' energy: -107.629 flat angles P-C4'-P energy: -63.129 tors. eta vs tors. theta energy: -83.753 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: 5 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1385.222647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.222647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.222647 (E_RNA) where: Base-Base interactions energy: -899.259 where: short stacking energy: -385.991 Base-Backbone interact. energy: -1.207 local terms energy: -484.756444 where: bonds (distance) C4'-P energy: -114.119 bonds (distance) P-C4' energy: -105.184 flat angles C4'-P-C4' energy: -110.079 flat angles P-C4'-P energy: -46.745 tors. eta vs tors. theta energy: -108.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -966.749586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.749586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.749586 (E_RNA) where: Base-Base interactions energy: -559.015 where: short stacking energy: -281.716 Base-Backbone interact. energy: -1.846 local terms energy: -405.888860 where: bonds (distance) C4'-P energy: -95.448 bonds (distance) P-C4' energy: -116.161 flat angles C4'-P-C4' energy: -107.942 flat angles P-C4'-P energy: -51.566 tors. eta vs tors. theta energy: -34.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2579.170579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.170579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.170579 (E_RNA) where: Base-Base interactions energy: -1829.206 where: short stacking energy: -739.605 Base-Backbone interact. energy: -1.731 local terms energy: -748.233166 where: bonds (distance) C4'-P energy: -117.910 bonds (distance) P-C4' energy: -138.517 flat angles C4'-P-C4' energy: -144.074 flat angles P-C4'-P energy: -122.838 tors. eta vs tors. theta energy: -224.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2513.828347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.828347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.828347 (E_RNA) where: Base-Base interactions energy: -1771.642 where: short stacking energy: -699.270 Base-Backbone interact. energy: -2.214 local terms energy: -739.972657 where: bonds (distance) C4'-P energy: -120.351 bonds (distance) P-C4' energy: -146.027 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -110.759 tors. eta vs tors. theta energy: -218.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2364.788061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.788061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.788061 (E_RNA) where: Base-Base interactions energy: -1654.640 where: short stacking energy: -673.864 Base-Backbone interact. energy: -3.228 local terms energy: -706.919561 where: bonds (distance) C4'-P energy: -118.797 bonds (distance) P-C4' energy: -139.111 flat angles C4'-P-C4' energy: -152.584 flat angles P-C4'-P energy: -97.419 tors. eta vs tors. theta energy: -199.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2303.060166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.060166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.060166 (E_RNA) where: Base-Base interactions energy: -1613.663 where: short stacking energy: -658.004 Base-Backbone interact. energy: -4.115 local terms energy: -685.281833 where: bonds (distance) C4'-P energy: -136.601 bonds (distance) P-C4' energy: -109.379 flat angles C4'-P-C4' energy: -144.106 flat angles P-C4'-P energy: -107.357 tors. eta vs tors. theta energy: -187.839 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: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2243.471104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.471104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.471104 (E_RNA) where: Base-Base interactions energy: -1546.519 where: short stacking energy: -659.893 Base-Backbone interact. energy: 6.989 local terms energy: -703.941301 where: bonds (distance) C4'-P energy: -137.238 bonds (distance) P-C4' energy: -124.356 flat angles C4'-P-C4' energy: -146.124 flat angles P-C4'-P energy: -91.034 tors. eta vs tors. theta energy: -205.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2090.897309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.897309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.897309 (E_RNA) where: Base-Base interactions energy: -1483.843 where: short stacking energy: -619.416 Base-Backbone interact. energy: 3.728 local terms energy: -610.782558 where: bonds (distance) C4'-P energy: -115.129 bonds (distance) P-C4' energy: -99.014 flat angles C4'-P-C4' energy: -139.901 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -180.755 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: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1819.193043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.193043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.193043 (E_RNA) where: Base-Base interactions energy: -1242.733 where: short stacking energy: -537.825 Base-Backbone interact. energy: -1.696 local terms energy: -574.763455 where: bonds (distance) C4'-P energy: -117.413 bonds (distance) P-C4' energy: -114.278 flat angles C4'-P-C4' energy: -130.667 flat angles P-C4'-P energy: -78.990 tors. eta vs tors. theta energy: -133.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1491.051200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.051200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.051200 (E_RNA) where: Base-Base interactions energy: -1002.736 where: short stacking energy: -419.256 Base-Backbone interact. energy: -1.475 local terms energy: -486.840550 where: bonds (distance) C4'-P energy: -104.795 bonds (distance) P-C4' energy: -122.494 flat angles C4'-P-C4' energy: -99.528 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -89.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1424.772493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.772493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.772493 (E_RNA) where: Base-Base interactions energy: -940.274 where: short stacking energy: -405.560 Base-Backbone interact. energy: -3.169 local terms energy: -481.329616 where: bonds (distance) C4'-P energy: -119.521 bonds (distance) P-C4' energy: -110.806 flat angles C4'-P-C4' energy: -104.610 flat angles P-C4'-P energy: -62.906 tors. eta vs tors. theta energy: -83.487 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: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1009.037547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.037547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.037547 (E_RNA) where: Base-Base interactions energy: -610.157 where: short stacking energy: -279.411 Base-Backbone interact. energy: 1.199 local terms energy: -400.079638 where: bonds (distance) C4'-P energy: -108.268 bonds (distance) P-C4' energy: -115.030 flat angles C4'-P-C4' energy: -102.918 flat angles P-C4'-P energy: -56.745 tors. eta vs tors. theta energy: -17.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2555.525978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.525978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.525978 (E_RNA) where: Base-Base interactions energy: -1823.881 where: short stacking energy: -730.326 Base-Backbone interact. energy: -3.224 local terms energy: -728.420560 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -129.729 flat angles C4'-P-C4' energy: -150.752 flat angles P-C4'-P energy: -102.618 tors. eta vs tors. theta energy: -218.945 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: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2515.210946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.210946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.210946 (E_RNA) where: Base-Base interactions energy: -1758.241 where: short stacking energy: -732.712 Base-Backbone interact. energy: -2.491 local terms energy: -754.478348 where: bonds (distance) C4'-P energy: -124.493 bonds (distance) P-C4' energy: -141.104 flat angles C4'-P-C4' energy: -156.744 flat angles P-C4'-P energy: -109.840 tors. eta vs tors. theta energy: -222.299 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: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2389.446351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.446351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.446351 (E_RNA) where: Base-Base interactions energy: -1665.332 where: short stacking energy: -690.359 Base-Backbone interact. energy: -1.686 local terms energy: -722.428164 where: bonds (distance) C4'-P energy: -127.421 bonds (distance) P-C4' energy: -135.751 flat angles C4'-P-C4' energy: -160.056 flat angles P-C4'-P energy: -96.197 tors. eta vs tors. theta energy: -203.003 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: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2303.037135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.037135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.037135 (E_RNA) where: Base-Base interactions energy: -1614.406 where: short stacking energy: -655.152 Base-Backbone interact. energy: -2.964 local terms energy: -685.667438 where: bonds (distance) C4'-P energy: -123.586 bonds (distance) P-C4' energy: -138.994 flat angles C4'-P-C4' energy: -137.508 flat angles P-C4'-P energy: -95.519 tors. eta vs tors. theta energy: -190.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2201.736968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.736968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.736968 (E_RNA) where: Base-Base interactions energy: -1564.035 where: short stacking energy: -642.350 Base-Backbone interact. energy: 1.267 local terms energy: -638.969084 where: bonds (distance) C4'-P energy: -106.564 bonds (distance) P-C4' energy: -127.062 flat angles C4'-P-C4' energy: -127.629 flat angles P-C4'-P energy: -89.020 tors. eta vs tors. theta energy: -188.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2107.413179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.413179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.413179 (E_RNA) where: Base-Base interactions energy: -1484.738 where: short stacking energy: -632.369 Base-Backbone interact. energy: -2.391 local terms energy: -620.283990 where: bonds (distance) C4'-P energy: -96.588 bonds (distance) P-C4' energy: -116.063 flat angles C4'-P-C4' energy: -139.481 flat angles P-C4'-P energy: -99.923 tors. eta vs tors. theta energy: -168.228 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: 135 Temperature: 1.200000 Total energy: -1702.986434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.986434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.986434 (E_RNA) where: Base-Base interactions energy: -1139.726 where: short stacking energy: -477.895 Base-Backbone interact. energy: -0.824 local terms energy: -562.436103 where: bonds (distance) C4'-P energy: -115.587 bonds (distance) P-C4' energy: -107.183 flat angles C4'-P-C4' energy: -119.874 flat angles P-C4'-P energy: -102.072 tors. eta vs tors. theta energy: -117.719 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: 8, replica: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1515.396396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.396396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.396396 (E_RNA) where: Base-Base interactions energy: -1016.292 where: short stacking energy: -437.906 Base-Backbone interact. energy: 1.958 local terms energy: -501.062548 where: bonds (distance) C4'-P energy: -97.383 bonds (distance) P-C4' energy: -119.133 flat angles C4'-P-C4' energy: -121.597 flat angles P-C4'-P energy: -65.590 tors. eta vs tors. theta energy: -97.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1442.551466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.551466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.551466 (E_RNA) where: Base-Base interactions energy: -946.111 where: short stacking energy: -400.994 Base-Backbone interact. energy: -1.767 local terms energy: -494.672593 where: bonds (distance) C4'-P energy: -107.512 bonds (distance) P-C4' energy: -95.942 flat angles C4'-P-C4' energy: -105.009 flat angles P-C4'-P energy: -85.865 tors. eta vs tors. theta energy: -100.344 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: 135 Temperature: 1.350000 Total energy: -960.293122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.293122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.293122 (E_RNA) where: Base-Base interactions energy: -563.932 where: short stacking energy: -259.493 Base-Backbone interact. energy: 0.773 local terms energy: -397.133938 where: bonds (distance) C4'-P energy: -120.498 bonds (distance) P-C4' energy: -101.602 flat angles C4'-P-C4' energy: -96.305 flat angles P-C4'-P energy: -69.666 tors. eta vs tors. theta energy: -9.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2575.877921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.877921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.877921 (E_RNA) where: Base-Base interactions energy: -1845.206 where: short stacking energy: -728.137 Base-Backbone interact. energy: -0.067 local terms energy: -730.604842 where: bonds (distance) C4'-P energy: -139.978 bonds (distance) P-C4' energy: -126.937 flat angles C4'-P-C4' energy: -150.971 flat angles P-C4'-P energy: -106.434 tors. eta vs tors. theta energy: -206.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2503.785747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.785747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.785747 (E_RNA) where: Base-Base interactions energy: -1768.355 where: short stacking energy: -691.906 Base-Backbone interact. energy: -1.025 local terms energy: -734.405739 where: bonds (distance) C4'-P energy: -128.404 bonds (distance) P-C4' energy: -136.196 flat angles C4'-P-C4' energy: -158.307 flat angles P-C4'-P energy: -96.261 tors. eta vs tors. theta energy: -215.238 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: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2370.920015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.920015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.920015 (E_RNA) where: Base-Base interactions energy: -1665.148 where: short stacking energy: -717.856 Base-Backbone interact. energy: -1.702 local terms energy: -704.069846 where: bonds (distance) C4'-P energy: -124.149 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -147.512 flat angles P-C4'-P energy: -97.563 tors. eta vs tors. theta energy: -200.736 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: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2259.283633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.283633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.283633 (E_RNA) where: Base-Base interactions energy: -1576.605 where: short stacking energy: -626.469 Base-Backbone interact. energy: -3.122 local terms energy: -679.556592 where: bonds (distance) C4'-P energy: -128.169 bonds (distance) P-C4' energy: -116.897 flat angles C4'-P-C4' energy: -147.861 flat angles P-C4'-P energy: -88.207 tors. eta vs tors. theta energy: -198.422 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: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2234.316000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.316000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.316000 (E_RNA) where: Base-Base interactions energy: -1555.671 where: short stacking energy: -630.010 Base-Backbone interact. energy: -0.470 local terms energy: -678.175230 where: bonds (distance) C4'-P energy: -124.337 bonds (distance) P-C4' energy: -115.552 flat angles C4'-P-C4' energy: -147.193 flat angles P-C4'-P energy: -98.452 tors. eta vs tors. theta energy: -192.641 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: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2068.752871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.752871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.752871 (E_RNA) where: Base-Base interactions energy: -1433.698 where: short stacking energy: -613.574 Base-Backbone interact. energy: -2.226 local terms energy: -632.828347 where: bonds (distance) C4'-P energy: -114.133 bonds (distance) P-C4' energy: -117.102 flat angles C4'-P-C4' energy: -141.331 flat angles P-C4'-P energy: -74.383 tors. eta vs tors. theta energy: -185.879 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: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1759.876904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.876904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.876904 (E_RNA) where: Base-Base interactions energy: -1178.801 where: short stacking energy: -504.136 Base-Backbone interact. energy: -1.724 local terms energy: -579.352095 where: bonds (distance) C4'-P energy: -112.295 bonds (distance) P-C4' energy: -116.002 flat angles C4'-P-C4' energy: -134.225 flat angles P-C4'-P energy: -80.781 tors. eta vs tors. theta energy: -136.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1550.871707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.871707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.871707 (E_RNA) where: Base-Base interactions energy: -1036.009 where: short stacking energy: -418.879 Base-Backbone interact. energy: 0.863 local terms energy: -515.725159 where: bonds (distance) C4'-P energy: -113.223 bonds (distance) P-C4' energy: -126.404 flat angles C4'-P-C4' energy: -115.541 flat angles P-C4'-P energy: -80.948 tors. eta vs tors. theta energy: -79.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1454.805483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.805483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.805483 (E_RNA) where: Base-Base interactions energy: -946.007 where: short stacking energy: -418.317 Base-Backbone interact. energy: -1.087 local terms energy: -507.711183 where: bonds (distance) C4'-P energy: -98.584 bonds (distance) P-C4' energy: -108.967 flat angles C4'-P-C4' energy: -124.599 flat angles P-C4'-P energy: -75.898 tors. eta vs tors. theta energy: -99.664 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: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -948.575645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.575645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.575645 (E_RNA) where: Base-Base interactions energy: -577.044 where: short stacking energy: -266.485 Base-Backbone interact. energy: -3.461 local terms energy: -368.070932 where: bonds (distance) C4'-P energy: -102.926 bonds (distance) P-C4' energy: -96.361 flat angles C4'-P-C4' energy: -97.433 flat angles P-C4'-P energy: -70.863 tors. eta vs tors. theta energy: -0.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2587.528461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.528461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.528461 (E_RNA) where: Base-Base interactions energy: -1845.986 where: short stacking energy: -739.228 Base-Backbone interact. energy: -3.118 local terms energy: -738.424411 where: bonds (distance) C4'-P energy: -128.082 bonds (distance) P-C4' energy: -139.774 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -101.030 tors. eta vs tors. theta energy: -213.699 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: 137 Temperature: 0.950000 Total energy: -2476.612038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.612038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.612038 (E_RNA) where: Base-Base interactions energy: -1751.804 where: short stacking energy: -731.831 Base-Backbone interact. energy: 2.484 local terms energy: -727.291970 where: bonds (distance) C4'-P energy: -125.287 bonds (distance) P-C4' energy: -124.852 flat angles C4'-P-C4' energy: -156.941 flat angles P-C4'-P energy: -100.769 tors. eta vs tors. theta energy: -219.444 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: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2362.201139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.201139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.201139 (E_RNA) where: Base-Base interactions energy: -1660.932 where: short stacking energy: -696.056 Base-Backbone interact. energy: 1.923 local terms energy: -703.192605 where: bonds (distance) C4'-P energy: -129.549 bonds (distance) P-C4' energy: -129.197 flat angles C4'-P-C4' energy: -147.321 flat angles P-C4'-P energy: -101.517 tors. eta vs tors. theta energy: -195.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2249.182146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.182146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.182146 (E_RNA) where: Base-Base interactions energy: -1572.961 where: short stacking energy: -643.962 Base-Backbone interact. energy: -0.984 local terms energy: -675.237711 where: bonds (distance) C4'-P energy: -120.600 bonds (distance) P-C4' energy: -136.478 flat angles C4'-P-C4' energy: -141.178 flat angles P-C4'-P energy: -96.629 tors. eta vs tors. theta energy: -180.353 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2206.025341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.025341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.025341 (E_RNA) where: Base-Base interactions energy: -1543.866 where: short stacking energy: -630.566 Base-Backbone interact. energy: 1.042 local terms energy: -663.201270 where: bonds (distance) C4'-P energy: -130.260 bonds (distance) P-C4' energy: -124.143 flat angles C4'-P-C4' energy: -137.457 flat angles P-C4'-P energy: -73.194 tors. eta vs tors. theta energy: -198.148 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: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2056.679531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.679531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.679531 (E_RNA) where: Base-Base interactions energy: -1427.862 where: short stacking energy: -597.577 Base-Backbone interact. energy: -2.562 local terms energy: -626.255304 where: bonds (distance) C4'-P energy: -111.463 bonds (distance) P-C4' energy: -111.940 flat angles C4'-P-C4' energy: -139.120 flat angles P-C4'-P energy: -94.581 tors. eta vs tors. theta energy: -169.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1756.380786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.380786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.380786 (E_RNA) where: Base-Base interactions energy: -1182.306 where: short stacking energy: -525.672 Base-Backbone interact. energy: -2.884 local terms energy: -571.190526 where: bonds (distance) C4'-P energy: -122.769 bonds (distance) P-C4' energy: -92.819 flat angles C4'-P-C4' energy: -131.467 flat angles P-C4'-P energy: -77.091 tors. eta vs tors. theta energy: -147.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1627.741433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.741433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.741433 (E_RNA) where: Base-Base interactions energy: -1091.286 where: short stacking energy: -479.437 Base-Backbone interact. energy: -1.641 local terms energy: -534.814759 where: bonds (distance) C4'-P energy: -112.975 bonds (distance) P-C4' energy: -118.748 flat angles C4'-P-C4' energy: -115.417 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: -121.139 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: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1440.066446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.066446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.066446 (E_RNA) where: Base-Base interactions energy: -965.724 where: short stacking energy: -440.851 Base-Backbone interact. energy: 5.353 local terms energy: -479.696072 where: bonds (distance) C4'-P energy: -80.952 bonds (distance) P-C4' energy: -121.415 flat angles C4'-P-C4' energy: -117.514 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -95.101 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: 137 Temperature: 1.350000 Total energy: -911.450247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.450247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.450247 (E_RNA) where: Base-Base interactions energy: -520.056 where: short stacking energy: -242.569 Base-Backbone interact. energy: 1.864 local terms energy: -393.258823 where: bonds (distance) C4'-P energy: -100.665 bonds (distance) P-C4' energy: -107.895 flat angles C4'-P-C4' energy: -115.362 flat angles P-C4'-P energy: -62.024 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2556.296545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.296545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.296545 (E_RNA) where: Base-Base interactions energy: -1823.111 where: short stacking energy: -724.978 Base-Backbone interact. energy: -2.678 local terms energy: -730.507436 where: bonds (distance) C4'-P energy: -122.533 bonds (distance) P-C4' energy: -140.349 flat angles C4'-P-C4' energy: -154.621 flat angles P-C4'-P energy: -105.854 tors. eta vs tors. theta energy: -207.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2511.153145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.153145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.153145 (E_RNA) where: Base-Base interactions energy: -1756.136 where: short stacking energy: -722.175 Base-Backbone interact. energy: -1.269 local terms energy: -753.748798 where: bonds (distance) C4'-P energy: -132.859 bonds (distance) P-C4' energy: -136.658 flat angles C4'-P-C4' energy: -155.263 flat angles P-C4'-P energy: -105.100 tors. eta vs tors. theta energy: -223.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2370.696717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.696717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.696717 (E_RNA) where: Base-Base interactions energy: -1640.555 where: short stacking energy: -698.953 Base-Backbone interact. energy: -1.498 local terms energy: -728.643881 where: bonds (distance) C4'-P energy: -131.966 bonds (distance) P-C4' energy: -137.584 flat angles C4'-P-C4' energy: -152.563 flat angles P-C4'-P energy: -102.800 tors. eta vs tors. theta energy: -203.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2266.423454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.423454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.423454 (E_RNA) where: Base-Base interactions energy: -1556.016 where: short stacking energy: -683.764 Base-Backbone interact. energy: -1.135 local terms energy: -709.272866 where: bonds (distance) C4'-P energy: -133.032 bonds (distance) P-C4' energy: -120.701 flat angles C4'-P-C4' energy: -153.803 flat angles P-C4'-P energy: -99.430 tors. eta vs tors. theta energy: -202.307 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: 138 Temperature: 1.100000 Total energy: -2183.893727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.893727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.893727 (E_RNA) where: Base-Base interactions energy: -1532.061 where: short stacking energy: -633.931 Base-Backbone interact. energy: -2.289 local terms energy: -649.543755 where: bonds (distance) C4'-P energy: -114.715 bonds (distance) P-C4' energy: -122.988 flat angles C4'-P-C4' energy: -137.717 flat angles P-C4'-P energy: -86.804 tors. eta vs tors. theta energy: -187.320 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: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2033.640157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.640157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.640157 (E_RNA) where: Base-Base interactions energy: -1409.651 where: short stacking energy: -592.458 Base-Backbone interact. energy: -0.562 local terms energy: -623.427154 where: bonds (distance) C4'-P energy: -106.584 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -142.895 flat angles P-C4'-P energy: -89.815 tors. eta vs tors. theta energy: -168.827 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: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1774.703617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.703617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.703617 (E_RNA) where: Base-Base interactions energy: -1227.224 where: short stacking energy: -561.267 Base-Backbone interact. energy: 5.981 local terms energy: -553.460551 where: bonds (distance) C4'-P energy: -93.968 bonds (distance) P-C4' energy: -113.093 flat angles C4'-P-C4' energy: -125.662 flat angles P-C4'-P energy: -77.776 tors. eta vs tors. theta energy: -142.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1676.750104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.750104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.750104 (E_RNA) where: Base-Base interactions energy: -1156.952 where: short stacking energy: -481.719 Base-Backbone interact. energy: -2.089 local terms energy: -517.709220 where: bonds (distance) C4'-P energy: -94.931 bonds (distance) P-C4' energy: -99.421 flat angles C4'-P-C4' energy: -114.427 flat angles P-C4'-P energy: -85.010 tors. eta vs tors. theta energy: -123.920 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: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1478.892220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.892220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.892220 (E_RNA) where: Base-Base interactions energy: -1008.011 where: short stacking energy: -441.839 Base-Backbone interact. energy: -0.290 local terms energy: -470.591220 where: bonds (distance) C4'-P energy: -91.701 bonds (distance) P-C4' energy: -85.803 flat angles C4'-P-C4' energy: -128.010 flat angles P-C4'-P energy: -71.165 tors. eta vs tors. theta energy: -93.912 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: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -824.551381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.551381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.551381 (E_RNA) where: Base-Base interactions energy: -465.208 where: short stacking energy: -207.856 Base-Backbone interact. energy: -4.856 local terms energy: -354.487169 where: bonds (distance) C4'-P energy: -93.921 bonds (distance) P-C4' energy: -118.632 flat angles C4'-P-C4' energy: -75.112 flat angles P-C4'-P energy: -69.881 tors. eta vs tors. theta energy: 3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2557.598572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.598572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.598572 (E_RNA) where: Base-Base interactions energy: -1794.216 where: short stacking energy: -712.370 Base-Backbone interact. energy: -4.100 local terms energy: -759.282066 where: bonds (distance) C4'-P energy: -140.746 bonds (distance) P-C4' energy: -155.890 flat angles C4'-P-C4' energy: -143.265 flat angles P-C4'-P energy: -103.733 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: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2528.713996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.713996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.713996 (E_RNA) where: Base-Base interactions energy: -1776.708 where: short stacking energy: -733.398 Base-Backbone interact. energy: -1.439 local terms energy: -750.566919 where: bonds (distance) C4'-P energy: -125.924 bonds (distance) P-C4' energy: -126.456 flat angles C4'-P-C4' energy: -160.988 flat angles P-C4'-P energy: -106.094 tors. eta vs tors. theta energy: -231.104 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: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2355.141071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.141071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.141071 (E_RNA) where: Base-Base interactions energy: -1635.288 where: short stacking energy: -696.178 Base-Backbone interact. energy: -2.689 local terms energy: -717.164299 where: bonds (distance) C4'-P energy: -127.638 bonds (distance) P-C4' energy: -127.330 flat angles C4'-P-C4' energy: -157.658 flat angles P-C4'-P energy: -105.533 tors. eta vs tors. theta energy: -199.004 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: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2242.083884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.083884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.083884 (E_RNA) where: Base-Base interactions energy: -1574.297 where: short stacking energy: -670.528 Base-Backbone interact. energy: -3.803 local terms energy: -663.983382 where: bonds (distance) C4'-P energy: -116.005 bonds (distance) P-C4' energy: -127.431 flat angles C4'-P-C4' energy: -133.418 flat angles P-C4'-P energy: -90.460 tors. eta vs tors. theta energy: -196.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2193.441857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.441857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.441857 (E_RNA) where: Base-Base interactions energy: -1565.400 where: short stacking energy: -667.260 Base-Backbone interact. energy: -2.336 local terms energy: -625.706425 where: bonds (distance) C4'-P energy: -96.441 bonds (distance) P-C4' energy: -114.342 flat angles C4'-P-C4' energy: -138.920 flat angles P-C4'-P energy: -80.250 tors. eta vs tors. theta energy: -195.752 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: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2060.356200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.356200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.356200 (E_RNA) where: Base-Base interactions energy: -1439.852 where: short stacking energy: -605.717 Base-Backbone interact. energy: -1.476 local terms energy: -619.028925 where: bonds (distance) C4'-P energy: -113.450 bonds (distance) P-C4' energy: -118.076 flat angles C4'-P-C4' energy: -134.719 flat angles P-C4'-P energy: -79.243 tors. eta vs tors. theta energy: -173.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1809.873692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.873692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.873692 (E_RNA) where: Base-Base interactions energy: -1224.410 where: short stacking energy: -534.580 Base-Backbone interact. energy: 3.020 local terms energy: -588.483976 where: bonds (distance) C4'-P energy: -106.208 bonds (distance) P-C4' energy: -123.583 flat angles C4'-P-C4' energy: -136.008 flat angles P-C4'-P energy: -81.890 tors. eta vs tors. theta energy: -140.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1678.657526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.657526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.657526 (E_RNA) where: Base-Base interactions energy: -1143.345 where: short stacking energy: -450.299 Base-Backbone interact. energy: -4.886 local terms energy: -530.426845 where: bonds (distance) C4'-P energy: -121.485 bonds (distance) P-C4' energy: -106.555 flat angles C4'-P-C4' energy: -105.998 flat angles P-C4'-P energy: -73.229 tors. eta vs tors. theta energy: -123.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1502.479433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.479433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.479433 (E_RNA) where: Base-Base interactions energy: -1000.440 where: short stacking energy: -436.932 Base-Backbone interact. energy: -1.533 local terms energy: -500.505880 where: bonds (distance) C4'-P energy: -112.119 bonds (distance) P-C4' energy: -112.895 flat angles C4'-P-C4' energy: -116.885 flat angles P-C4'-P energy: -58.487 tors. eta vs tors. theta energy: -100.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -817.323647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.323647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.323647 (E_RNA) where: Base-Base interactions energy: -442.937 where: short stacking energy: -225.197 Base-Backbone interact. energy: 2.315 local terms energy: -376.702421 where: bonds (distance) C4'-P energy: -97.453 bonds (distance) P-C4' energy: -125.329 flat angles C4'-P-C4' energy: -104.960 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2542.450157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.450157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.450157 (E_RNA) where: Base-Base interactions energy: -1772.597 where: short stacking energy: -723.565 Base-Backbone interact. energy: -4.020 local terms energy: -765.832786 where: bonds (distance) C4'-P energy: -140.550 bonds (distance) P-C4' energy: -136.594 flat angles C4'-P-C4' energy: -165.057 flat angles P-C4'-P energy: -108.513 tors. eta vs tors. theta energy: -215.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2524.216072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.216072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.216072 (E_RNA) where: Base-Base interactions energy: -1774.019 where: short stacking energy: -734.982 Base-Backbone interact. energy: -4.316 local terms energy: -745.880310 where: bonds (distance) C4'-P energy: -126.813 bonds (distance) P-C4' energy: -123.311 flat angles C4'-P-C4' energy: -161.098 flat angles P-C4'-P energy: -112.840 tors. eta vs tors. theta energy: -221.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2366.967015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.967015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.967015 (E_RNA) where: Base-Base interactions energy: -1657.384 where: short stacking energy: -701.080 Base-Backbone interact. energy: -3.553 local terms energy: -706.029728 where: bonds (distance) C4'-P energy: -145.094 bonds (distance) P-C4' energy: -110.134 flat angles C4'-P-C4' energy: -152.565 flat angles P-C4'-P energy: -92.644 tors. eta vs tors. theta energy: -205.592 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: 140 Temperature: 1.050000 Total energy: -2297.569531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.569531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.569531 (E_RNA) where: Base-Base interactions energy: -1600.846 where: short stacking energy: -669.191 Base-Backbone interact. energy: -4.368 local terms energy: -692.356298 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -131.870 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -88.487 tors. eta vs tors. theta energy: -208.086 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: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2163.862752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.862752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.862752 (E_RNA) where: Base-Base interactions energy: -1523.406 where: short stacking energy: -639.132 Base-Backbone interact. energy: 0.710 local terms energy: -641.166105 where: bonds (distance) C4'-P energy: -108.493 bonds (distance) P-C4' energy: -110.300 flat angles C4'-P-C4' energy: -135.202 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: -200.886 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: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2078.354183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.354183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.354183 (E_RNA) where: Base-Base interactions energy: -1454.016 where: short stacking energy: -612.772 Base-Backbone interact. energy: -2.402 local terms energy: -621.936476 where: bonds (distance) C4'-P energy: -108.356 bonds (distance) P-C4' energy: -102.419 flat angles C4'-P-C4' energy: -134.801 flat angles P-C4'-P energy: -102.484 tors. eta vs tors. theta energy: -173.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1824.360966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.360966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.360966 (E_RNA) where: Base-Base interactions energy: -1245.706 where: short stacking energy: -535.038 Base-Backbone interact. energy: -0.020 local terms energy: -578.635504 where: bonds (distance) C4'-P energy: -110.607 bonds (distance) P-C4' energy: -115.027 flat angles C4'-P-C4' energy: -126.110 flat angles P-C4'-P energy: -92.243 tors. eta vs tors. theta energy: -134.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1706.862785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.862785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.862785 (E_RNA) where: Base-Base interactions energy: -1184.195 where: short stacking energy: -489.588 Base-Backbone interact. energy: 0.667 local terms energy: -523.335343 where: bonds (distance) C4'-P energy: -93.747 bonds (distance) P-C4' energy: -116.100 flat angles C4'-P-C4' energy: -135.271 flat angles P-C4'-P energy: -63.197 tors. eta vs tors. theta energy: -115.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1462.930718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.930718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.930718 (E_RNA) where: Base-Base interactions energy: -926.050 where: short stacking energy: -412.104 Base-Backbone interact. energy: 0.369 local terms energy: -537.249799 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -120.577 flat angles C4'-P-C4' energy: -130.930 flat angles P-C4'-P energy: -76.803 tors. eta vs tors. theta energy: -97.258 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: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -845.738270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.738270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.738270 (E_RNA) where: Base-Base interactions energy: -448.218 where: short stacking energy: -185.262 Base-Backbone interact. energy: -4.772 local terms energy: -392.747942 where: bonds (distance) C4'-P energy: -113.258 bonds (distance) P-C4' energy: -106.342 flat angles C4'-P-C4' energy: -111.988 flat angles P-C4'-P energy: -61.194 tors. eta vs tors. theta energy: 0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2540.331805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.331805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.331805 (E_RNA) where: Base-Base interactions energy: -1774.747 where: short stacking energy: -724.959 Base-Backbone interact. energy: -1.898 local terms energy: -763.686695 where: bonds (distance) C4'-P energy: -148.887 bonds (distance) P-C4' energy: -137.693 flat angles C4'-P-C4' energy: -156.099 flat angles P-C4'-P energy: -98.626 tors. eta vs tors. theta energy: -222.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2529.543221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.543221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.543221 (E_RNA) where: Base-Base interactions energy: -1797.029 where: short stacking energy: -750.927 Base-Backbone interact. energy: -2.670 local terms energy: -729.844890 where: bonds (distance) C4'-P energy: -120.187 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -159.654 flat angles P-C4'-P energy: -100.519 tors. eta vs tors. theta energy: -216.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2328.368496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.368496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.368496 (E_RNA) where: Base-Base interactions energy: -1632.126 where: short stacking energy: -699.671 Base-Backbone interact. energy: -1.285 local terms energy: -694.957467 where: bonds (distance) C4'-P energy: -109.036 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -150.326 flat angles P-C4'-P energy: -99.814 tors. eta vs tors. theta energy: -202.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2284.123823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.123823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.123823 (E_RNA) where: Base-Base interactions energy: -1576.798 where: short stacking energy: -637.449 Base-Backbone interact. energy: -1.712 local terms energy: -705.614123 where: bonds (distance) C4'-P energy: -122.195 bonds (distance) P-C4' energy: -143.020 flat angles C4'-P-C4' energy: -155.064 flat angles P-C4'-P energy: -91.472 tors. eta vs tors. theta energy: -193.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2150.844159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.844159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.844159 (E_RNA) where: Base-Base interactions energy: -1495.396 where: short stacking energy: -635.356 Base-Backbone interact. energy: -1.714 local terms energy: -653.733683 where: bonds (distance) C4'-P energy: -125.723 bonds (distance) P-C4' energy: -107.652 flat angles C4'-P-C4' energy: -133.033 flat angles P-C4'-P energy: -101.415 tors. eta vs tors. theta energy: -185.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2125.506426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.506426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.506426 (E_RNA) where: Base-Base interactions energy: -1484.718 where: short stacking energy: -613.121 Base-Backbone interact. energy: -4.032 local terms energy: -636.756959 where: bonds (distance) C4'-P energy: -112.177 bonds (distance) P-C4' energy: -108.323 flat angles C4'-P-C4' energy: -148.095 flat angles P-C4'-P energy: -92.123 tors. eta vs tors. theta energy: -176.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1794.849376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.849376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.849376 (E_RNA) where: Base-Base interactions energy: -1199.136 where: short stacking energy: -522.844 Base-Backbone interact. energy: 3.498 local terms energy: -599.211341 where: bonds (distance) C4'-P energy: -101.521 bonds (distance) P-C4' energy: -132.334 flat angles C4'-P-C4' energy: -127.675 flat angles P-C4'-P energy: -87.279 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: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1702.114123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.114123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.114123 (E_RNA) where: Base-Base interactions energy: -1153.854 where: short stacking energy: -492.976 Base-Backbone interact. energy: -2.920 local terms energy: -545.339705 where: bonds (distance) C4'-P energy: -97.581 bonds (distance) P-C4' energy: -114.905 flat angles C4'-P-C4' energy: -117.583 flat angles P-C4'-P energy: -90.650 tors. eta vs tors. theta energy: -124.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1419.929079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.929079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.929079 (E_RNA) where: Base-Base interactions energy: -921.750 where: short stacking energy: -400.488 Base-Backbone interact. energy: -2.607 local terms energy: -495.572620 where: bonds (distance) C4'-P energy: -121.206 bonds (distance) P-C4' energy: -101.218 flat angles C4'-P-C4' energy: -109.949 flat angles P-C4'-P energy: -73.487 tors. eta vs tors. theta energy: -89.713 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: 141 Temperature: 1.350000 Total energy: -853.376621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.376621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.376621 (E_RNA) where: Base-Base interactions energy: -453.117 where: short stacking energy: -209.363 Base-Backbone interact. energy: 1.692 local terms energy: -401.951939 where: bonds (distance) C4'-P energy: -113.485 bonds (distance) P-C4' energy: -111.422 flat angles C4'-P-C4' energy: -106.264 flat angles P-C4'-P energy: -60.616 tors. eta vs tors. theta energy: -10.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2577.144677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.144677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.144677 (E_RNA) where: Base-Base interactions energy: -1831.346 where: short stacking energy: -738.363 Base-Backbone interact. energy: -2.645 local terms energy: -743.153928 where: bonds (distance) C4'-P energy: -137.505 bonds (distance) P-C4' energy: -134.596 flat angles C4'-P-C4' energy: -155.826 flat angles P-C4'-P energy: -102.480 tors. eta vs tors. theta energy: -212.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2520.839879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.839879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.839879 (E_RNA) where: Base-Base interactions energy: -1769.404 where: short stacking energy: -740.924 Base-Backbone interact. energy: -2.569 local terms energy: -748.867347 where: bonds (distance) C4'-P energy: -131.960 bonds (distance) P-C4' energy: -133.300 flat angles C4'-P-C4' energy: -156.493 flat angles P-C4'-P energy: -97.534 tors. eta vs tors. theta energy: -229.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2331.464919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.464919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.464919 (E_RNA) where: Base-Base interactions energy: -1649.309 where: short stacking energy: -687.481 Base-Backbone interact. energy: -5.239 local terms energy: -676.916528 where: bonds (distance) C4'-P energy: -117.976 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -137.283 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -194.620 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: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2279.942882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.942882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.942882 (E_RNA) where: Base-Base interactions energy: -1592.636 where: short stacking energy: -687.682 Base-Backbone interact. energy: -0.958 local terms energy: -686.349133 where: bonds (distance) C4'-P energy: -131.414 bonds (distance) P-C4' energy: -112.590 flat angles C4'-P-C4' energy: -138.630 flat angles P-C4'-P energy: -103.580 tors. eta vs tors. theta energy: -200.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2108.710836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.710836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.710836 (E_RNA) where: Base-Base interactions energy: -1437.263 where: short stacking energy: -603.341 Base-Backbone interact. energy: 2.573 local terms energy: -674.021450 where: bonds (distance) C4'-P energy: -124.702 bonds (distance) P-C4' energy: -135.010 flat angles C4'-P-C4' energy: -136.042 flat angles P-C4'-P energy: -94.481 tors. eta vs tors. theta energy: -183.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2109.100167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.100167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.100167 (E_RNA) where: Base-Base interactions energy: -1478.511 where: short stacking energy: -613.826 Base-Backbone interact. energy: -1.378 local terms energy: -629.210612 where: bonds (distance) C4'-P energy: -118.034 bonds (distance) P-C4' energy: -98.347 flat angles C4'-P-C4' energy: -133.590 flat angles P-C4'-P energy: -102.099 tors. eta vs tors. theta energy: -177.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1874.025986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.025986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.025986 (E_RNA) where: Base-Base interactions energy: -1306.814 where: short stacking energy: -516.137 Base-Backbone interact. energy: -3.126 local terms energy: -564.085789 where: bonds (distance) C4'-P energy: -108.268 bonds (distance) P-C4' energy: -103.940 flat angles C4'-P-C4' energy: -138.640 flat angles P-C4'-P energy: -78.365 tors. eta vs tors. theta energy: -134.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1719.947510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.947510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.947510 (E_RNA) where: Base-Base interactions energy: -1165.251 where: short stacking energy: -488.229 Base-Backbone interact. energy: 1.737 local terms energy: -556.432883 where: bonds (distance) C4'-P energy: -111.338 bonds (distance) P-C4' energy: -115.873 flat angles C4'-P-C4' energy: -120.485 flat angles P-C4'-P energy: -91.190 tors. eta vs tors. theta energy: -117.547 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: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1437.240800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.240800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.240800 (E_RNA) where: Base-Base interactions energy: -962.166 where: short stacking energy: -415.854 Base-Backbone interact. energy: -0.576 local terms energy: -474.498575 where: bonds (distance) C4'-P energy: -84.775 bonds (distance) P-C4' energy: -106.462 flat angles C4'-P-C4' energy: -115.706 flat angles P-C4'-P energy: -74.254 tors. eta vs tors. theta energy: -93.302 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: 142 Temperature: 1.350000 Total energy: -836.103786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.103786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.103786 (E_RNA) where: Base-Base interactions energy: -453.194 where: short stacking energy: -220.136 Base-Backbone interact. energy: -2.434 local terms energy: -380.475695 where: bonds (distance) C4'-P energy: -124.114 bonds (distance) P-C4' energy: -119.483 flat angles C4'-P-C4' energy: -83.002 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2605.157668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.157668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.157668 (E_RNA) where: Base-Base interactions energy: -1880.325 where: short stacking energy: -740.445 Base-Backbone interact. energy: -3.247 local terms energy: -721.585997 where: bonds (distance) C4'-P energy: -135.318 bonds (distance) P-C4' energy: -127.679 flat angles C4'-P-C4' energy: -151.983 flat angles P-C4'-P energy: -96.147 tors. eta vs tors. theta energy: -210.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2509.290749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.290749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.290749 (E_RNA) where: Base-Base interactions energy: -1777.088 where: short stacking energy: -728.334 Base-Backbone interact. energy: 0.796 local terms energy: -732.998497 where: bonds (distance) C4'-P energy: -123.636 bonds (distance) P-C4' energy: -139.391 flat angles C4'-P-C4' energy: -148.462 flat angles P-C4'-P energy: -105.003 tors. eta vs tors. theta energy: -216.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2348.148445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.148445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.148445 (E_RNA) where: Base-Base interactions energy: -1655.636 where: short stacking energy: -698.533 Base-Backbone interact. energy: -1.175 local terms energy: -691.338048 where: bonds (distance) C4'-P energy: -127.746 bonds (distance) P-C4' energy: -130.782 flat angles C4'-P-C4' energy: -146.828 flat angles P-C4'-P energy: -94.947 tors. eta vs tors. theta energy: -191.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2290.005027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.005027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.005027 (E_RNA) where: Base-Base interactions energy: -1594.854 where: short stacking energy: -663.940 Base-Backbone interact. energy: 2.140 local terms energy: -697.291710 where: bonds (distance) C4'-P energy: -115.071 bonds (distance) P-C4' energy: -122.230 flat angles C4'-P-C4' energy: -152.394 flat angles P-C4'-P energy: -104.949 tors. eta vs tors. theta energy: -202.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2146.564810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.564810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.564810 (E_RNA) where: Base-Base interactions energy: -1486.646 where: short stacking energy: -626.620 Base-Backbone interact. energy: -3.865 local terms energy: -656.053244 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -118.230 flat angles C4'-P-C4' energy: -149.068 flat angles P-C4'-P energy: -89.889 tors. eta vs tors. theta energy: -183.148 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: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2114.006905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.006905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.006905 (E_RNA) where: Base-Base interactions energy: -1478.876 where: short stacking energy: -597.006 Base-Backbone interact. energy: -1.915 local terms energy: -633.216026 where: bonds (distance) C4'-P energy: -103.059 bonds (distance) P-C4' energy: -114.157 flat angles C4'-P-C4' energy: -136.387 flat angles P-C4'-P energy: -109.950 tors. eta vs tors. theta energy: -169.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1776.766715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.766715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.766715 (E_RNA) where: Base-Base interactions energy: -1224.677 where: short stacking energy: -485.361 Base-Backbone interact. energy: -1.929 local terms energy: -550.160275 where: bonds (distance) C4'-P energy: -106.996 bonds (distance) P-C4' energy: -113.490 flat angles C4'-P-C4' energy: -127.073 flat angles P-C4'-P energy: -81.328 tors. eta vs tors. theta energy: -121.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1697.220291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.220291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.220291 (E_RNA) where: Base-Base interactions energy: -1184.501 where: short stacking energy: -495.682 Base-Backbone interact. energy: 3.386 local terms energy: -516.105854 where: bonds (distance) C4'-P energy: -95.965 bonds (distance) P-C4' energy: -99.602 flat angles C4'-P-C4' energy: -130.524 flat angles P-C4'-P energy: -66.169 tors. eta vs tors. theta energy: -123.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1443.426118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.426118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.426118 (E_RNA) where: Base-Base interactions energy: -961.175 where: short stacking energy: -400.254 Base-Backbone interact. energy: 0.475 local terms energy: -482.726068 where: bonds (distance) C4'-P energy: -92.565 bonds (distance) P-C4' energy: -127.851 flat angles C4'-P-C4' energy: -122.460 flat angles P-C4'-P energy: -44.936 tors. eta vs tors. theta energy: -94.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -894.974784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.974784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.974784 (E_RNA) where: Base-Base interactions energy: -504.511 where: short stacking energy: -251.056 Base-Backbone interact. energy: -4.222 local terms energy: -386.241435 where: bonds (distance) C4'-P energy: -95.320 bonds (distance) P-C4' energy: -105.511 flat angles C4'-P-C4' energy: -104.770 flat angles P-C4'-P energy: -65.004 tors. eta vs tors. theta energy: -15.637 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: 6 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2604.620498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.620498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.620498 (E_RNA) where: Base-Base interactions energy: -1863.975 where: short stacking energy: -744.936 Base-Backbone interact. energy: -0.872 local terms energy: -739.773552 where: bonds (distance) C4'-P energy: -135.007 bonds (distance) P-C4' energy: -133.151 flat angles C4'-P-C4' energy: -149.446 flat angles P-C4'-P energy: -110.634 tors. eta vs tors. theta energy: -211.535 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: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2518.566690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.566690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.566690 (E_RNA) where: Base-Base interactions energy: -1759.038 where: short stacking energy: -723.897 Base-Backbone interact. energy: -0.517 local terms energy: -759.012043 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -138.052 flat angles C4'-P-C4' energy: -156.272 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -222.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2387.791466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.791466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.791466 (E_RNA) where: Base-Base interactions energy: -1684.152 where: short stacking energy: -711.887 Base-Backbone interact. energy: -3.272 local terms energy: -700.367334 where: bonds (distance) C4'-P energy: -121.507 bonds (distance) P-C4' energy: -125.290 flat angles C4'-P-C4' energy: -135.019 flat angles P-C4'-P energy: -103.585 tors. eta vs tors. theta energy: -214.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2258.513815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.513815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.513815 (E_RNA) where: Base-Base interactions energy: -1584.020 where: short stacking energy: -681.892 Base-Backbone interact. energy: 1.106 local terms energy: -675.600695 where: bonds (distance) C4'-P energy: -112.064 bonds (distance) P-C4' energy: -128.532 flat angles C4'-P-C4' energy: -148.835 flat angles P-C4'-P energy: -84.026 tors. eta vs tors. theta energy: -202.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2178.829143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.829143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.829143 (E_RNA) where: Base-Base interactions energy: -1526.332 where: short stacking energy: -633.114 Base-Backbone interact. energy: -0.551 local terms energy: -651.945948 where: bonds (distance) C4'-P energy: -114.009 bonds (distance) P-C4' energy: -121.430 flat angles C4'-P-C4' energy: -147.061 flat angles P-C4'-P energy: -85.635 tors. eta vs tors. theta energy: -183.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2059.247675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.247675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.247675 (E_RNA) where: Base-Base interactions energy: -1441.732 where: short stacking energy: -598.925 Base-Backbone interact. energy: -4.437 local terms energy: -613.078315 where: bonds (distance) C4'-P energy: -107.520 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -134.093 flat angles P-C4'-P energy: -76.874 tors. eta vs tors. theta energy: -178.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1814.531478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.531478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.531478 (E_RNA) where: Base-Base interactions energy: -1266.110 where: short stacking energy: -509.071 Base-Backbone interact. energy: 1.835 local terms energy: -550.255944 where: bonds (distance) C4'-P energy: -114.551 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -133.249 flat angles P-C4'-P energy: -75.054 tors. eta vs tors. theta energy: -107.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1750.468341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.468341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.468341 (E_RNA) where: Base-Base interactions energy: -1236.119 where: short stacking energy: -539.765 Base-Backbone interact. energy: -2.744 local terms energy: -511.605678 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -115.988 flat angles C4'-P-C4' energy: -116.466 flat angles P-C4'-P energy: -64.922 tors. eta vs tors. theta energy: -108.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1362.730785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.730785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.730785 (E_RNA) where: Base-Base interactions energy: -890.350 where: short stacking energy: -378.725 Base-Backbone interact. energy: -2.478 local terms energy: -469.903190 where: bonds (distance) C4'-P energy: -110.010 bonds (distance) P-C4' energy: -105.126 flat angles C4'-P-C4' energy: -110.979 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -76.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -836.296508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.296508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.296508 (E_RNA) where: Base-Base interactions energy: -477.683 where: short stacking energy: -234.594 Base-Backbone interact. energy: -2.817 local terms energy: -355.796444 where: bonds (distance) C4'-P energy: -115.378 bonds (distance) P-C4' energy: -100.929 flat angles C4'-P-C4' energy: -77.305 flat angles P-C4'-P energy: -61.669 tors. eta vs tors. theta energy: -0.515 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: 6 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2604.317803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.317803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.317803 (E_RNA) where: Base-Base interactions energy: -1839.678 where: short stacking energy: -743.424 Base-Backbone interact. energy: -3.110 local terms energy: -761.529813 where: bonds (distance) C4'-P energy: -134.872 bonds (distance) P-C4' energy: -148.802 flat angles C4'-P-C4' energy: -149.846 flat angles P-C4'-P energy: -111.644 tors. eta vs tors. theta energy: -216.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2505.516829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.516829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.516829 (E_RNA) where: Base-Base interactions energy: -1768.337 where: short stacking energy: -722.761 Base-Backbone interact. energy: -1.415 local terms energy: -735.764916 where: bonds (distance) C4'-P energy: -132.322 bonds (distance) P-C4' energy: -126.856 flat angles C4'-P-C4' energy: -154.124 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -221.798 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: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2388.279536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.279536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.279536 (E_RNA) where: Base-Base interactions energy: -1674.921 where: short stacking energy: -704.958 Base-Backbone interact. energy: 2.955 local terms energy: -716.313372 where: bonds (distance) C4'-P energy: -126.056 bonds (distance) P-C4' energy: -129.971 flat angles C4'-P-C4' energy: -148.717 flat angles P-C4'-P energy: -110.053 tors. eta vs tors. theta energy: -201.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2227.162081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.162081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.162081 (E_RNA) where: Base-Base interactions energy: -1554.637 where: short stacking energy: -637.912 Base-Backbone interact. energy: -1.562 local terms energy: -670.963186 where: bonds (distance) C4'-P energy: -122.786 bonds (distance) P-C4' energy: -122.371 flat angles C4'-P-C4' energy: -143.439 flat angles P-C4'-P energy: -94.050 tors. eta vs tors. theta energy: -188.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2193.100027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.100027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.100027 (E_RNA) where: Base-Base interactions energy: -1536.056 where: short stacking energy: -658.956 Base-Backbone interact. energy: -1.281 local terms energy: -655.762980 where: bonds (distance) C4'-P energy: -109.578 bonds (distance) P-C4' energy: -133.668 flat angles C4'-P-C4' energy: -137.603 flat angles P-C4'-P energy: -86.628 tors. eta vs tors. theta energy: -188.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1997.061325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.061325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.061325 (E_RNA) where: Base-Base interactions energy: -1385.101 where: short stacking energy: -590.086 Base-Backbone interact. energy: 0.901 local terms energy: -612.861371 where: bonds (distance) C4'-P energy: -112.249 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -140.376 flat angles P-C4'-P energy: -85.194 tors. eta vs tors. theta energy: -165.830 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: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1887.815866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.815866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.815866 (E_RNA) where: Base-Base interactions energy: -1301.665 where: short stacking energy: -508.695 Base-Backbone interact. energy: 0.145 local terms energy: -586.295415 where: bonds (distance) C4'-P energy: -119.095 bonds (distance) P-C4' energy: -112.205 flat angles C4'-P-C4' energy: -130.802 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -143.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1708.135412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.135412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.135412 (E_RNA) where: Base-Base interactions energy: -1182.196 where: short stacking energy: -508.996 Base-Backbone interact. energy: 3.310 local terms energy: -529.250195 where: bonds (distance) C4'-P energy: -94.226 bonds (distance) P-C4' energy: -103.653 flat angles C4'-P-C4' energy: -123.962 flat angles P-C4'-P energy: -93.192 tors. eta vs tors. theta energy: -114.218 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: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1361.951229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.951229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.951229 (E_RNA) where: Base-Base interactions energy: -896.901 where: short stacking energy: -408.387 Base-Backbone interact. energy: -1.048 local terms energy: -464.002799 where: bonds (distance) C4'-P energy: -113.039 bonds (distance) P-C4' energy: -101.351 flat angles C4'-P-C4' energy: -122.291 flat angles P-C4'-P energy: -39.846 tors. eta vs tors. theta energy: -87.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -834.212716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.212716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.212716 (E_RNA) where: Base-Base interactions energy: -474.457 where: short stacking energy: -231.848 Base-Backbone interact. energy: -0.548 local terms energy: -359.206880 where: bonds (distance) C4'-P energy: -89.699 bonds (distance) P-C4' energy: -101.357 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -9.127 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: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2588.343919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.343919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.343919 (E_RNA) where: Base-Base interactions energy: -1850.925 where: short stacking energy: -735.184 Base-Backbone interact. energy: -3.656 local terms energy: -733.763369 where: bonds (distance) C4'-P energy: -132.100 bonds (distance) P-C4' energy: -130.568 flat angles C4'-P-C4' energy: -147.397 flat angles P-C4'-P energy: -112.314 tors. eta vs tors. theta energy: -211.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2488.239747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.239747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.239747 (E_RNA) where: Base-Base interactions energy: -1740.025 where: short stacking energy: -702.140 Base-Backbone interact. energy: -0.150 local terms energy: -748.064487 where: bonds (distance) C4'-P energy: -121.882 bonds (distance) P-C4' energy: -135.617 flat angles C4'-P-C4' energy: -159.144 flat angles P-C4'-P energy: -109.034 tors. eta vs tors. theta energy: -222.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2399.771100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.771100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.771100 (E_RNA) where: Base-Base interactions energy: -1682.624 where: short stacking energy: -698.435 Base-Backbone interact. energy: -3.013 local terms energy: -714.134381 where: bonds (distance) C4'-P energy: -121.677 bonds (distance) P-C4' energy: -128.574 flat angles C4'-P-C4' energy: -160.502 flat angles P-C4'-P energy: -94.969 tors. eta vs tors. theta energy: -208.412 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: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2235.847630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.847630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.847630 (E_RNA) where: Base-Base interactions energy: -1573.725 where: short stacking energy: -649.156 Base-Backbone interact. energy: -2.337 local terms energy: -659.785237 where: bonds (distance) C4'-P energy: -122.362 bonds (distance) P-C4' energy: -127.897 flat angles C4'-P-C4' energy: -144.327 flat angles P-C4'-P energy: -83.817 tors. eta vs tors. theta energy: -181.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2168.270961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.270961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.270961 (E_RNA) where: Base-Base interactions energy: -1497.742 where: short stacking energy: -616.874 Base-Backbone interact. energy: -2.274 local terms energy: -668.255085 where: bonds (distance) C4'-P energy: -123.972 bonds (distance) P-C4' energy: -120.616 flat angles C4'-P-C4' energy: -149.283 flat angles P-C4'-P energy: -83.934 tors. eta vs tors. theta energy: -190.451 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: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1918.547105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.547105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.547105 (E_RNA) where: Base-Base interactions energy: -1318.798 where: short stacking energy: -568.743 Base-Backbone interact. energy: -0.416 local terms energy: -599.333152 where: bonds (distance) C4'-P energy: -113.035 bonds (distance) P-C4' energy: -110.618 flat angles C4'-P-C4' energy: -134.423 flat angles P-C4'-P energy: -78.079 tors. eta vs tors. theta energy: -163.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1932.113694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.113694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.113694 (E_RNA) where: Base-Base interactions energy: -1340.853 where: short stacking energy: -554.912 Base-Backbone interact. energy: 3.455 local terms energy: -594.715747 where: bonds (distance) C4'-P energy: -113.056 bonds (distance) P-C4' energy: -134.946 flat angles C4'-P-C4' energy: -117.031 flat angles P-C4'-P energy: -85.844 tors. eta vs tors. theta energy: -143.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1704.737129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.737129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.737129 (E_RNA) where: Base-Base interactions energy: -1165.499 where: short stacking energy: -518.942 Base-Backbone interact. energy: 0.971 local terms energy: -540.208485 where: bonds (distance) C4'-P energy: -100.788 bonds (distance) P-C4' energy: -108.665 flat angles C4'-P-C4' energy: -118.823 flat angles P-C4'-P energy: -72.580 tors. eta vs tors. theta energy: -139.353 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: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1318.541413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.541413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.541413 (E_RNA) where: Base-Base interactions energy: -828.187 where: short stacking energy: -368.336 Base-Backbone interact. energy: 5.255 local terms energy: -495.609338 where: bonds (distance) C4'-P energy: -107.637 bonds (distance) P-C4' energy: -121.171 flat angles C4'-P-C4' energy: -112.373 flat angles P-C4'-P energy: -77.818 tors. eta vs tors. theta energy: -76.611 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: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -903.371594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.371594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.371594 (E_RNA) where: Base-Base interactions energy: -494.927 where: short stacking energy: -252.109 Base-Backbone interact. energy: 1.931 local terms energy: -410.375241 where: bonds (distance) C4'-P energy: -95.356 bonds (distance) P-C4' energy: -121.563 flat angles C4'-P-C4' energy: -94.742 flat angles P-C4'-P energy: -70.203 tors. eta vs tors. theta energy: -28.511 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: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2593.034047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.034047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.034047 (E_RNA) where: Base-Base interactions energy: -1861.274 where: short stacking energy: -747.931 Base-Backbone interact. energy: 0.359 local terms energy: -732.118507 where: bonds (distance) C4'-P energy: -113.741 bonds (distance) P-C4' energy: -132.197 flat angles C4'-P-C4' energy: -165.032 flat angles P-C4'-P energy: -112.589 tors. eta vs tors. theta energy: -208.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2491.872538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.872538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.872538 (E_RNA) where: Base-Base interactions energy: -1772.530 where: short stacking energy: -736.399 Base-Backbone interact. energy: -0.220 local terms energy: -719.122709 where: bonds (distance) C4'-P energy: -133.517 bonds (distance) P-C4' energy: -120.361 flat angles C4'-P-C4' energy: -152.719 flat angles P-C4'-P energy: -96.907 tors. eta vs tors. theta energy: -215.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2396.722321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.722321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.722321 (E_RNA) where: Base-Base interactions energy: -1699.464 where: short stacking energy: -724.215 Base-Backbone interact. energy: -0.032 local terms energy: -697.225555 where: bonds (distance) C4'-P energy: -119.023 bonds (distance) P-C4' energy: -120.271 flat angles C4'-P-C4' energy: -150.236 flat angles P-C4'-P energy: -99.934 tors. eta vs tors. theta energy: -207.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2245.313256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.313256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.313256 (E_RNA) where: Base-Base interactions energy: -1554.892 where: short stacking energy: -645.052 Base-Backbone interact. energy: -1.996 local terms energy: -688.425037 where: bonds (distance) C4'-P energy: -120.723 bonds (distance) P-C4' energy: -138.786 flat angles C4'-P-C4' energy: -145.426 flat angles P-C4'-P energy: -89.563 tors. eta vs tors. theta energy: -193.927 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: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2148.748211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.748211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.748211 (E_RNA) where: Base-Base interactions energy: -1498.540 where: short stacking energy: -618.535 Base-Backbone interact. energy: -4.286 local terms energy: -645.921846 where: bonds (distance) C4'-P energy: -118.804 bonds (distance) P-C4' energy: -126.928 flat angles C4'-P-C4' energy: -134.190 flat angles P-C4'-P energy: -94.123 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: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1929.051454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.051454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.051454 (E_RNA) where: Base-Base interactions energy: -1330.053 where: short stacking energy: -568.860 Base-Backbone interact. energy: -3.242 local terms energy: -595.756039 where: bonds (distance) C4'-P energy: -101.652 bonds (distance) P-C4' energy: -110.029 flat angles C4'-P-C4' energy: -131.996 flat angles P-C4'-P energy: -96.348 tors. eta vs tors. theta energy: -155.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1923.385248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.385248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.385248 (E_RNA) where: Base-Base interactions energy: -1341.915 where: short stacking energy: -554.518 Base-Backbone interact. energy: 4.487 local terms energy: -585.956542 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -111.960 flat angles C4'-P-C4' energy: -123.627 flat angles P-C4'-P energy: -91.517 tors. eta vs tors. theta energy: -154.572 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: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1696.289812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.289812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.289812 (E_RNA) where: Base-Base interactions energy: -1196.764 where: short stacking energy: -511.718 Base-Backbone interact. energy: 2.446 local terms energy: -501.971953 where: bonds (distance) C4'-P energy: -108.190 bonds (distance) P-C4' energy: -88.625 flat angles C4'-P-C4' energy: -117.600 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -124.608 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: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1370.938641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.938641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.938641 (E_RNA) where: Base-Base interactions energy: -918.189 where: short stacking energy: -406.309 Base-Backbone interact. energy: -1.096 local terms energy: -451.654005 where: bonds (distance) C4'-P energy: -103.085 bonds (distance) P-C4' energy: -96.108 flat angles C4'-P-C4' energy: -115.685 flat angles P-C4'-P energy: -51.297 tors. eta vs tors. theta energy: -85.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -972.735397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.735397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.735397 (E_RNA) where: Base-Base interactions energy: -570.524 where: short stacking energy: -282.904 Base-Backbone interact. energy: 7.694 local terms energy: -409.905909 where: bonds (distance) C4'-P energy: -104.391 bonds (distance) P-C4' energy: -120.299 flat angles C4'-P-C4' energy: -101.891 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: -24.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2595.310599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.310599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.310599 (E_RNA) where: Base-Base interactions energy: -1862.627 where: short stacking energy: -732.599 Base-Backbone interact. energy: -1.685 local terms energy: -730.999156 where: bonds (distance) C4'-P energy: -130.520 bonds (distance) P-C4' energy: -134.620 flat angles C4'-P-C4' energy: -150.507 flat angles P-C4'-P energy: -107.982 tors. eta vs tors. theta energy: -207.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2487.639616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.639616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.639616 (E_RNA) where: Base-Base interactions energy: -1734.191 where: short stacking energy: -706.737 Base-Backbone interact. energy: 3.189 local terms energy: -756.637965 where: bonds (distance) C4'-P energy: -132.958 bonds (distance) P-C4' energy: -140.952 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -111.630 tors. eta vs tors. theta energy: -221.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2439.330414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.330414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.330414 (E_RNA) where: Base-Base interactions energy: -1713.237 where: short stacking energy: -711.994 Base-Backbone interact. energy: 0.204 local terms energy: -726.297895 where: bonds (distance) C4'-P energy: -138.080 bonds (distance) P-C4' energy: -124.811 flat angles C4'-P-C4' energy: -143.611 flat angles P-C4'-P energy: -109.077 tors. eta vs tors. theta energy: -210.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2281.630767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.630767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.630767 (E_RNA) where: Base-Base interactions energy: -1618.067 where: short stacking energy: -666.609 Base-Backbone interact. energy: -0.878 local terms energy: -662.685542 where: bonds (distance) C4'-P energy: -101.090 bonds (distance) P-C4' energy: -115.126 flat angles C4'-P-C4' energy: -145.346 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -204.279 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: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2132.076761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.076761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.076761 (E_RNA) where: Base-Base interactions energy: -1493.924 where: short stacking energy: -617.034 Base-Backbone interact. energy: -0.482 local terms energy: -637.670947 where: bonds (distance) C4'-P energy: -124.738 bonds (distance) P-C4' energy: -106.783 flat angles C4'-P-C4' energy: -119.040 flat angles P-C4'-P energy: -102.313 tors. eta vs tors. theta energy: -184.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1943.386145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.386145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.386145 (E_RNA) where: Base-Base interactions energy: -1325.583 where: short stacking energy: -590.139 Base-Backbone interact. energy: -2.487 local terms energy: -615.316213 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -114.362 flat angles C4'-P-C4' energy: -138.624 flat angles P-C4'-P energy: -84.043 tors. eta vs tors. theta energy: -162.198 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: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1923.114904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.114904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.114904 (E_RNA) where: Base-Base interactions energy: -1330.239 where: short stacking energy: -525.693 Base-Backbone interact. energy: -5.896 local terms energy: -586.979950 where: bonds (distance) C4'-P energy: -130.908 bonds (distance) P-C4' energy: -113.517 flat angles C4'-P-C4' energy: -122.371 flat angles P-C4'-P energy: -78.124 tors. eta vs tors. theta energy: -142.060 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: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1669.174223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.174223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.174223 (E_RNA) where: Base-Base interactions energy: -1124.406 where: short stacking energy: -489.401 Base-Backbone interact. energy: -2.300 local terms energy: -542.467927 where: bonds (distance) C4'-P energy: -101.933 bonds (distance) P-C4' energy: -105.066 flat angles C4'-P-C4' energy: -131.458 flat angles P-C4'-P energy: -74.613 tors. eta vs tors. theta energy: -129.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1356.596043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.596043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.596043 (E_RNA) where: Base-Base interactions energy: -901.090 where: short stacking energy: -371.095 Base-Backbone interact. energy: 2.330 local terms energy: -457.835442 where: bonds (distance) C4'-P energy: -125.240 bonds (distance) P-C4' energy: -106.567 flat angles C4'-P-C4' energy: -101.022 flat angles P-C4'-P energy: -61.246 tors. eta vs tors. theta energy: -63.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1015.972018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.972018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.972018 (E_RNA) where: Base-Base interactions energy: -590.980 where: short stacking energy: -294.094 Base-Backbone interact. energy: 1.616 local terms energy: -426.608098 where: bonds (distance) C4'-P energy: -118.205 bonds (distance) P-C4' energy: -103.623 flat angles C4'-P-C4' energy: -102.521 flat angles P-C4'-P energy: -74.007 tors. eta vs tors. theta energy: -28.252 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: 1, replica: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2609.906912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.906912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.906912 (E_RNA) where: Base-Base interactions energy: -1877.819 where: short stacking energy: -742.808 Base-Backbone interact. energy: -3.263 local terms energy: -728.825222 where: bonds (distance) C4'-P energy: -128.916 bonds (distance) P-C4' energy: -131.068 flat angles C4'-P-C4' energy: -144.277 flat angles P-C4'-P energy: -112.781 tors. eta vs tors. theta energy: -211.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2495.326549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.326549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.326549 (E_RNA) where: Base-Base interactions energy: -1771.925 where: short stacking energy: -728.670 Base-Backbone interact. energy: -2.451 local terms energy: -720.951174 where: bonds (distance) C4'-P energy: -118.558 bonds (distance) P-C4' energy: -132.044 flat angles C4'-P-C4' energy: -139.524 flat angles P-C4'-P energy: -105.665 tors. eta vs tors. theta energy: -225.161 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: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2400.508337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.508337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.508337 (E_RNA) where: Base-Base interactions energy: -1691.739 where: short stacking energy: -709.227 Base-Backbone interact. energy: -1.019 local terms energy: -707.750957 where: bonds (distance) C4'-P energy: -125.777 bonds (distance) P-C4' energy: -131.712 flat angles C4'-P-C4' energy: -150.738 flat angles P-C4'-P energy: -94.092 tors. eta vs tors. theta energy: -205.432 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: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2273.155653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.155653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.155653 (E_RNA) where: Base-Base interactions energy: -1592.075 where: short stacking energy: -649.106 Base-Backbone interact. energy: -2.820 local terms energy: -678.260187 where: bonds (distance) C4'-P energy: -105.171 bonds (distance) P-C4' energy: -122.876 flat angles C4'-P-C4' energy: -143.701 flat angles P-C4'-P energy: -100.461 tors. eta vs tors. theta energy: -206.052 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: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2076.988550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.988550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.988550 (E_RNA) where: Base-Base interactions energy: -1452.226 where: short stacking energy: -587.809 Base-Backbone interact. energy: -4.531 local terms energy: -620.232259 where: bonds (distance) C4'-P energy: -130.578 bonds (distance) P-C4' energy: -125.968 flat angles C4'-P-C4' energy: -123.581 flat angles P-C4'-P energy: -82.558 tors. eta vs tors. theta energy: -157.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1988.852414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.852414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.852414 (E_RNA) where: Base-Base interactions energy: -1374.276 where: short stacking energy: -588.205 Base-Backbone interact. energy: 3.987 local terms energy: -618.563195 where: bonds (distance) C4'-P energy: -116.341 bonds (distance) P-C4' energy: -119.891 flat angles C4'-P-C4' energy: -132.819 flat angles P-C4'-P energy: -84.036 tors. eta vs tors. theta energy: -165.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1881.954877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.954877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.954877 (E_RNA) where: Base-Base interactions energy: -1318.902 where: short stacking energy: -540.809 Base-Backbone interact. energy: -2.587 local terms energy: -560.465745 where: bonds (distance) C4'-P energy: -113.935 bonds (distance) P-C4' energy: -106.996 flat angles C4'-P-C4' energy: -116.117 flat angles P-C4'-P energy: -76.995 tors. eta vs tors. theta energy: -146.423 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: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1657.765377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.765377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.765377 (E_RNA) where: Base-Base interactions energy: -1113.823 where: short stacking energy: -482.023 Base-Backbone interact. energy: -1.368 local terms energy: -542.574698 where: bonds (distance) C4'-P energy: -100.853 bonds (distance) P-C4' energy: -125.731 flat angles C4'-P-C4' energy: -125.232 flat angles P-C4'-P energy: -77.001 tors. eta vs tors. theta energy: -113.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1395.084107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.084107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.084107 (E_RNA) where: Base-Base interactions energy: -893.793 where: short stacking energy: -401.491 Base-Backbone interact. energy: 1.163 local terms energy: -502.453423 where: bonds (distance) C4'-P energy: -94.594 bonds (distance) P-C4' energy: -107.773 flat angles C4'-P-C4' energy: -133.468 flat angles P-C4'-P energy: -71.120 tors. eta vs tors. theta energy: -95.498 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: 149 Temperature: 1.350000 Total energy: -936.725754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.725754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.725754 (E_RNA) where: Base-Base interactions energy: -539.627 where: short stacking energy: -259.038 Base-Backbone interact. energy: -1.866 local terms energy: -395.233345 where: bonds (distance) C4'-P energy: -97.765 bonds (distance) P-C4' energy: -105.119 flat angles C4'-P-C4' energy: -108.514 flat angles P-C4'-P energy: -41.147 tors. eta vs tors. theta energy: -42.688 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: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2618.342096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.342096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.342096 (E_RNA) where: Base-Base interactions energy: -1852.968 where: short stacking energy: -708.120 Base-Backbone interact. energy: -4.052 local terms energy: -761.321901 where: bonds (distance) C4'-P energy: -146.272 bonds (distance) P-C4' energy: -127.788 flat angles C4'-P-C4' energy: -164.395 flat angles P-C4'-P energy: -107.553 tors. eta vs tors. theta energy: -215.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2503.544869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.544869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.544869 (E_RNA) where: Base-Base interactions energy: -1750.574 where: short stacking energy: -719.697 Base-Backbone interact. energy: -3.279 local terms energy: -749.691954 where: bonds (distance) C4'-P energy: -132.206 bonds (distance) P-C4' energy: -127.430 flat angles C4'-P-C4' energy: -158.542 flat angles P-C4'-P energy: -103.608 tors. eta vs tors. theta energy: -227.906 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: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2398.843232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.843232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.843232 (E_RNA) where: Base-Base interactions energy: -1709.271 where: short stacking energy: -727.742 Base-Backbone interact. energy: -3.098 local terms energy: -686.473999 where: bonds (distance) C4'-P energy: -121.590 bonds (distance) P-C4' energy: -117.806 flat angles C4'-P-C4' energy: -149.338 flat angles P-C4'-P energy: -89.832 tors. eta vs tors. theta energy: -207.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2251.964449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.964449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.964449 (E_RNA) where: Base-Base interactions energy: -1594.153 where: short stacking energy: -658.710 Base-Backbone interact. energy: -1.247 local terms energy: -656.563983 where: bonds (distance) C4'-P energy: -110.520 bonds (distance) P-C4' energy: -117.604 flat angles C4'-P-C4' energy: -130.751 flat angles P-C4'-P energy: -101.310 tors. eta vs tors. theta energy: -196.379 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: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2082.285669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.285669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.285669 (E_RNA) where: Base-Base interactions energy: -1437.576 where: short stacking energy: -590.465 Base-Backbone interact. energy: 1.678 local terms energy: -646.387513 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -133.693 flat angles C4'-P-C4' energy: -148.883 flat angles P-C4'-P energy: -89.325 tors. eta vs tors. theta energy: -170.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1971.440057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.440057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.440057 (E_RNA) where: Base-Base interactions energy: -1325.759 where: short stacking energy: -575.586 Base-Backbone interact. energy: -0.338 local terms energy: -645.343535 where: bonds (distance) C4'-P energy: -130.506 bonds (distance) P-C4' energy: -119.122 flat angles C4'-P-C4' energy: -152.097 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: -162.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1876.272598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.272598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.272598 (E_RNA) where: Base-Base interactions energy: -1306.746 where: short stacking energy: -526.160 Base-Backbone interact. energy: -0.643 local terms energy: -568.883456 where: bonds (distance) C4'-P energy: -102.041 bonds (distance) P-C4' energy: -106.774 flat angles C4'-P-C4' energy: -134.146 flat angles P-C4'-P energy: -79.118 tors. eta vs tors. theta energy: -146.804 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: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1704.776724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.776724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.776724 (E_RNA) where: Base-Base interactions energy: -1140.657 where: short stacking energy: -488.126 Base-Backbone interact. energy: -1.022 local terms energy: -563.097495 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -112.543 flat angles C4'-P-C4' energy: -135.219 flat angles P-C4'-P energy: -74.666 tors. eta vs tors. theta energy: -121.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1417.955442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.955442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.955442 (E_RNA) where: Base-Base interactions energy: -927.301 where: short stacking energy: -407.997 Base-Backbone interact. energy: -0.651 local terms energy: -490.003137 where: bonds (distance) C4'-P energy: -116.911 bonds (distance) P-C4' energy: -112.043 flat angles C4'-P-C4' energy: -112.973 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -76.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -973.805521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.805521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.805521 (E_RNA) where: Base-Base interactions energy: -576.313 where: short stacking energy: -307.262 Base-Backbone interact. energy: -0.331 local terms energy: -397.161119 where: bonds (distance) C4'-P energy: -94.506 bonds (distance) P-C4' energy: -103.815 flat angles C4'-P-C4' energy: -107.063 flat angles P-C4'-P energy: -61.528 tors. eta vs tors. theta energy: -30.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2627.387963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.387963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.387963 (E_RNA) where: Base-Base interactions energy: -1867.381 where: short stacking energy: -742.388 Base-Backbone interact. energy: -4.642 local terms energy: -755.365364 where: bonds (distance) C4'-P energy: -113.896 bonds (distance) P-C4' energy: -142.001 flat angles C4'-P-C4' energy: -166.080 flat angles P-C4'-P energy: -119.408 tors. eta vs tors. theta energy: -213.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2482.741294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.741294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.741294 (E_RNA) where: Base-Base interactions energy: -1740.660 where: short stacking energy: -734.179 Base-Backbone interact. energy: -0.454 local terms energy: -741.628100 where: bonds (distance) C4'-P energy: -132.169 bonds (distance) P-C4' energy: -132.935 flat angles C4'-P-C4' energy: -153.273 flat angles P-C4'-P energy: -103.301 tors. eta vs tors. theta energy: -219.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2396.020749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.020749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.020749 (E_RNA) where: Base-Base interactions energy: -1697.635 where: short stacking energy: -693.570 Base-Backbone interact. energy: -3.525 local terms energy: -694.860571 where: bonds (distance) C4'-P energy: -120.497 bonds (distance) P-C4' energy: -122.027 flat angles C4'-P-C4' energy: -153.957 flat angles P-C4'-P energy: -93.444 tors. eta vs tors. theta energy: -204.936 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2276.734323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.734323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.734323 (E_RNA) where: Base-Base interactions energy: -1590.078 where: short stacking energy: -645.885 Base-Backbone interact. energy: -1.541 local terms energy: -685.114621 where: bonds (distance) C4'-P energy: -123.700 bonds (distance) P-C4' energy: -125.222 flat angles C4'-P-C4' energy: -140.620 flat angles P-C4'-P energy: -106.858 tors. eta vs tors. theta energy: -188.715 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: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2102.873043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.873043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.873043 (E_RNA) where: Base-Base interactions energy: -1457.030 where: short stacking energy: -607.418 Base-Backbone interact. energy: -0.151 local terms energy: -645.691353 where: bonds (distance) C4'-P energy: -126.448 bonds (distance) P-C4' energy: -117.525 flat angles C4'-P-C4' energy: -136.203 flat angles P-C4'-P energy: -103.862 tors. eta vs tors. theta energy: -161.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1927.977952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.977952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.977952 (E_RNA) where: Base-Base interactions energy: -1295.344 where: short stacking energy: -591.371 Base-Backbone interact. energy: -2.132 local terms energy: -630.502289 where: bonds (distance) C4'-P energy: -105.522 bonds (distance) P-C4' energy: -129.547 flat angles C4'-P-C4' energy: -139.786 flat angles P-C4'-P energy: -88.330 tors. eta vs tors. theta energy: -167.318 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: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1912.612348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.612348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.612348 (E_RNA) where: Base-Base interactions energy: -1328.323 where: short stacking energy: -569.079 Base-Backbone interact. energy: -3.448 local terms energy: -580.841740 where: bonds (distance) C4'-P energy: -111.742 bonds (distance) P-C4' energy: -109.743 flat angles C4'-P-C4' energy: -127.678 flat angles P-C4'-P energy: -72.787 tors. eta vs tors. theta energy: -158.893 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: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1640.456099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.456099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.456099 (E_RNA) where: Base-Base interactions energy: -1122.602 where: short stacking energy: -476.579 Base-Backbone interact. energy: -1.323 local terms energy: -516.530653 where: bonds (distance) C4'-P energy: -94.765 bonds (distance) P-C4' energy: -109.707 flat angles C4'-P-C4' energy: -125.805 flat angles P-C4'-P energy: -78.494 tors. eta vs tors. theta energy: -107.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1399.680943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.680943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.680943 (E_RNA) where: Base-Base interactions energy: -950.343 where: short stacking energy: -393.467 Base-Backbone interact. energy: 2.931 local terms energy: -452.268792 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -107.967 flat angles C4'-P-C4' energy: -110.966 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -75.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -955.927776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.927776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.927776 (E_RNA) where: Base-Base interactions energy: -543.446 where: short stacking energy: -244.851 Base-Backbone interact. energy: 6.609 local terms energy: -419.090563 where: bonds (distance) C4'-P energy: -121.553 bonds (distance) P-C4' energy: -111.527 flat angles C4'-P-C4' energy: -105.362 flat angles P-C4'-P energy: -64.237 tors. eta vs tors. theta energy: -16.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2616.437075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.437075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.437075 (E_RNA) where: Base-Base interactions energy: -1852.052 where: short stacking energy: -766.527 Base-Backbone interact. energy: -3.974 local terms energy: -760.410973 where: bonds (distance) C4'-P energy: -121.008 bonds (distance) P-C4' energy: -142.028 flat angles C4'-P-C4' energy: -166.335 flat angles P-C4'-P energy: -113.905 tors. eta vs tors. theta energy: -217.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2495.737555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.737555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.737555 (E_RNA) where: Base-Base interactions energy: -1757.372 where: short stacking energy: -736.532 Base-Backbone interact. energy: -2.219 local terms energy: -736.146179 where: bonds (distance) C4'-P energy: -112.182 bonds (distance) P-C4' energy: -134.704 flat angles C4'-P-C4' energy: -160.728 flat angles P-C4'-P energy: -94.196 tors. eta vs tors. theta energy: -234.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2411.676897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.676897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.676897 (E_RNA) where: Base-Base interactions energy: -1670.931 where: short stacking energy: -679.654 Base-Backbone interact. energy: -2.205 local terms energy: -738.540909 where: bonds (distance) C4'-P energy: -131.865 bonds (distance) P-C4' energy: -132.818 flat angles C4'-P-C4' energy: -159.238 flat angles P-C4'-P energy: -107.988 tors. eta vs tors. theta energy: -206.632 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: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2241.781346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.781346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.781346 (E_RNA) where: Base-Base interactions energy: -1546.115 where: short stacking energy: -640.992 Base-Backbone interact. energy: -0.700 local terms energy: -694.966180 where: bonds (distance) C4'-P energy: -129.261 bonds (distance) P-C4' energy: -133.167 flat angles C4'-P-C4' energy: -133.598 flat angles P-C4'-P energy: -100.203 tors. eta vs tors. theta energy: -198.737 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: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2167.120312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.120312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.120312 (E_RNA) where: Base-Base interactions energy: -1525.343 where: short stacking energy: -628.537 Base-Backbone interact. energy: -1.935 local terms energy: -639.842078 where: bonds (distance) C4'-P energy: -118.094 bonds (distance) P-C4' energy: -126.943 flat angles C4'-P-C4' energy: -130.621 flat angles P-C4'-P energy: -82.047 tors. eta vs tors. theta energy: -182.138 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: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1949.228762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.228762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.228762 (E_RNA) where: Base-Base interactions energy: -1341.891 where: short stacking energy: -589.814 Base-Backbone interact. energy: -2.587 local terms energy: -604.751122 where: bonds (distance) C4'-P energy: -118.416 bonds (distance) P-C4' energy: -102.210 flat angles C4'-P-C4' energy: -139.408 flat angles P-C4'-P energy: -88.734 tors. eta vs tors. theta energy: -155.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1872.279931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.279931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.279931 (E_RNA) where: Base-Base interactions energy: -1278.559 where: short stacking energy: -535.763 Base-Backbone interact. energy: 4.017 local terms energy: -597.738529 where: bonds (distance) C4'-P energy: -121.426 bonds (distance) P-C4' energy: -104.450 flat angles C4'-P-C4' energy: -144.190 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -141.869 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: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1698.217275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.217275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.217275 (E_RNA) where: Base-Base interactions energy: -1176.640 where: short stacking energy: -506.347 Base-Backbone interact. energy: -0.523 local terms energy: -521.054200 where: bonds (distance) C4'-P energy: -85.298 bonds (distance) P-C4' energy: -112.751 flat angles C4'-P-C4' energy: -122.098 flat angles P-C4'-P energy: -70.468 tors. eta vs tors. theta energy: -130.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1320.517850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.517850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.517850 (E_RNA) where: Base-Base interactions energy: -869.582 where: short stacking energy: -388.331 Base-Backbone interact. energy: 0.012 local terms energy: -450.947191 where: bonds (distance) C4'-P energy: -84.637 bonds (distance) P-C4' energy: -111.406 flat angles C4'-P-C4' energy: -101.630 flat angles P-C4'-P energy: -76.112 tors. eta vs tors. theta energy: -77.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -948.398311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.398311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.398311 (E_RNA) where: Base-Base interactions energy: -530.822 where: short stacking energy: -247.036 Base-Backbone interact. energy: -1.725 local terms energy: -415.851009 where: bonds (distance) C4'-P energy: -126.321 bonds (distance) P-C4' energy: -105.846 flat angles C4'-P-C4' energy: -115.485 flat angles P-C4'-P energy: -51.699 tors. eta vs tors. theta energy: -16.499 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: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2621.180484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.180484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.180484 (E_RNA) where: Base-Base interactions energy: -1868.840 where: short stacking energy: -759.027 Base-Backbone interact. energy: -1.941 local terms energy: -750.399828 where: bonds (distance) C4'-P energy: -137.887 bonds (distance) P-C4' energy: -136.847 flat angles C4'-P-C4' energy: -162.077 flat angles P-C4'-P energy: -98.253 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: 2, replica: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2535.051288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.051288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.051288 (E_RNA) where: Base-Base interactions energy: -1802.432 where: short stacking energy: -740.241 Base-Backbone interact. energy: -1.665 local terms energy: -730.954516 where: bonds (distance) C4'-P energy: -123.266 bonds (distance) P-C4' energy: -130.910 flat angles C4'-P-C4' energy: -147.471 flat angles P-C4'-P energy: -106.650 tors. eta vs tors. theta energy: -222.658 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: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2380.372555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.372555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.372555 (E_RNA) where: Base-Base interactions energy: -1681.794 where: short stacking energy: -710.326 Base-Backbone interact. energy: -3.628 local terms energy: -694.950380 where: bonds (distance) C4'-P energy: -106.334 bonds (distance) P-C4' energy: -134.210 flat angles C4'-P-C4' energy: -156.783 flat angles P-C4'-P energy: -92.583 tors. eta vs tors. theta energy: -205.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2320.531085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.531085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.531085 (E_RNA) where: Base-Base interactions energy: -1642.815 where: short stacking energy: -694.042 Base-Backbone interact. energy: -0.608 local terms energy: -677.107713 where: bonds (distance) C4'-P energy: -114.773 bonds (distance) P-C4' energy: -107.370 flat angles C4'-P-C4' energy: -147.020 flat angles P-C4'-P energy: -101.196 tors. eta vs tors. theta energy: -206.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2168.358325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.358325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.358325 (E_RNA) where: Base-Base interactions energy: -1508.308 where: short stacking energy: -630.740 Base-Backbone interact. energy: -3.261 local terms energy: -656.789444 where: bonds (distance) C4'-P energy: -115.765 bonds (distance) P-C4' energy: -128.220 flat angles C4'-P-C4' energy: -135.541 flat angles P-C4'-P energy: -97.082 tors. eta vs tors. theta energy: -180.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2020.409172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.409172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.409172 (E_RNA) where: Base-Base interactions energy: -1373.116 where: short stacking energy: -599.547 Base-Backbone interact. energy: -2.176 local terms energy: -645.117728 where: bonds (distance) C4'-P energy: -91.440 bonds (distance) P-C4' energy: -118.492 flat angles C4'-P-C4' energy: -154.896 flat angles P-C4'-P energy: -106.874 tors. eta vs tors. theta energy: -173.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1853.139129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.139129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.139129 (E_RNA) where: Base-Base interactions energy: -1262.343 where: short stacking energy: -543.745 Base-Backbone interact. energy: -1.324 local terms energy: -589.472394 where: bonds (distance) C4'-P energy: -118.487 bonds (distance) P-C4' energy: -115.740 flat angles C4'-P-C4' energy: -134.415 flat angles P-C4'-P energy: -78.883 tors. eta vs tors. theta energy: -141.947 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: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1699.281821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.281821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.281821 (E_RNA) where: Base-Base interactions energy: -1141.279 where: short stacking energy: -487.728 Base-Backbone interact. energy: -1.553 local terms energy: -556.449038 where: bonds (distance) C4'-P energy: -103.405 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -126.648 flat angles P-C4'-P energy: -75.037 tors. eta vs tors. theta energy: -122.930 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: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1344.012498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.012498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.012498 (E_RNA) where: Base-Base interactions energy: -859.716 where: short stacking energy: -377.147 Base-Backbone interact. energy: 0.514 local terms energy: -484.811151 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -107.838 flat angles C4'-P-C4' energy: -108.549 flat angles P-C4'-P energy: -80.110 tors. eta vs tors. theta energy: -73.044 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: 153 Temperature: 1.350000 Total energy: -953.285965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.285965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.285965 (E_RNA) where: Base-Base interactions energy: -590.081 where: short stacking energy: -284.513 Base-Backbone interact. energy: -3.119 local terms energy: -360.086092 where: bonds (distance) C4'-P energy: -114.780 bonds (distance) P-C4' energy: -115.356 flat angles C4'-P-C4' energy: -75.971 flat angles P-C4'-P energy: -48.037 tors. eta vs tors. theta energy: -5.943 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: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2625.779403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.779403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.779403 (E_RNA) where: Base-Base interactions energy: -1877.670 where: short stacking energy: -753.672 Base-Backbone interact. energy: -2.736 local terms energy: -745.374199 where: bonds (distance) C4'-P energy: -125.246 bonds (distance) P-C4' energy: -127.464 flat angles C4'-P-C4' energy: -150.719 flat angles P-C4'-P energy: -122.486 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: 2, replica: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2505.864061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.864061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.864061 (E_RNA) where: Base-Base interactions energy: -1777.085 where: short stacking energy: -746.304 Base-Backbone interact. energy: -1.122 local terms energy: -727.656554 where: bonds (distance) C4'-P energy: -146.199 bonds (distance) P-C4' energy: -108.779 flat angles C4'-P-C4' energy: -148.949 flat angles P-C4'-P energy: -92.910 tors. eta vs tors. theta energy: -230.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2383.696987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.696987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.696987 (E_RNA) where: Base-Base interactions energy: -1682.568 where: short stacking energy: -693.656 Base-Backbone interact. energy: -0.614 local terms energy: -700.514336 where: bonds (distance) C4'-P energy: -120.376 bonds (distance) P-C4' energy: -133.896 flat angles C4'-P-C4' energy: -138.056 flat angles P-C4'-P energy: -101.554 tors. eta vs tors. theta energy: -206.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2287.742357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.742357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.742357 (E_RNA) where: Base-Base interactions energy: -1601.824 where: short stacking energy: -683.405 Base-Backbone interact. energy: -4.343 local terms energy: -681.575104 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -135.012 flat angles C4'-P-C4' energy: -134.363 flat angles P-C4'-P energy: -96.430 tors. eta vs tors. theta energy: -199.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2114.211147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.211147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.211147 (E_RNA) where: Base-Base interactions energy: -1468.895 where: short stacking energy: -640.078 Base-Backbone interact. energy: -4.470 local terms energy: -640.845962 where: bonds (distance) C4'-P energy: -126.504 bonds (distance) P-C4' energy: -115.442 flat angles C4'-P-C4' energy: -138.894 flat angles P-C4'-P energy: -81.105 tors. eta vs tors. theta energy: -178.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2114.001265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.001265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.001265 (E_RNA) where: Base-Base interactions energy: -1462.528 where: short stacking energy: -613.424 Base-Backbone interact. energy: -3.567 local terms energy: -647.905683 where: bonds (distance) C4'-P energy: -105.184 bonds (distance) P-C4' energy: -122.147 flat angles C4'-P-C4' energy: -142.504 flat angles P-C4'-P energy: -103.309 tors. eta vs tors. theta energy: -174.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1901.085791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.085791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.085791 (E_RNA) where: Base-Base interactions energy: -1316.686 where: short stacking energy: -520.692 Base-Backbone interact. energy: 0.544 local terms energy: -584.943881 where: bonds (distance) C4'-P energy: -108.849 bonds (distance) P-C4' energy: -120.964 flat angles C4'-P-C4' energy: -123.885 flat angles P-C4'-P energy: -79.246 tors. eta vs tors. theta energy: -152.000 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: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1684.242302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.242302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.242302 (E_RNA) where: Base-Base interactions energy: -1129.373 where: short stacking energy: -467.657 Base-Backbone interact. energy: 1.116 local terms energy: -555.985515 where: bonds (distance) C4'-P energy: -101.527 bonds (distance) P-C4' energy: -128.302 flat angles C4'-P-C4' energy: -116.098 flat angles P-C4'-P energy: -87.794 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: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1369.887246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.887246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.887246 (E_RNA) where: Base-Base interactions energy: -882.383 where: short stacking energy: -401.222 Base-Backbone interact. energy: -4.226 local terms energy: -483.278623 where: bonds (distance) C4'-P energy: -104.563 bonds (distance) P-C4' energy: -100.174 flat angles C4'-P-C4' energy: -127.744 flat angles P-C4'-P energy: -74.559 tors. eta vs tors. theta energy: -76.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -903.863016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.863016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.863016 (E_RNA) where: Base-Base interactions energy: -519.689 where: short stacking energy: -238.112 Base-Backbone interact. energy: 5.398 local terms energy: -389.572065 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -110.182 flat angles C4'-P-C4' energy: -96.797 flat angles P-C4'-P energy: -84.958 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2595.695092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.695092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.695092 (E_RNA) where: Base-Base interactions energy: -1867.306 where: short stacking energy: -728.336 Base-Backbone interact. energy: -2.510 local terms energy: -725.879158 where: bonds (distance) C4'-P energy: -119.570 bonds (distance) P-C4' energy: -133.139 flat angles C4'-P-C4' energy: -154.953 flat angles P-C4'-P energy: -104.910 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: 2, replica: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2496.514712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.514712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.514712 (E_RNA) where: Base-Base interactions energy: -1769.038 where: short stacking energy: -744.534 Base-Backbone interact. energy: -0.366 local terms energy: -727.110750 where: bonds (distance) C4'-P energy: -113.491 bonds (distance) P-C4' energy: -109.982 flat angles C4'-P-C4' energy: -159.494 flat angles P-C4'-P energy: -115.650 tors. eta vs tors. theta energy: -228.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2396.701711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.701711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.701711 (E_RNA) where: Base-Base interactions energy: -1706.106 where: short stacking energy: -689.634 Base-Backbone interact. energy: -1.760 local terms energy: -688.836264 where: bonds (distance) C4'-P energy: -133.862 bonds (distance) P-C4' energy: -102.461 flat angles C4'-P-C4' energy: -153.977 flat angles P-C4'-P energy: -93.636 tors. eta vs tors. theta energy: -204.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2230.423905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.423905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.423905 (E_RNA) where: Base-Base interactions energy: -1565.672 where: short stacking energy: -669.359 Base-Backbone interact. energy: 1.450 local terms energy: -666.201856 where: bonds (distance) C4'-P energy: -127.038 bonds (distance) P-C4' energy: -127.909 flat angles C4'-P-C4' energy: -126.479 flat angles P-C4'-P energy: -98.898 tors. eta vs tors. theta energy: -185.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2100.340693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.340693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.340693 (E_RNA) where: Base-Base interactions energy: -1456.550 where: short stacking energy: -615.851 Base-Backbone interact. energy: -2.638 local terms energy: -641.152757 where: bonds (distance) C4'-P energy: -118.433 bonds (distance) P-C4' energy: -127.143 flat angles C4'-P-C4' energy: -139.555 flat angles P-C4'-P energy: -82.702 tors. eta vs tors. theta energy: -173.319 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: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2116.891864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.891864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.891864 (E_RNA) where: Base-Base interactions energy: -1471.416 where: short stacking energy: -621.559 Base-Backbone interact. energy: -3.117 local terms energy: -642.358773 where: bonds (distance) C4'-P energy: -123.102 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -146.201 flat angles P-C4'-P energy: -74.430 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: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2033.674622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.674622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.674622 (E_RNA) where: Base-Base interactions energy: -1434.034 where: short stacking energy: -574.768 Base-Backbone interact. energy: -0.257 local terms energy: -599.383134 where: bonds (distance) C4'-P energy: -107.958 bonds (distance) P-C4' energy: -123.804 flat angles C4'-P-C4' energy: -117.140 flat angles P-C4'-P energy: -92.844 tors. eta vs tors. theta energy: -157.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1738.394551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.394551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.394551 (E_RNA) where: Base-Base interactions energy: -1235.701 where: short stacking energy: -522.044 Base-Backbone interact. energy: -2.916 local terms energy: -499.777267 where: bonds (distance) C4'-P energy: -86.068 bonds (distance) P-C4' energy: -91.694 flat angles C4'-P-C4' energy: -115.321 flat angles P-C4'-P energy: -76.159 tors. eta vs tors. theta energy: -130.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1272.348771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.348771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.348771 (E_RNA) where: Base-Base interactions energy: -830.348 where: short stacking energy: -384.515 Base-Backbone interact. energy: 0.422 local terms energy: -442.422915 where: bonds (distance) C4'-P energy: -101.563 bonds (distance) P-C4' energy: -92.054 flat angles C4'-P-C4' energy: -111.230 flat angles P-C4'-P energy: -63.954 tors. eta vs tors. theta energy: -73.621 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: 155 Temperature: 1.350000 Total energy: -888.618939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.618939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.618939 (E_RNA) where: Base-Base interactions energy: -517.366 where: short stacking energy: -235.110 Base-Backbone interact. energy: 7.887 local terms energy: -379.139946 where: bonds (distance) C4'-P energy: -100.376 bonds (distance) P-C4' energy: -111.619 flat angles C4'-P-C4' energy: -84.508 flat angles P-C4'-P energy: -61.423 tors. eta vs tors. theta energy: -21.213 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: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2589.727664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.727664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.727664 (E_RNA) where: Base-Base interactions energy: -1867.928 where: short stacking energy: -734.986 Base-Backbone interact. energy: -5.564 local terms energy: -716.235485 where: bonds (distance) C4'-P energy: -119.131 bonds (distance) P-C4' energy: -123.161 flat angles C4'-P-C4' energy: -153.566 flat angles P-C4'-P energy: -107.399 tors. eta vs tors. theta energy: -212.978 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: 156 Temperature: 0.950000 Total energy: -2476.149511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.149511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.149511 (E_RNA) where: Base-Base interactions energy: -1721.564 where: short stacking energy: -718.053 Base-Backbone interact. energy: -3.819 local terms energy: -750.766246 where: bonds (distance) C4'-P energy: -133.471 bonds (distance) P-C4' energy: -129.288 flat angles C4'-P-C4' energy: -153.413 flat angles P-C4'-P energy: -111.248 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: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2380.349901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.349901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.349901 (E_RNA) where: Base-Base interactions energy: -1674.149 where: short stacking energy: -704.739 Base-Backbone interact. energy: -1.291 local terms energy: -704.910381 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -120.987 flat angles C4'-P-C4' energy: -149.901 flat angles P-C4'-P energy: -108.105 tors. eta vs tors. theta energy: -215.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2262.298259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.298259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.298259 (E_RNA) where: Base-Base interactions energy: -1614.624 where: short stacking energy: -669.488 Base-Backbone interact. energy: -1.117 local terms energy: -646.557613 where: bonds (distance) C4'-P energy: -114.817 bonds (distance) P-C4' energy: -121.764 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -196.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2167.723549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.723549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.723549 (E_RNA) where: Base-Base interactions energy: -1523.090 where: short stacking energy: -643.874 Base-Backbone interact. energy: -1.708 local terms energy: -642.925022 where: bonds (distance) C4'-P energy: -116.955 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -145.872 flat angles P-C4'-P energy: -94.129 tors. eta vs tors. theta energy: -181.491 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: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2028.514804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.514804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.514804 (E_RNA) where: Base-Base interactions energy: -1422.759 where: short stacking energy: -596.859 Base-Backbone interact. energy: -1.385 local terms energy: -604.370957 where: bonds (distance) C4'-P energy: -99.098 bonds (distance) P-C4' energy: -115.740 flat angles C4'-P-C4' energy: -133.308 flat angles P-C4'-P energy: -82.615 tors. eta vs tors. theta energy: -173.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2026.389247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.389247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.389247 (E_RNA) where: Base-Base interactions energy: -1429.065 where: short stacking energy: -587.669 Base-Backbone interact. energy: -3.225 local terms energy: -594.099211 where: bonds (distance) C4'-P energy: -96.671 bonds (distance) P-C4' energy: -91.941 flat angles C4'-P-C4' energy: -146.459 flat angles P-C4'-P energy: -83.285 tors. eta vs tors. theta energy: -175.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1769.150131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.150131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.150131 (E_RNA) where: Base-Base interactions energy: -1206.436 where: short stacking energy: -522.710 Base-Backbone interact. energy: -1.159 local terms energy: -561.555607 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -136.409 flat angles C4'-P-C4' energy: -116.157 flat angles P-C4'-P energy: -59.570 tors. eta vs tors. theta energy: -129.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1275.050176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.050176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.050176 (E_RNA) where: Base-Base interactions energy: -838.136 where: short stacking energy: -377.970 Base-Backbone interact. energy: 1.524 local terms energy: -438.437388 where: bonds (distance) C4'-P energy: -103.992 bonds (distance) P-C4' energy: -113.034 flat angles C4'-P-C4' energy: -100.650 flat angles P-C4'-P energy: -48.101 tors. eta vs tors. theta energy: -72.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -921.401276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.401276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.401276 (E_RNA) where: Base-Base interactions energy: -513.718 where: short stacking energy: -240.199 Base-Backbone interact. energy: -2.767 local terms energy: -404.916582 where: bonds (distance) C4'-P energy: -115.629 bonds (distance) P-C4' energy: -120.091 flat angles C4'-P-C4' energy: -88.756 flat angles P-C4'-P energy: -52.616 tors. eta vs tors. theta energy: -27.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2596.372658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.372658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.372658 (E_RNA) where: Base-Base interactions energy: -1861.684 where: short stacking energy: -721.835 Base-Backbone interact. energy: 1.130 local terms energy: -735.818250 where: bonds (distance) C4'-P energy: -144.819 bonds (distance) P-C4' energy: -137.369 flat angles C4'-P-C4' energy: -152.280 flat angles P-C4'-P energy: -94.099 tors. eta vs tors. theta energy: -207.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2486.567270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.567270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.567270 (E_RNA) where: Base-Base interactions energy: -1751.657 where: short stacking energy: -724.864 Base-Backbone interact. energy: -1.210 local terms energy: -733.699479 where: bonds (distance) C4'-P energy: -129.193 bonds (distance) P-C4' energy: -124.383 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -108.851 tors. eta vs tors. theta energy: -218.158 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: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2390.290129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.290129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.290129 (E_RNA) where: Base-Base interactions energy: -1687.752 where: short stacking energy: -706.698 Base-Backbone interact. energy: -2.311 local terms energy: -700.227883 where: bonds (distance) C4'-P energy: -115.389 bonds (distance) P-C4' energy: -134.755 flat angles C4'-P-C4' energy: -140.695 flat angles P-C4'-P energy: -108.742 tors. eta vs tors. theta energy: -200.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2302.569515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.569515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.569515 (E_RNA) where: Base-Base interactions energy: -1626.206 where: short stacking energy: -666.489 Base-Backbone interact. energy: -1.913 local terms energy: -674.450524 where: bonds (distance) C4'-P energy: -111.388 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -141.029 flat angles P-C4'-P energy: -106.571 tors. eta vs tors. theta energy: -195.898 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: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2181.258571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.258571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.258571 (E_RNA) where: Base-Base interactions energy: -1536.349 where: short stacking energy: -639.909 Base-Backbone interact. energy: 1.828 local terms energy: -646.737717 where: bonds (distance) C4'-P energy: -136.144 bonds (distance) P-C4' energy: -118.475 flat angles C4'-P-C4' energy: -129.334 flat angles P-C4'-P energy: -76.845 tors. eta vs tors. theta energy: -185.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2136.494199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.494199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.494199 (E_RNA) where: Base-Base interactions energy: -1493.604 where: short stacking energy: -606.181 Base-Backbone interact. energy: -2.262 local terms energy: -640.628010 where: bonds (distance) C4'-P energy: -114.402 bonds (distance) P-C4' energy: -111.649 flat angles C4'-P-C4' energy: -144.147 flat angles P-C4'-P energy: -99.866 tors. eta vs tors. theta energy: -170.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1882.701534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.701534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.701534 (E_RNA) where: Base-Base interactions energy: -1266.626 where: short stacking energy: -557.832 Base-Backbone interact. energy: -3.112 local terms energy: -612.963531 where: bonds (distance) C4'-P energy: -109.813 bonds (distance) P-C4' energy: -114.788 flat angles C4'-P-C4' energy: -144.152 flat angles P-C4'-P energy: -84.091 tors. eta vs tors. theta energy: -160.119 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: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1696.583883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.583883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.583883 (E_RNA) where: Base-Base interactions energy: -1159.734 where: short stacking energy: -494.284 Base-Backbone interact. energy: 0.098 local terms energy: -536.948583 where: bonds (distance) C4'-P energy: -105.395 bonds (distance) P-C4' energy: -99.275 flat angles C4'-P-C4' energy: -142.963 flat angles P-C4'-P energy: -68.151 tors. eta vs tors. theta energy: -121.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1354.271975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.271975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.271975 (E_RNA) where: Base-Base interactions energy: -872.337 where: short stacking energy: -379.894 Base-Backbone interact. energy: -0.539 local terms energy: -481.396148 where: bonds (distance) C4'-P energy: -91.379 bonds (distance) P-C4' energy: -128.497 flat angles C4'-P-C4' energy: -91.935 flat angles P-C4'-P energy: -83.789 tors. eta vs tors. theta energy: -85.796 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: 157 Temperature: 1.350000 Total energy: -917.502077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.502077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.502077 (E_RNA) where: Base-Base interactions energy: -524.633 where: short stacking energy: -242.703 Base-Backbone interact. energy: -3.775 local terms energy: -389.094918 where: bonds (distance) C4'-P energy: -106.813 bonds (distance) P-C4' energy: -114.639 flat angles C4'-P-C4' energy: -101.013 flat angles P-C4'-P energy: -50.582 tors. eta vs tors. theta energy: -16.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2597.423459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.423459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.423459 (E_RNA) where: Base-Base interactions energy: -1854.024 where: short stacking energy: -753.145 Base-Backbone interact. energy: -5.478 local terms energy: -737.921377 where: bonds (distance) C4'-P energy: -133.175 bonds (distance) P-C4' energy: -131.001 flat angles C4'-P-C4' energy: -147.024 flat angles P-C4'-P energy: -108.137 tors. eta vs tors. theta energy: -218.585 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: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2511.232750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.232750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.232750 (E_RNA) where: Base-Base interactions energy: -1775.760 where: short stacking energy: -726.361 Base-Backbone interact. energy: -1.901 local terms energy: -733.571883 where: bonds (distance) C4'-P energy: -121.584 bonds (distance) P-C4' energy: -146.568 flat angles C4'-P-C4' energy: -155.438 flat angles P-C4'-P energy: -97.184 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: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2380.832137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.832137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.832137 (E_RNA) where: Base-Base interactions energy: -1675.930 where: short stacking energy: -729.077 Base-Backbone interact. energy: -4.322 local terms energy: -700.580665 where: bonds (distance) C4'-P energy: -125.454 bonds (distance) P-C4' energy: -118.010 flat angles C4'-P-C4' energy: -146.714 flat angles P-C4'-P energy: -99.628 tors. eta vs tors. theta energy: -210.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2289.282864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.282864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.282864 (E_RNA) where: Base-Base interactions energy: -1595.799 where: short stacking energy: -681.424 Base-Backbone interact. energy: 1.660 local terms energy: -695.143608 where: bonds (distance) C4'-P energy: -131.853 bonds (distance) P-C4' energy: -112.910 flat angles C4'-P-C4' energy: -152.787 flat angles P-C4'-P energy: -96.142 tors. eta vs tors. theta energy: -201.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2190.335105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.335105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.335105 (E_RNA) where: Base-Base interactions energy: -1544.004 where: short stacking energy: -628.784 Base-Backbone interact. energy: -1.978 local terms energy: -644.352837 where: bonds (distance) C4'-P energy: -121.081 bonds (distance) P-C4' energy: -116.302 flat angles C4'-P-C4' energy: -134.633 flat angles P-C4'-P energy: -96.041 tors. eta vs tors. theta energy: -176.296 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: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2105.678844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.678844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.678844 (E_RNA) where: Base-Base interactions energy: -1503.567 where: short stacking energy: -604.052 Base-Backbone interact. energy: -0.311 local terms energy: -601.801359 where: bonds (distance) C4'-P energy: -114.697 bonds (distance) P-C4' energy: -103.017 flat angles C4'-P-C4' energy: -136.054 flat angles P-C4'-P energy: -80.327 tors. eta vs tors. theta energy: -167.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1894.033152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.033152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.033152 (E_RNA) where: Base-Base interactions energy: -1287.869 where: short stacking energy: -564.245 Base-Backbone interact. energy: -1.879 local terms energy: -604.285355 where: bonds (distance) C4'-P energy: -119.617 bonds (distance) P-C4' energy: -109.010 flat angles C4'-P-C4' energy: -127.437 flat angles P-C4'-P energy: -88.877 tors. eta vs tors. theta energy: -159.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1717.990290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.990290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.990290 (E_RNA) where: Base-Base interactions energy: -1204.054 where: short stacking energy: -493.585 Base-Backbone interact. energy: -1.958 local terms energy: -511.977626 where: bonds (distance) C4'-P energy: -95.467 bonds (distance) P-C4' energy: -93.915 flat angles C4'-P-C4' energy: -123.270 flat angles P-C4'-P energy: -86.939 tors. eta vs tors. theta energy: -112.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1333.744632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.744632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.744632 (E_RNA) where: Base-Base interactions energy: -877.122 where: short stacking energy: -390.358 Base-Backbone interact. energy: 6.485 local terms energy: -463.108599 where: bonds (distance) C4'-P energy: -100.487 bonds (distance) P-C4' energy: -109.964 flat angles C4'-P-C4' energy: -117.725 flat angles P-C4'-P energy: -59.192 tors. eta vs tors. theta energy: -75.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -908.875384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.875384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.875384 (E_RNA) where: Base-Base interactions energy: -524.443 where: short stacking energy: -267.308 Base-Backbone interact. energy: 0.888 local terms energy: -385.320839 where: bonds (distance) C4'-P energy: -105.982 bonds (distance) P-C4' energy: -101.200 flat angles C4'-P-C4' energy: -101.386 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: -25.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2610.921363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.921363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.921363 (E_RNA) where: Base-Base interactions energy: -1858.713 where: short stacking energy: -763.004 Base-Backbone interact. energy: -0.080 local terms energy: -752.128417 where: bonds (distance) C4'-P energy: -125.361 bonds (distance) P-C4' energy: -146.392 flat angles C4'-P-C4' energy: -153.050 flat angles P-C4'-P energy: -111.323 tors. eta vs tors. theta energy: -216.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2514.045195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.045195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.045195 (E_RNA) where: Base-Base interactions energy: -1761.328 where: short stacking energy: -721.871 Base-Backbone interact. energy: -1.708 local terms energy: -751.009281 where: bonds (distance) C4'-P energy: -122.134 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -158.008 flat angles P-C4'-P energy: -107.913 tors. eta vs tors. theta energy: -223.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2385.180742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.180742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.180742 (E_RNA) where: Base-Base interactions energy: -1653.755 where: short stacking energy: -700.886 Base-Backbone interact. energy: -2.804 local terms energy: -728.621464 where: bonds (distance) C4'-P energy: -134.749 bonds (distance) P-C4' energy: -124.154 flat angles C4'-P-C4' energy: -149.394 flat angles P-C4'-P energy: -100.089 tors. eta vs tors. theta energy: -220.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2273.805459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.805459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.805459 (E_RNA) where: Base-Base interactions energy: -1593.047 where: short stacking energy: -647.783 Base-Backbone interact. energy: 0.726 local terms energy: -681.484252 where: bonds (distance) C4'-P energy: -124.968 bonds (distance) P-C4' energy: -129.934 flat angles C4'-P-C4' energy: -142.210 flat angles P-C4'-P energy: -94.125 tors. eta vs tors. theta energy: -190.247 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: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2144.233865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.233865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.233865 (E_RNA) where: Base-Base interactions energy: -1500.483 where: short stacking energy: -621.783 Base-Backbone interact. energy: 0.835 local terms energy: -644.585236 where: bonds (distance) C4'-P energy: -111.272 bonds (distance) P-C4' energy: -126.775 flat angles C4'-P-C4' energy: -140.716 flat angles P-C4'-P energy: -93.529 tors. eta vs tors. theta energy: -172.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2142.077786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.077786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.077786 (E_RNA) where: Base-Base interactions energy: -1492.147 where: short stacking energy: -619.906 Base-Backbone interact. energy: 1.158 local terms energy: -651.089202 where: bonds (distance) C4'-P energy: -115.842 bonds (distance) P-C4' energy: -118.140 flat angles C4'-P-C4' energy: -132.776 flat angles P-C4'-P energy: -96.045 tors. eta vs tors. theta energy: -188.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1906.000929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.000929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.000929 (E_RNA) where: Base-Base interactions energy: -1316.744 where: short stacking energy: -582.592 Base-Backbone interact. energy: 2.558 local terms energy: -591.815305 where: bonds (distance) C4'-P energy: -105.858 bonds (distance) P-C4' energy: -110.340 flat angles C4'-P-C4' energy: -133.529 flat angles P-C4'-P energy: -70.190 tors. eta vs tors. theta energy: -171.899 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: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1664.001522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.001522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.001522 (E_RNA) where: Base-Base interactions energy: -1143.979 where: short stacking energy: -492.892 Base-Backbone interact. energy: -1.121 local terms energy: -518.900581 where: bonds (distance) C4'-P energy: -106.820 bonds (distance) P-C4' energy: -99.036 flat angles C4'-P-C4' energy: -111.943 flat angles P-C4'-P energy: -82.725 tors. eta vs tors. theta energy: -118.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1214.194442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.194442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.194442 (E_RNA) where: Base-Base interactions energy: -783.980 where: short stacking energy: -330.742 Base-Backbone interact. energy: 0.674 local terms energy: -430.889125 where: bonds (distance) C4'-P energy: -104.319 bonds (distance) P-C4' energy: -103.674 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -55.563 tors. eta vs tors. theta energy: -61.811 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: 159 Temperature: 1.350000 Total energy: -994.721184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.721184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.721184 (E_RNA) where: Base-Base interactions energy: -585.206 where: short stacking energy: -297.169 Base-Backbone interact. energy: 9.578 local terms energy: -419.092669 where: bonds (distance) C4'-P energy: -116.657 bonds (distance) P-C4' energy: -101.483 flat angles C4'-P-C4' energy: -99.412 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -25.428 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: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2607.165001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.165001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.165001 (E_RNA) where: Base-Base interactions energy: -1854.878 where: short stacking energy: -769.579 Base-Backbone interact. energy: -1.695 local terms energy: -750.591812 where: bonds (distance) C4'-P energy: -131.950 bonds (distance) P-C4' energy: -130.677 flat angles C4'-P-C4' energy: -157.924 flat angles P-C4'-P energy: -107.962 tors. eta vs tors. theta energy: -222.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2549.805690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.805690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.805690 (E_RNA) where: Base-Base interactions energy: -1784.825 where: short stacking energy: -730.925 Base-Backbone interact. energy: -0.625 local terms energy: -764.355669 where: bonds (distance) C4'-P energy: -129.876 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -159.653 flat angles P-C4'-P energy: -112.381 tors. eta vs tors. theta energy: -227.354 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: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2353.642966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.642966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.642966 (E_RNA) where: Base-Base interactions energy: -1656.371 where: short stacking energy: -689.199 Base-Backbone interact. energy: 0.190 local terms energy: -697.462108 where: bonds (distance) C4'-P energy: -122.372 bonds (distance) P-C4' energy: -131.569 flat angles C4'-P-C4' energy: -149.642 flat angles P-C4'-P energy: -104.623 tors. eta vs tors. theta energy: -189.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2283.477488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.477488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.477488 (E_RNA) where: Base-Base interactions energy: -1602.590 where: short stacking energy: -673.317 Base-Backbone interact. energy: -2.196 local terms energy: -678.691685 where: bonds (distance) C4'-P energy: -132.552 bonds (distance) P-C4' energy: -115.483 flat angles C4'-P-C4' energy: -149.370 flat angles P-C4'-P energy: -88.168 tors. eta vs tors. theta energy: -193.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2185.993827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.993827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.993827 (E_RNA) where: Base-Base interactions energy: -1542.528 where: short stacking energy: -630.273 Base-Backbone interact. energy: -2.628 local terms energy: -640.837878 where: bonds (distance) C4'-P energy: -120.266 bonds (distance) P-C4' energy: -123.493 flat angles C4'-P-C4' energy: -131.721 flat angles P-C4'-P energy: -94.955 tors. eta vs tors. theta energy: -170.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2129.694337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.694337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.694337 (E_RNA) where: Base-Base interactions energy: -1503.817 where: short stacking energy: -600.605 Base-Backbone interact. energy: -0.426 local terms energy: -625.451065 where: bonds (distance) C4'-P energy: -100.423 bonds (distance) P-C4' energy: -105.605 flat angles C4'-P-C4' energy: -139.221 flat angles P-C4'-P energy: -96.676 tors. eta vs tors. theta energy: -183.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1822.849289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.849289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.849289 (E_RNA) where: Base-Base interactions energy: -1238.807 where: short stacking energy: -526.077 Base-Backbone interact. energy: -3.228 local terms energy: -580.814110 where: bonds (distance) C4'-P energy: -104.640 bonds (distance) P-C4' energy: -130.227 flat angles C4'-P-C4' energy: -137.329 flat angles P-C4'-P energy: -63.664 tors. eta vs tors. theta energy: -144.954 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: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1673.925911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.925911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.925911 (E_RNA) where: Base-Base interactions energy: -1109.394 where: short stacking energy: -473.578 Base-Backbone interact. energy: -1.050 local terms energy: -563.481442 where: bonds (distance) C4'-P energy: -104.133 bonds (distance) P-C4' energy: -137.571 flat angles C4'-P-C4' energy: -125.412 flat angles P-C4'-P energy: -76.619 tors. eta vs tors. theta energy: -119.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1201.976913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.976913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.976913 (E_RNA) where: Base-Base interactions energy: -756.598 where: short stacking energy: -307.782 Base-Backbone interact. energy: 0.611 local terms energy: -445.989515 where: bonds (distance) C4'-P energy: -114.766 bonds (distance) P-C4' energy: -117.638 flat angles C4'-P-C4' energy: -106.267 flat angles P-C4'-P energy: -52.721 tors. eta vs tors. theta energy: -54.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -944.346055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.346055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.346055 (E_RNA) where: Base-Base interactions energy: -547.313 where: short stacking energy: -270.095 Base-Backbone interact. energy: 0.873 local terms energy: -397.906335 where: bonds (distance) C4'-P energy: -102.927 bonds (distance) P-C4' energy: -122.429 flat angles C4'-P-C4' energy: -93.194 flat angles P-C4'-P energy: -61.212 tors. eta vs tors. theta energy: -18.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2605.226109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.226109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.226109 (E_RNA) where: Base-Base interactions energy: -1852.846 where: short stacking energy: -736.996 Base-Backbone interact. energy: -0.051 local terms energy: -752.329236 where: bonds (distance) C4'-P energy: -134.271 bonds (distance) P-C4' energy: -133.619 flat angles C4'-P-C4' energy: -156.350 flat angles P-C4'-P energy: -112.333 tors. eta vs tors. theta energy: -215.756 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: 161 Temperature: 0.950000 Total energy: -2517.671239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.671239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.671239 (E_RNA) where: Base-Base interactions energy: -1754.723 where: short stacking energy: -726.464 Base-Backbone interact. energy: -2.796 local terms energy: -760.151731 where: bonds (distance) C4'-P energy: -132.335 bonds (distance) P-C4' energy: -130.499 flat angles C4'-P-C4' energy: -162.843 flat angles P-C4'-P energy: -103.817 tors. eta vs tors. theta energy: -230.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2370.698631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.698631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.698631 (E_RNA) where: Base-Base interactions energy: -1649.969 where: short stacking energy: -683.494 Base-Backbone interact. energy: 0.764 local terms energy: -721.493048 where: bonds (distance) C4'-P energy: -127.733 bonds (distance) P-C4' energy: -125.617 flat angles C4'-P-C4' energy: -159.688 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -198.941 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: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2277.008057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.008057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.008057 (E_RNA) where: Base-Base interactions energy: -1604.697 where: short stacking energy: -668.018 Base-Backbone interact. energy: 0.799 local terms energy: -673.109629 where: bonds (distance) C4'-P energy: -124.918 bonds (distance) P-C4' energy: -119.484 flat angles C4'-P-C4' energy: -140.635 flat angles P-C4'-P energy: -90.087 tors. eta vs tors. theta energy: -197.986 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: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2201.249976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.249976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.249976 (E_RNA) where: Base-Base interactions energy: -1539.982 where: short stacking energy: -632.657 Base-Backbone interact. energy: -1.117 local terms energy: -660.150232 where: bonds (distance) C4'-P energy: -118.523 bonds (distance) P-C4' energy: -117.247 flat angles C4'-P-C4' energy: -150.329 flat angles P-C4'-P energy: -88.053 tors. eta vs tors. theta energy: -185.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2138.972345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.972345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.972345 (E_RNA) where: Base-Base interactions energy: -1490.178 where: short stacking energy: -600.307 Base-Backbone interact. energy: -2.705 local terms energy: -646.089200 where: bonds (distance) C4'-P energy: -111.755 bonds (distance) P-C4' energy: -116.745 flat angles C4'-P-C4' energy: -152.918 flat angles P-C4'-P energy: -88.121 tors. eta vs tors. theta energy: -176.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1826.808626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.808626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.808626 (E_RNA) where: Base-Base interactions energy: -1254.770 where: short stacking energy: -530.853 Base-Backbone interact. energy: -1.523 local terms energy: -570.516204 where: bonds (distance) C4'-P energy: -103.187 bonds (distance) P-C4' energy: -126.188 flat angles C4'-P-C4' energy: -127.247 flat angles P-C4'-P energy: -62.740 tors. eta vs tors. theta energy: -151.154 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: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1643.507720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.507720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.507720 (E_RNA) where: Base-Base interactions energy: -1107.044 where: short stacking energy: -487.366 Base-Backbone interact. energy: 4.772 local terms energy: -541.235193 where: bonds (distance) C4'-P energy: -112.169 bonds (distance) P-C4' energy: -104.182 flat angles C4'-P-C4' energy: -129.718 flat angles P-C4'-P energy: -77.740 tors. eta vs tors. theta energy: -117.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1336.090351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.090351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.090351 (E_RNA) where: Base-Base interactions energy: -856.342 where: short stacking energy: -399.499 Base-Backbone interact. energy: 4.026 local terms energy: -483.774216 where: bonds (distance) C4'-P energy: -92.964 bonds (distance) P-C4' energy: -124.216 flat angles C4'-P-C4' energy: -116.842 flat angles P-C4'-P energy: -70.864 tors. eta vs tors. theta energy: -78.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -951.929160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.929160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.929160 (E_RNA) where: Base-Base interactions energy: -525.997 where: short stacking energy: -248.922 Base-Backbone interact. energy: -0.379 local terms energy: -425.553192 where: bonds (distance) C4'-P energy: -96.837 bonds (distance) P-C4' energy: -111.224 flat angles C4'-P-C4' energy: -115.241 flat angles P-C4'-P energy: -71.241 tors. eta vs tors. theta energy: -31.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2609.951660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.951660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.951660 (E_RNA) where: Base-Base interactions energy: -1852.296 where: short stacking energy: -764.540 Base-Backbone interact. energy: -5.068 local terms energy: -752.587920 where: bonds (distance) C4'-P energy: -127.944 bonds (distance) P-C4' energy: -132.859 flat angles C4'-P-C4' energy: -153.015 flat angles P-C4'-P energy: -114.119 tors. eta vs tors. theta energy: -224.650 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: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2503.123316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.123316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.123316 (E_RNA) where: Base-Base interactions energy: -1772.864 where: short stacking energy: -733.080 Base-Backbone interact. energy: -1.196 local terms energy: -729.064028 where: bonds (distance) C4'-P energy: -126.872 bonds (distance) P-C4' energy: -137.641 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -94.385 tors. eta vs tors. theta energy: -222.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2379.320515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.320515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.320515 (E_RNA) where: Base-Base interactions energy: -1687.821 where: short stacking energy: -699.214 Base-Backbone interact. energy: -0.411 local terms energy: -691.088778 where: bonds (distance) C4'-P energy: -134.999 bonds (distance) P-C4' energy: -120.197 flat angles C4'-P-C4' energy: -145.441 flat angles P-C4'-P energy: -94.404 tors. eta vs tors. theta energy: -196.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2305.480916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.480916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.480916 (E_RNA) where: Base-Base interactions energy: -1615.684 where: short stacking energy: -664.042 Base-Backbone interact. energy: -1.146 local terms energy: -688.650604 where: bonds (distance) C4'-P energy: -117.699 bonds (distance) P-C4' energy: -118.673 flat angles C4'-P-C4' energy: -152.719 flat angles P-C4'-P energy: -100.729 tors. eta vs tors. theta energy: -198.829 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: 9 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2142.489040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.489040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.489040 (E_RNA) where: Base-Base interactions energy: -1490.643 where: short stacking energy: -596.605 Base-Backbone interact. energy: -1.646 local terms energy: -650.199342 where: bonds (distance) C4'-P energy: -131.523 bonds (distance) P-C4' energy: -102.164 flat angles C4'-P-C4' energy: -146.652 flat angles P-C4'-P energy: -88.570 tors. eta vs tors. theta energy: -181.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2166.686777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.686777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.686777 (E_RNA) where: Base-Base interactions energy: -1507.840 where: short stacking energy: -641.280 Base-Backbone interact. energy: -2.998 local terms energy: -655.848301 where: bonds (distance) C4'-P energy: -119.088 bonds (distance) P-C4' energy: -110.050 flat angles C4'-P-C4' energy: -143.830 flat angles P-C4'-P energy: -99.242 tors. eta vs tors. theta energy: -183.639 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: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1859.975268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.975268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.975268 (E_RNA) where: Base-Base interactions energy: -1257.195 where: short stacking energy: -574.302 Base-Backbone interact. energy: -1.564 local terms energy: -601.216716 where: bonds (distance) C4'-P energy: -92.573 bonds (distance) P-C4' energy: -119.798 flat angles C4'-P-C4' energy: -126.262 flat angles P-C4'-P energy: -100.131 tors. eta vs tors. theta energy: -162.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1700.292002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.292002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.292002 (E_RNA) where: Base-Base interactions energy: -1146.614 where: short stacking energy: -490.836 Base-Backbone interact. energy: -2.160 local terms energy: -551.517422 where: bonds (distance) C4'-P energy: -114.960 bonds (distance) P-C4' energy: -117.952 flat angles C4'-P-C4' energy: -126.057 flat angles P-C4'-P energy: -71.517 tors. eta vs tors. theta energy: -121.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1253.854516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.854516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.854516 (E_RNA) where: Base-Base interactions energy: -831.442 where: short stacking energy: -378.965 Base-Backbone interact. energy: -4.835 local terms energy: -417.577622 where: bonds (distance) C4'-P energy: -96.120 bonds (distance) P-C4' energy: -96.780 flat angles C4'-P-C4' energy: -107.909 flat angles P-C4'-P energy: -53.232 tors. eta vs tors. theta energy: -63.537 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: 162 Temperature: 1.350000 Total energy: -946.108741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.108741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.108741 (E_RNA) where: Base-Base interactions energy: -510.782 where: short stacking energy: -265.445 Base-Backbone interact. energy: 0.647 local terms energy: -435.974311 where: bonds (distance) C4'-P energy: -118.337 bonds (distance) P-C4' energy: -103.498 flat angles C4'-P-C4' energy: -103.179 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -37.294 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: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2598.310891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.310891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.310891 (E_RNA) where: Base-Base interactions energy: -1846.487 where: short stacking energy: -754.047 Base-Backbone interact. energy: -3.161 local terms energy: -748.662759 where: bonds (distance) C4'-P energy: -136.488 bonds (distance) P-C4' energy: -129.802 flat angles C4'-P-C4' energy: -150.043 flat angles P-C4'-P energy: -108.385 tors. eta vs tors. theta energy: -223.946 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: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2524.541677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.541677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.541677 (E_RNA) where: Base-Base interactions energy: -1765.012 where: short stacking energy: -730.923 Base-Backbone interact. energy: -2.355 local terms energy: -757.174552 where: bonds (distance) C4'-P energy: -129.469 bonds (distance) P-C4' energy: -142.655 flat angles C4'-P-C4' energy: -154.305 flat angles P-C4'-P energy: -107.374 tors. eta vs tors. theta energy: -223.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2358.304619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.304619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.304619 (E_RNA) where: Base-Base interactions energy: -1680.109 where: short stacking energy: -704.699 Base-Backbone interact. energy: -1.974 local terms energy: -676.221358 where: bonds (distance) C4'-P energy: -99.775 bonds (distance) P-C4' energy: -133.778 flat angles C4'-P-C4' energy: -134.954 flat angles P-C4'-P energy: -108.333 tors. eta vs tors. theta energy: -199.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2309.863685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.863685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.863685 (E_RNA) where: Base-Base interactions energy: -1652.333 where: short stacking energy: -689.676 Base-Backbone interact. energy: -2.043 local terms energy: -655.487517 where: bonds (distance) C4'-P energy: -90.934 bonds (distance) P-C4' energy: -114.393 flat angles C4'-P-C4' energy: -145.979 flat angles P-C4'-P energy: -94.805 tors. eta vs tors. theta energy: -209.376 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: 163 Temperature: 1.100000 Total energy: -2203.789709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.789709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.789709 (E_RNA) where: Base-Base interactions energy: -1543.585 where: short stacking energy: -621.803 Base-Backbone interact. energy: -2.410 local terms energy: -657.794582 where: bonds (distance) C4'-P energy: -102.542 bonds (distance) P-C4' energy: -122.840 flat angles C4'-P-C4' energy: -138.280 flat angles P-C4'-P energy: -96.073 tors. eta vs tors. theta energy: -198.059 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: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2195.625715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.625715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.625715 (E_RNA) where: Base-Base interactions energy: -1538.555 where: short stacking energy: -632.259 Base-Backbone interact. energy: -2.094 local terms energy: -654.976655 where: bonds (distance) C4'-P energy: -113.160 bonds (distance) P-C4' energy: -118.647 flat angles C4'-P-C4' energy: -129.816 flat angles P-C4'-P energy: -101.823 tors. eta vs tors. theta energy: -191.531 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: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1855.443786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.443786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.443786 (E_RNA) where: Base-Base interactions energy: -1263.234 where: short stacking energy: -526.067 Base-Backbone interact. energy: 2.403 local terms energy: -594.613394 where: bonds (distance) C4'-P energy: -118.357 bonds (distance) P-C4' energy: -126.120 flat angles C4'-P-C4' energy: -121.394 flat angles P-C4'-P energy: -85.986 tors. eta vs tors. theta energy: -142.756 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: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1709.903450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.903450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.903450 (E_RNA) where: Base-Base interactions energy: -1195.216 where: short stacking energy: -518.584 Base-Backbone interact. energy: -1.998 local terms energy: -512.689222 where: bonds (distance) C4'-P energy: -84.254 bonds (distance) P-C4' energy: -113.706 flat angles C4'-P-C4' energy: -125.167 flat angles P-C4'-P energy: -68.636 tors. eta vs tors. theta energy: -120.926 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: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1187.948905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.948905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.948905 (E_RNA) where: Base-Base interactions energy: -736.568 where: short stacking energy: -341.089 Base-Backbone interact. energy: 0.086 local terms energy: -451.467553 where: bonds (distance) C4'-P energy: -106.792 bonds (distance) P-C4' energy: -112.839 flat angles C4'-P-C4' energy: -109.673 flat angles P-C4'-P energy: -56.050 tors. eta vs tors. theta energy: -66.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1003.459470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.459470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.459470 (E_RNA) where: Base-Base interactions energy: -573.425 where: short stacking energy: -278.049 Base-Backbone interact. energy: -3.893 local terms energy: -426.140824 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -112.277 flat angles C4'-P-C4' energy: -101.905 flat angles P-C4'-P energy: -72.281 tors. eta vs tors. theta energy: -42.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2585.774298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.774298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.774298 (E_RNA) where: Base-Base interactions energy: -1806.186 where: short stacking energy: -741.374 Base-Backbone interact. energy: 0.128 local terms energy: -779.715487 where: bonds (distance) C4'-P energy: -140.011 bonds (distance) P-C4' energy: -133.921 flat angles C4'-P-C4' energy: -162.934 flat angles P-C4'-P energy: -114.888 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: 2, replica: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2541.984980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.984980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.984980 (E_RNA) where: Base-Base interactions energy: -1817.356 where: short stacking energy: -717.301 Base-Backbone interact. energy: -2.021 local terms energy: -722.607848 where: bonds (distance) C4'-P energy: -114.766 bonds (distance) P-C4' energy: -136.478 flat angles C4'-P-C4' energy: -154.574 flat angles P-C4'-P energy: -99.147 tors. eta vs tors. theta energy: -217.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2393.047630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.047630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.047630 (E_RNA) where: Base-Base interactions energy: -1717.047 where: short stacking energy: -689.121 Base-Backbone interact. energy: 5.000 local terms energy: -681.000622 where: bonds (distance) C4'-P energy: -134.512 bonds (distance) P-C4' energy: -119.988 flat angles C4'-P-C4' energy: -151.703 flat angles P-C4'-P energy: -91.507 tors. eta vs tors. theta energy: -183.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2287.999253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.999253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.999253 (E_RNA) where: Base-Base interactions energy: -1578.463 where: short stacking energy: -671.125 Base-Backbone interact. energy: -1.036 local terms energy: -708.500562 where: bonds (distance) C4'-P energy: -128.589 bonds (distance) P-C4' energy: -121.597 flat angles C4'-P-C4' energy: -154.265 flat angles P-C4'-P energy: -100.536 tors. eta vs tors. theta energy: -203.513 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: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2213.287701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.287701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.287701 (E_RNA) where: Base-Base interactions energy: -1525.758 where: short stacking energy: -616.910 Base-Backbone interact. energy: -2.534 local terms energy: -684.996024 where: bonds (distance) C4'-P energy: -133.326 bonds (distance) P-C4' energy: -123.242 flat angles C4'-P-C4' energy: -136.286 flat angles P-C4'-P energy: -97.097 tors. eta vs tors. theta energy: -195.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2170.472993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.472993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.472993 (E_RNA) where: Base-Base interactions energy: -1531.138 where: short stacking energy: -648.251 Base-Backbone interact. energy: -3.211 local terms energy: -636.123774 where: bonds (distance) C4'-P energy: -121.599 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -140.449 flat angles P-C4'-P energy: -79.537 tors. eta vs tors. theta energy: -190.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1825.861779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.861779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.861779 (E_RNA) where: Base-Base interactions energy: -1252.749 where: short stacking energy: -524.221 Base-Backbone interact. energy: -3.968 local terms energy: -569.144564 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -94.595 flat angles C4'-P-C4' energy: -129.924 flat angles P-C4'-P energy: -85.510 tors. eta vs tors. theta energy: -147.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1723.589812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.589812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.589812 (E_RNA) where: Base-Base interactions energy: -1179.907 where: short stacking energy: -493.611 Base-Backbone interact. energy: 3.391 local terms energy: -547.073071 where: bonds (distance) C4'-P energy: -114.120 bonds (distance) P-C4' energy: -116.700 flat angles C4'-P-C4' energy: -118.126 flat angles P-C4'-P energy: -83.393 tors. eta vs tors. theta energy: -114.734 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: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1109.041641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.041641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.041641 (E_RNA) where: Base-Base interactions energy: -658.133 where: short stacking energy: -311.630 Base-Backbone interact. energy: -0.537 local terms energy: -450.372115 where: bonds (distance) C4'-P energy: -104.355 bonds (distance) P-C4' energy: -123.805 flat angles C4'-P-C4' energy: -110.902 flat angles P-C4'-P energy: -59.715 tors. eta vs tors. theta energy: -51.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -985.967958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.967958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.967958 (E_RNA) where: Base-Base interactions energy: -581.592 where: short stacking energy: -269.902 Base-Backbone interact. energy: 7.594 local terms energy: -411.969332 where: bonds (distance) C4'-P energy: -108.610 bonds (distance) P-C4' energy: -113.131 flat angles C4'-P-C4' energy: -96.550 flat angles P-C4'-P energy: -80.947 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2580.875024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.875024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.875024 (E_RNA) where: Base-Base interactions energy: -1824.435 where: short stacking energy: -766.160 Base-Backbone interact. energy: 2.323 local terms energy: -758.762885 where: bonds (distance) C4'-P energy: -128.861 bonds (distance) P-C4' energy: -133.862 flat angles C4'-P-C4' energy: -155.036 flat angles P-C4'-P energy: -113.238 tors. eta vs tors. theta energy: -227.766 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: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2548.939928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.939928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.939928 (E_RNA) where: Base-Base interactions energy: -1806.340 where: short stacking energy: -746.355 Base-Backbone interact. energy: -7.927 local terms energy: -734.672870 where: bonds (distance) C4'-P energy: -115.114 bonds (distance) P-C4' energy: -154.572 flat angles C4'-P-C4' energy: -143.933 flat angles P-C4'-P energy: -103.509 tors. eta vs tors. theta energy: -217.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2366.482313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.482313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.482313 (E_RNA) where: Base-Base interactions energy: -1653.048 where: short stacking energy: -679.923 Base-Backbone interact. energy: 1.084 local terms energy: -714.518109 where: bonds (distance) C4'-P energy: -136.877 bonds (distance) P-C4' energy: -129.533 flat angles C4'-P-C4' energy: -150.198 flat angles P-C4'-P energy: -97.463 tors. eta vs tors. theta energy: -200.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2282.489967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.489967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.489967 (E_RNA) where: Base-Base interactions energy: -1593.768 where: short stacking energy: -676.263 Base-Backbone interact. energy: -1.501 local terms energy: -687.221238 where: bonds (distance) C4'-P energy: -119.033 bonds (distance) P-C4' energy: -120.998 flat angles C4'-P-C4' energy: -153.716 flat angles P-C4'-P energy: -102.924 tors. eta vs tors. theta energy: -190.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2147.377444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.377444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.377444 (E_RNA) where: Base-Base interactions energy: -1525.674 where: short stacking energy: -643.151 Base-Backbone interact. energy: -3.448 local terms energy: -618.255721 where: bonds (distance) C4'-P energy: -101.154 bonds (distance) P-C4' energy: -113.884 flat angles C4'-P-C4' energy: -133.054 flat angles P-C4'-P energy: -86.094 tors. eta vs tors. theta energy: -184.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2226.383213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.383213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.383213 (E_RNA) where: Base-Base interactions energy: -1586.354 where: short stacking energy: -675.152 Base-Backbone interact. energy: 3.770 local terms energy: -643.799644 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -106.073 flat angles C4'-P-C4' energy: -140.904 flat angles P-C4'-P energy: -86.628 tors. eta vs tors. theta energy: -197.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1837.768044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.768044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.768044 (E_RNA) where: Base-Base interactions energy: -1274.109 where: short stacking energy: -557.959 Base-Backbone interact. energy: -2.031 local terms energy: -561.628272 where: bonds (distance) C4'-P energy: -100.313 bonds (distance) P-C4' energy: -95.090 flat angles C4'-P-C4' energy: -127.120 flat angles P-C4'-P energy: -80.462 tors. eta vs tors. theta energy: -158.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1732.386166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.386166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.386166 (E_RNA) where: Base-Base interactions energy: -1181.817 where: short stacking energy: -485.234 Base-Backbone interact. energy: -1.358 local terms energy: -549.211470 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -114.160 flat angles C4'-P-C4' energy: -132.293 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -124.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1050.440940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.440940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.440940 (E_RNA) where: Base-Base interactions energy: -627.756 where: short stacking energy: -316.068 Base-Backbone interact. energy: -1.930 local terms energy: -420.755129 where: bonds (distance) C4'-P energy: -80.966 bonds (distance) P-C4' energy: -112.654 flat angles C4'-P-C4' energy: -110.165 flat angles P-C4'-P energy: -75.064 tors. eta vs tors. theta energy: -41.906 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: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1015.501103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.501103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.501103 (E_RNA) where: Base-Base interactions energy: -621.234 where: short stacking energy: -288.323 Base-Backbone interact. energy: 1.629 local terms energy: -395.896444 where: bonds (distance) C4'-P energy: -107.278 bonds (distance) P-C4' energy: -92.509 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -56.710 tors. eta vs tors. theta energy: -47.182 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: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2562.213899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.213899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.213899 (E_RNA) where: Base-Base interactions energy: -1786.875 where: short stacking energy: -741.830 Base-Backbone interact. energy: -2.076 local terms energy: -773.262491 where: bonds (distance) C4'-P energy: -142.887 bonds (distance) P-C4' energy: -136.425 flat angles C4'-P-C4' energy: -163.273 flat angles P-C4'-P energy: -102.833 tors. eta vs tors. theta energy: -227.844 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: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2524.901652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.901652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.901652 (E_RNA) where: Base-Base interactions energy: -1777.761 where: short stacking energy: -726.936 Base-Backbone interact. energy: -5.223 local terms energy: -741.917552 where: bonds (distance) C4'-P energy: -129.689 bonds (distance) P-C4' energy: -137.280 flat angles C4'-P-C4' energy: -143.429 flat angles P-C4'-P energy: -113.966 tors. eta vs tors. theta energy: -217.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2380.252036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.252036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.252036 (E_RNA) where: Base-Base interactions energy: -1681.944 where: short stacking energy: -685.041 Base-Backbone interact. energy: -3.499 local terms energy: -694.808395 where: bonds (distance) C4'-P energy: -117.908 bonds (distance) P-C4' energy: -134.465 flat angles C4'-P-C4' energy: -144.818 flat angles P-C4'-P energy: -98.242 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2258.193796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.193796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.193796 (E_RNA) where: Base-Base interactions energy: -1570.509 where: short stacking energy: -662.006 Base-Backbone interact. energy: 1.006 local terms energy: -688.691059 where: bonds (distance) C4'-P energy: -125.896 bonds (distance) P-C4' energy: -119.840 flat angles C4'-P-C4' energy: -145.806 flat angles P-C4'-P energy: -96.272 tors. eta vs tors. theta energy: -200.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2284.027023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.027023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.027023 (E_RNA) where: Base-Base interactions energy: -1627.746 where: short stacking energy: -658.827 Base-Backbone interact. energy: 1.169 local terms energy: -657.450079 where: bonds (distance) C4'-P energy: -120.247 bonds (distance) P-C4' energy: -125.841 flat angles C4'-P-C4' energy: -143.876 flat angles P-C4'-P energy: -78.108 tors. eta vs tors. theta energy: -189.377 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: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2101.590272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.590272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.590272 (E_RNA) where: Base-Base interactions energy: -1500.239 where: short stacking energy: -628.381 Base-Backbone interact. energy: 3.100 local terms energy: -604.451569 where: bonds (distance) C4'-P energy: -96.466 bonds (distance) P-C4' energy: -110.524 flat angles C4'-P-C4' energy: -124.885 flat angles P-C4'-P energy: -87.757 tors. eta vs tors. theta energy: -184.820 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: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1868.280865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.280865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.280865 (E_RNA) where: Base-Base interactions energy: -1234.774 where: short stacking energy: -519.726 Base-Backbone interact. energy: -1.392 local terms energy: -632.114443 where: bonds (distance) C4'-P energy: -119.376 bonds (distance) P-C4' energy: -130.012 flat angles C4'-P-C4' energy: -119.099 flat angles P-C4'-P energy: -96.890 tors. eta vs tors. theta energy: -166.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1729.929896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.929896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.929896 (E_RNA) where: Base-Base interactions energy: -1165.456 where: short stacking energy: -475.256 Base-Backbone interact. energy: -2.271 local terms energy: -562.202921 where: bonds (distance) C4'-P energy: -110.825 bonds (distance) P-C4' energy: -119.513 flat angles C4'-P-C4' energy: -126.120 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -128.333 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: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1042.050538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.050538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.050538 (E_RNA) where: Base-Base interactions energy: -585.617 where: short stacking energy: -300.367 Base-Backbone interact. energy: 3.427 local terms energy: -459.861278 where: bonds (distance) C4'-P energy: -117.319 bonds (distance) P-C4' energy: -122.654 flat angles C4'-P-C4' energy: -104.426 flat angles P-C4'-P energy: -82.031 tors. eta vs tors. theta energy: -33.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1026.268217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.268217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.268217 (E_RNA) where: Base-Base interactions energy: -618.222 where: short stacking energy: -271.123 Base-Backbone interact. energy: -6.869 local terms energy: -401.177429 where: bonds (distance) C4'-P energy: -115.090 bonds (distance) P-C4' energy: -106.383 flat angles C4'-P-C4' energy: -92.096 flat angles P-C4'-P energy: -57.945 tors. eta vs tors. theta energy: -29.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2566.399975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.399975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.399975 (E_RNA) where: Base-Base interactions energy: -1817.291 where: short stacking energy: -735.159 Base-Backbone interact. energy: -2.280 local terms energy: -746.829466 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -127.179 flat angles C4'-P-C4' energy: -159.985 flat angles P-C4'-P energy: -106.266 tors. eta vs tors. theta energy: -228.752 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: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2512.518554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.518554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.518554 (E_RNA) where: Base-Base interactions energy: -1790.613 where: short stacking energy: -718.110 Base-Backbone interact. energy: 1.533 local terms energy: -723.438891 where: bonds (distance) C4'-P energy: -127.560 bonds (distance) P-C4' energy: -126.466 flat angles C4'-P-C4' energy: -160.733 flat angles P-C4'-P energy: -104.952 tors. eta vs tors. theta energy: -203.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2375.093547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.093547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.093547 (E_RNA) where: Base-Base interactions energy: -1647.739 where: short stacking energy: -683.962 Base-Backbone interact. energy: -3.040 local terms energy: -724.313793 where: bonds (distance) C4'-P energy: -138.879 bonds (distance) P-C4' energy: -126.487 flat angles C4'-P-C4' energy: -148.481 flat angles P-C4'-P energy: -102.745 tors. eta vs tors. theta energy: -207.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2281.659817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.659817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.659817 (E_RNA) where: Base-Base interactions energy: -1612.031 where: short stacking energy: -661.331 Base-Backbone interact. energy: 0.435 local terms energy: -670.064390 where: bonds (distance) C4'-P energy: -121.008 bonds (distance) P-C4' energy: -117.457 flat angles C4'-P-C4' energy: -139.466 flat angles P-C4'-P energy: -103.740 tors. eta vs tors. theta energy: -188.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2282.046156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.046156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.046156 (E_RNA) where: Base-Base interactions energy: -1617.729 where: short stacking energy: -684.696 Base-Backbone interact. energy: -3.292 local terms energy: -661.024609 where: bonds (distance) C4'-P energy: -131.560 bonds (distance) P-C4' energy: -103.782 flat angles C4'-P-C4' energy: -136.622 flat angles P-C4'-P energy: -96.005 tors. eta vs tors. theta energy: -193.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2049.420458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.420458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.420458 (E_RNA) where: Base-Base interactions energy: -1452.649 where: short stacking energy: -591.555 Base-Backbone interact. energy: 0.551 local terms energy: -597.322788 where: bonds (distance) C4'-P energy: -101.454 bonds (distance) P-C4' energy: -111.018 flat angles C4'-P-C4' energy: -132.846 flat angles P-C4'-P energy: -87.807 tors. eta vs tors. theta energy: -164.198 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: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1802.418991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.418991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.418991 (E_RNA) where: Base-Base interactions energy: -1227.008 where: short stacking energy: -547.591 Base-Backbone interact. energy: -2.885 local terms energy: -572.526330 where: bonds (distance) C4'-P energy: -121.716 bonds (distance) P-C4' energy: -113.499 flat angles C4'-P-C4' energy: -116.202 flat angles P-C4'-P energy: -75.139 tors. eta vs tors. theta energy: -145.970 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: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1656.844561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.844561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.844561 (E_RNA) where: Base-Base interactions energy: -1129.170 where: short stacking energy: -458.500 Base-Backbone interact. energy: -1.385 local terms energy: -526.289403 where: bonds (distance) C4'-P energy: -84.353 bonds (distance) P-C4' energy: -121.144 flat angles C4'-P-C4' energy: -134.586 flat angles P-C4'-P energy: -73.312 tors. eta vs tors. theta energy: -112.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1026.732475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.732475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.732475 (E_RNA) where: Base-Base interactions energy: -604.031 where: short stacking energy: -287.817 Base-Backbone interact. energy: 3.528 local terms energy: -426.228783 where: bonds (distance) C4'-P energy: -108.216 bonds (distance) P-C4' energy: -114.274 flat angles C4'-P-C4' energy: -115.081 flat angles P-C4'-P energy: -55.102 tors. eta vs tors. theta energy: -33.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1028.875496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.875496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.875496 (E_RNA) where: Base-Base interactions energy: -619.461 where: short stacking energy: -280.434 Base-Backbone interact. energy: 3.625 local terms energy: -413.039835 where: bonds (distance) C4'-P energy: -115.116 bonds (distance) P-C4' energy: -117.191 flat angles C4'-P-C4' energy: -86.370 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -42.122 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: 168 Temperature: 0.900000 Total energy: -2563.664865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.664865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.664865 (E_RNA) where: Base-Base interactions energy: -1786.047 where: short stacking energy: -743.578 Base-Backbone interact. energy: 0.008 local terms energy: -777.625912 where: bonds (distance) C4'-P energy: -130.844 bonds (distance) P-C4' energy: -137.404 flat angles C4'-P-C4' energy: -169.934 flat angles P-C4'-P energy: -112.147 tors. eta vs tors. theta energy: -227.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2539.856211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.856211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.856211 (E_RNA) where: Base-Base interactions energy: -1790.796 where: short stacking energy: -734.894 Base-Backbone interact. energy: 2.917 local terms energy: -751.977695 where: bonds (distance) C4'-P energy: -146.908 bonds (distance) P-C4' energy: -125.834 flat angles C4'-P-C4' energy: -158.129 flat angles P-C4'-P energy: -104.643 tors. eta vs tors. theta energy: -216.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2376.028691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.028691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.028691 (E_RNA) where: Base-Base interactions energy: -1684.636 where: short stacking energy: -674.559 Base-Backbone interact. energy: 1.896 local terms energy: -693.288128 where: bonds (distance) C4'-P energy: -119.962 bonds (distance) P-C4' energy: -133.793 flat angles C4'-P-C4' energy: -133.997 flat angles P-C4'-P energy: -104.183 tors. eta vs tors. theta energy: -201.353 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: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2258.924470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.924470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.924470 (E_RNA) where: Base-Base interactions energy: -1619.536 where: short stacking energy: -668.661 Base-Backbone interact. energy: 0.296 local terms energy: -639.684268 where: bonds (distance) C4'-P energy: -110.064 bonds (distance) P-C4' energy: -103.870 flat angles C4'-P-C4' energy: -147.069 flat angles P-C4'-P energy: -97.767 tors. eta vs tors. theta energy: -180.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2331.005905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.005905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.005905 (E_RNA) where: Base-Base interactions energy: -1641.605 where: short stacking energy: -674.726 Base-Backbone interact. energy: -2.766 local terms energy: -686.635181 where: bonds (distance) C4'-P energy: -120.345 bonds (distance) P-C4' energy: -117.505 flat angles C4'-P-C4' energy: -148.249 flat angles P-C4'-P energy: -89.129 tors. eta vs tors. theta energy: -211.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2104.365082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.365082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.365082 (E_RNA) where: Base-Base interactions energy: -1505.945 where: short stacking energy: -605.979 Base-Backbone interact. energy: 1.345 local terms energy: -599.764743 where: bonds (distance) C4'-P energy: -110.013 bonds (distance) P-C4' energy: -129.145 flat angles C4'-P-C4' energy: -124.379 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -160.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1730.791911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.791911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.791911 (E_RNA) where: Base-Base interactions energy: -1165.748 where: short stacking energy: -507.115 Base-Backbone interact. energy: -0.343 local terms energy: -564.700932 where: bonds (distance) C4'-P energy: -98.093 bonds (distance) P-C4' energy: -125.976 flat angles C4'-P-C4' energy: -118.816 flat angles P-C4'-P energy: -91.902 tors. eta vs tors. theta energy: -129.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1632.800741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.800741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.800741 (E_RNA) where: Base-Base interactions energy: -1106.453 where: short stacking energy: -461.154 Base-Backbone interact. energy: 2.217 local terms energy: -528.565097 where: bonds (distance) C4'-P energy: -104.051 bonds (distance) P-C4' energy: -117.268 flat angles C4'-P-C4' energy: -130.751 flat angles P-C4'-P energy: -73.096 tors. eta vs tors. theta energy: -103.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1139.096013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.096013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.096013 (E_RNA) where: Base-Base interactions energy: -669.677 where: short stacking energy: -313.023 Base-Backbone interact. energy: 1.122 local terms energy: -470.541180 where: bonds (distance) C4'-P energy: -127.701 bonds (distance) P-C4' energy: -111.299 flat angles C4'-P-C4' energy: -115.505 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -53.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -957.029449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.029449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.029449 (E_RNA) where: Base-Base interactions energy: -532.783 where: short stacking energy: -268.411 Base-Backbone interact. energy: -0.416 local terms energy: -423.830941 where: bonds (distance) C4'-P energy: -101.078 bonds (distance) P-C4' energy: -110.373 flat angles C4'-P-C4' energy: -103.546 flat angles P-C4'-P energy: -69.902 tors. eta vs tors. theta energy: -38.931 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: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2553.732301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.732301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.732301 (E_RNA) where: Base-Base interactions energy: -1796.626 where: short stacking energy: -747.885 Base-Backbone interact. energy: -3.392 local terms energy: -753.713899 where: bonds (distance) C4'-P energy: -134.524 bonds (distance) P-C4' energy: -141.609 flat angles C4'-P-C4' energy: -148.435 flat angles P-C4'-P energy: -102.266 tors. eta vs tors. theta energy: -226.880 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: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2520.585157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.585157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.585157 (E_RNA) where: Base-Base interactions energy: -1784.394 where: short stacking energy: -742.562 Base-Backbone interact. energy: -1.735 local terms energy: -734.455790 where: bonds (distance) C4'-P energy: -126.388 bonds (distance) P-C4' energy: -126.192 flat angles C4'-P-C4' energy: -156.860 flat angles P-C4'-P energy: -109.344 tors. eta vs tors. theta energy: -215.672 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: 8 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2352.909364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.909364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.909364 (E_RNA) where: Base-Base interactions energy: -1673.032 where: short stacking energy: -698.481 Base-Backbone interact. energy: 1.389 local terms energy: -681.266309 where: bonds (distance) C4'-P energy: -118.324 bonds (distance) P-C4' energy: -118.365 flat angles C4'-P-C4' energy: -142.498 flat angles P-C4'-P energy: -102.475 tors. eta vs tors. theta energy: -199.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2394.366726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.366726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.366726 (E_RNA) where: Base-Base interactions energy: -1696.201 where: short stacking energy: -716.825 Base-Backbone interact. energy: -3.895 local terms energy: -694.270854 where: bonds (distance) C4'-P energy: -109.089 bonds (distance) P-C4' energy: -109.853 flat angles C4'-P-C4' energy: -149.814 flat angles P-C4'-P energy: -101.534 tors. eta vs tors. theta energy: -223.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2201.073867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.073867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.073867 (E_RNA) where: Base-Base interactions energy: -1549.757 where: short stacking energy: -622.712 Base-Backbone interact. energy: -2.446 local terms energy: -648.869920 where: bonds (distance) C4'-P energy: -122.630 bonds (distance) P-C4' energy: -122.216 flat angles C4'-P-C4' energy: -139.435 flat angles P-C4'-P energy: -79.770 tors. eta vs tors. theta energy: -184.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2094.955970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.955970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.955970 (E_RNA) where: Base-Base interactions energy: -1469.171 where: short stacking energy: -615.947 Base-Backbone interact. energy: -3.360 local terms energy: -622.424295 where: bonds (distance) C4'-P energy: -112.628 bonds (distance) P-C4' energy: -127.865 flat angles C4'-P-C4' energy: -131.454 flat angles P-C4'-P energy: -71.270 tors. eta vs tors. theta energy: -179.207 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: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1764.766638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.766638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.766638 (E_RNA) where: Base-Base interactions energy: -1187.190 where: short stacking energy: -532.513 Base-Backbone interact. energy: -2.562 local terms energy: -575.014768 where: bonds (distance) C4'-P energy: -97.800 bonds (distance) P-C4' energy: -107.765 flat angles C4'-P-C4' energy: -127.925 flat angles P-C4'-P energy: -101.014 tors. eta vs tors. theta energy: -140.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1737.832184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.832184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.832184 (E_RNA) where: Base-Base interactions energy: -1189.151 where: short stacking energy: -516.906 Base-Backbone interact. energy: -0.225 local terms energy: -548.456251 where: bonds (distance) C4'-P energy: -101.897 bonds (distance) P-C4' energy: -120.517 flat angles C4'-P-C4' energy: -117.662 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: -139.345 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: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1120.323953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.323953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.323953 (E_RNA) where: Base-Base interactions energy: -649.533 where: short stacking energy: -316.330 Base-Backbone interact. energy: -0.861 local terms energy: -469.929618 where: bonds (distance) C4'-P energy: -107.535 bonds (distance) P-C4' energy: -128.967 flat angles C4'-P-C4' energy: -122.766 flat angles P-C4'-P energy: -58.811 tors. eta vs tors. theta energy: -51.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -902.322303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.322303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.322303 (E_RNA) where: Base-Base interactions energy: -504.353 where: short stacking energy: -252.763 Base-Backbone interact. energy: -2.655 local terms energy: -395.314163 where: bonds (distance) C4'-P energy: -104.339 bonds (distance) P-C4' energy: -127.319 flat angles C4'-P-C4' energy: -84.207 flat angles P-C4'-P energy: -54.982 tors. eta vs tors. theta energy: -24.467 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: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2580.896918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.896918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.896918 (E_RNA) where: Base-Base interactions energy: -1822.976 where: short stacking energy: -761.984 Base-Backbone interact. energy: -1.199 local terms energy: -756.722071 where: bonds (distance) C4'-P energy: -133.692 bonds (distance) P-C4' energy: -132.545 flat angles C4'-P-C4' energy: -158.508 flat angles P-C4'-P energy: -102.455 tors. eta vs tors. theta energy: -229.521 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: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2503.866611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.866611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.866611 (E_RNA) where: Base-Base interactions energy: -1777.939 where: short stacking energy: -712.433 Base-Backbone interact. energy: -1.118 local terms energy: -724.809911 where: bonds (distance) C4'-P energy: -130.064 bonds (distance) P-C4' energy: -124.501 flat angles C4'-P-C4' energy: -152.195 flat angles P-C4'-P energy: -109.301 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: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2457.469567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.469567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.469567 (E_RNA) where: Base-Base interactions energy: -1751.920 where: short stacking energy: -723.810 Base-Backbone interact. energy: 1.195 local terms energy: -706.745145 where: bonds (distance) C4'-P energy: -110.457 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -142.945 flat angles P-C4'-P energy: -105.589 tors. eta vs tors. theta energy: -223.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2354.613638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.613638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.613638 (E_RNA) where: Base-Base interactions energy: -1686.507 where: short stacking energy: -664.131 Base-Backbone interact. energy: -0.499 local terms energy: -667.607262 where: bonds (distance) C4'-P energy: -102.133 bonds (distance) P-C4' energy: -136.477 flat angles C4'-P-C4' energy: -144.101 flat angles P-C4'-P energy: -98.185 tors. eta vs tors. theta energy: -186.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2173.391969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.391969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.391969 (E_RNA) where: Base-Base interactions energy: -1515.443 where: short stacking energy: -633.612 Base-Backbone interact. energy: -2.719 local terms energy: -655.230696 where: bonds (distance) C4'-P energy: -124.734 bonds (distance) P-C4' energy: -104.191 flat angles C4'-P-C4' energy: -150.287 flat angles P-C4'-P energy: -96.303 tors. eta vs tors. theta energy: -179.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2074.111871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.111871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.111871 (E_RNA) where: Base-Base interactions energy: -1459.007 where: short stacking energy: -584.058 Base-Backbone interact. energy: -2.463 local terms energy: -612.641810 where: bonds (distance) C4'-P energy: -104.652 bonds (distance) P-C4' energy: -116.684 flat angles C4'-P-C4' energy: -140.814 flat angles P-C4'-P energy: -89.527 tors. eta vs tors. theta energy: -160.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1822.068424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.068424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.068424 (E_RNA) where: Base-Base interactions energy: -1276.799 where: short stacking energy: -539.507 Base-Backbone interact. energy: 0.878 local terms energy: -546.146610 where: bonds (distance) C4'-P energy: -103.204 bonds (distance) P-C4' energy: -105.678 flat angles C4'-P-C4' energy: -118.868 flat angles P-C4'-P energy: -71.516 tors. eta vs tors. theta energy: -146.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1753.086198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.086198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.086198 (E_RNA) where: Base-Base interactions energy: -1187.653 where: short stacking energy: -510.338 Base-Backbone interact. energy: -1.623 local terms energy: -563.809773 where: bonds (distance) C4'-P energy: -111.240 bonds (distance) P-C4' energy: -103.409 flat angles C4'-P-C4' energy: -132.980 flat angles P-C4'-P energy: -81.591 tors. eta vs tors. theta energy: -134.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1084.244341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.244341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.244341 (E_RNA) where: Base-Base interactions energy: -665.387 where: short stacking energy: -303.149 Base-Backbone interact. energy: -0.252 local terms energy: -418.605170 where: bonds (distance) C4'-P energy: -111.966 bonds (distance) P-C4' energy: -101.765 flat angles C4'-P-C4' energy: -99.382 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: -50.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -912.170218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.170218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.170218 (E_RNA) where: Base-Base interactions energy: -540.652 where: short stacking energy: -239.369 Base-Backbone interact. energy: 2.324 local terms energy: -373.842524 where: bonds (distance) C4'-P energy: -110.924 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -97.748 flat angles P-C4'-P energy: -36.050 tors. eta vs tors. theta energy: -12.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2560.424446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.424446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.424446 (E_RNA) where: Base-Base interactions energy: -1817.971 where: short stacking energy: -747.230 Base-Backbone interact. energy: -1.783 local terms energy: -740.669752 where: bonds (distance) C4'-P energy: -125.340 bonds (distance) P-C4' energy: -134.662 flat angles C4'-P-C4' energy: -153.251 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -224.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2550.108933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.108933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.108933 (E_RNA) where: Base-Base interactions energy: -1812.010 where: short stacking energy: -742.018 Base-Backbone interact. energy: -0.889 local terms energy: -737.210522 where: bonds (distance) C4'-P energy: -125.036 bonds (distance) P-C4' energy: -136.702 flat angles C4'-P-C4' energy: -158.757 flat angles P-C4'-P energy: -99.139 tors. eta vs tors. theta energy: -217.575 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: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2460.733824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.733824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.733824 (E_RNA) where: Base-Base interactions energy: -1743.542 where: short stacking energy: -721.236 Base-Backbone interact. energy: -1.399 local terms energy: -715.792179 where: bonds (distance) C4'-P energy: -118.522 bonds (distance) P-C4' energy: -120.295 flat angles C4'-P-C4' energy: -147.825 flat angles P-C4'-P energy: -106.781 tors. eta vs tors. theta energy: -222.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2345.737572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.737572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.737572 (E_RNA) where: Base-Base interactions energy: -1658.913 where: short stacking energy: -671.057 Base-Backbone interact. energy: -2.637 local terms energy: -684.187380 where: bonds (distance) C4'-P energy: -123.580 bonds (distance) P-C4' energy: -132.607 flat angles C4'-P-C4' energy: -131.164 flat angles P-C4'-P energy: -104.610 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: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2178.486017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.486017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.486017 (E_RNA) where: Base-Base interactions energy: -1542.460 where: short stacking energy: -618.169 Base-Backbone interact. energy: -2.543 local terms energy: -633.483494 where: bonds (distance) C4'-P energy: -108.989 bonds (distance) P-C4' energy: -110.418 flat angles C4'-P-C4' energy: -152.419 flat angles P-C4'-P energy: -97.370 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: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2041.564495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.564495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.564495 (E_RNA) where: Base-Base interactions energy: -1437.664 where: short stacking energy: -577.922 Base-Backbone interact. energy: -0.273 local terms energy: -603.627107 where: bonds (distance) C4'-P energy: -114.944 bonds (distance) P-C4' energy: -117.222 flat angles C4'-P-C4' energy: -127.654 flat angles P-C4'-P energy: -85.961 tors. eta vs tors. theta energy: -157.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1710.428196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.428196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.428196 (E_RNA) where: Base-Base interactions energy: -1153.758 where: short stacking energy: -493.946 Base-Backbone interact. energy: -0.961 local terms energy: -555.709642 where: bonds (distance) C4'-P energy: -108.632 bonds (distance) P-C4' energy: -110.542 flat angles C4'-P-C4' energy: -142.471 flat angles P-C4'-P energy: -65.750 tors. eta vs tors. theta energy: -128.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1686.346632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.346632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.346632 (E_RNA) where: Base-Base interactions energy: -1100.100 where: short stacking energy: -495.687 Base-Backbone interact. energy: -0.635 local terms energy: -585.611195 where: bonds (distance) C4'-P energy: -114.170 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -121.799 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -135.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1134.858398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.858398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.858398 (E_RNA) where: Base-Base interactions energy: -687.856 where: short stacking energy: -318.333 Base-Backbone interact. energy: 2.274 local terms energy: -449.276999 where: bonds (distance) C4'-P energy: -106.493 bonds (distance) P-C4' energy: -112.375 flat angles C4'-P-C4' energy: -102.291 flat angles P-C4'-P energy: -71.762 tors. eta vs tors. theta energy: -56.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -916.908933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.908933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.908933 (E_RNA) where: Base-Base interactions energy: -541.594 where: short stacking energy: -283.618 Base-Backbone interact. energy: -1.421 local terms energy: -373.893605 where: bonds (distance) C4'-P energy: -105.435 bonds (distance) P-C4' energy: -101.602 flat angles C4'-P-C4' energy: -88.272 flat angles P-C4'-P energy: -52.918 tors. eta vs tors. theta energy: -25.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2552.003979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.003979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.003979 (E_RNA) where: Base-Base interactions energy: -1794.372 where: short stacking energy: -725.372 Base-Backbone interact. energy: -1.046 local terms energy: -756.586726 where: bonds (distance) C4'-P energy: -140.383 bonds (distance) P-C4' energy: -132.350 flat angles C4'-P-C4' energy: -149.964 flat angles P-C4'-P energy: -114.272 tors. eta vs tors. theta energy: -219.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2541.600469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.600469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.600469 (E_RNA) where: Base-Base interactions energy: -1802.715 where: short stacking energy: -728.461 Base-Backbone interact. energy: -3.059 local terms energy: -735.826664 where: bonds (distance) C4'-P energy: -127.070 bonds (distance) P-C4' energy: -127.355 flat angles C4'-P-C4' energy: -162.774 flat angles P-C4'-P energy: -104.024 tors. eta vs tors. theta energy: -214.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2438.939837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.939837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.939837 (E_RNA) where: Base-Base interactions energy: -1707.412 where: short stacking energy: -705.278 Base-Backbone interact. energy: -3.214 local terms energy: -728.313568 where: bonds (distance) C4'-P energy: -111.122 bonds (distance) P-C4' energy: -120.591 flat angles C4'-P-C4' energy: -166.383 flat angles P-C4'-P energy: -105.052 tors. eta vs tors. theta energy: -225.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2345.403149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.403149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.403149 (E_RNA) where: Base-Base interactions energy: -1661.683 where: short stacking energy: -646.391 Base-Backbone interact. energy: 2.643 local terms energy: -686.363513 where: bonds (distance) C4'-P energy: -111.805 bonds (distance) P-C4' energy: -137.292 flat angles C4'-P-C4' energy: -153.648 flat angles P-C4'-P energy: -98.824 tors. eta vs tors. theta energy: -184.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2172.901207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.901207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.901207 (E_RNA) where: Base-Base interactions energy: -1533.003 where: short stacking energy: -620.858 Base-Backbone interact. energy: -0.368 local terms energy: -639.530537 where: bonds (distance) C4'-P energy: -113.404 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -132.439 flat angles P-C4'-P energy: -83.744 tors. eta vs tors. theta energy: -177.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2114.005698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.005698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.005698 (E_RNA) where: Base-Base interactions energy: -1498.381 where: short stacking energy: -599.597 Base-Backbone interact. energy: -0.912 local terms energy: -614.712905 where: bonds (distance) C4'-P energy: -110.097 bonds (distance) P-C4' energy: -124.393 flat angles C4'-P-C4' energy: -125.663 flat angles P-C4'-P energy: -89.535 tors. eta vs tors. theta energy: -165.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1687.291165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.291165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.291165 (E_RNA) where: Base-Base interactions energy: -1111.315 where: short stacking energy: -480.200 Base-Backbone interact. energy: -0.706 local terms energy: -575.270469 where: bonds (distance) C4'-P energy: -122.599 bonds (distance) P-C4' energy: -104.806 flat angles C4'-P-C4' energy: -141.162 flat angles P-C4'-P energy: -83.403 tors. eta vs tors. theta energy: -123.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1633.306761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.306761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.306761 (E_RNA) where: Base-Base interactions energy: -1087.327 where: short stacking energy: -474.056 Base-Backbone interact. energy: -1.357 local terms energy: -544.623448 where: bonds (distance) C4'-P energy: -109.947 bonds (distance) P-C4' energy: -107.865 flat angles C4'-P-C4' energy: -127.334 flat angles P-C4'-P energy: -73.055 tors. eta vs tors. theta energy: -126.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1207.785618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.785618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.785618 (E_RNA) where: Base-Base interactions energy: -753.031 where: short stacking energy: -355.100 Base-Backbone interact. energy: 2.328 local terms energy: -457.083196 where: bonds (distance) C4'-P energy: -113.347 bonds (distance) P-C4' energy: -119.371 flat angles C4'-P-C4' energy: -96.784 flat angles P-C4'-P energy: -63.610 tors. eta vs tors. theta energy: -63.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -891.857175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.857175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.857175 (E_RNA) where: Base-Base interactions energy: -460.340 where: short stacking energy: -236.042 Base-Backbone interact. energy: -0.029 local terms energy: -431.488028 where: bonds (distance) C4'-P energy: -110.022 bonds (distance) P-C4' energy: -134.386 flat angles C4'-P-C4' energy: -102.568 flat angles P-C4'-P energy: -64.769 tors. eta vs tors. theta energy: -19.744 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: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2535.364855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.364855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.364855 (E_RNA) where: Base-Base interactions energy: -1792.216 where: short stacking energy: -755.124 Base-Backbone interact. energy: -2.030 local terms energy: -741.119154 where: bonds (distance) C4'-P energy: -134.601 bonds (distance) P-C4' energy: -123.513 flat angles C4'-P-C4' energy: -154.723 flat angles P-C4'-P energy: -107.816 tors. eta vs tors. theta energy: -220.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2536.384737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.384737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.384737 (E_RNA) where: Base-Base interactions energy: -1809.321 where: short stacking energy: -740.037 Base-Backbone interact. energy: -4.799 local terms energy: -722.264313 where: bonds (distance) C4'-P energy: -134.542 bonds (distance) P-C4' energy: -119.326 flat angles C4'-P-C4' energy: -148.150 flat angles P-C4'-P energy: -102.762 tors. eta vs tors. theta energy: -217.484 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: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2474.529618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.529618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.529618 (E_RNA) where: Base-Base interactions energy: -1756.680 where: short stacking energy: -712.282 Base-Backbone interact. energy: -1.217 local terms energy: -716.632195 where: bonds (distance) C4'-P energy: -113.656 bonds (distance) P-C4' energy: -129.685 flat angles C4'-P-C4' energy: -152.699 flat angles P-C4'-P energy: -104.463 tors. eta vs tors. theta energy: -216.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2333.871911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.871911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.871911 (E_RNA) where: Base-Base interactions energy: -1636.723 where: short stacking energy: -650.077 Base-Backbone interact. energy: -0.797 local terms energy: -696.352471 where: bonds (distance) C4'-P energy: -124.636 bonds (distance) P-C4' energy: -126.079 flat angles C4'-P-C4' energy: -148.922 flat angles P-C4'-P energy: -101.839 tors. eta vs tors. theta energy: -194.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2184.811377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.811377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.811377 (E_RNA) where: Base-Base interactions energy: -1530.137 where: short stacking energy: -647.119 Base-Backbone interact. energy: 2.467 local terms energy: -657.141919 where: bonds (distance) C4'-P energy: -123.170 bonds (distance) P-C4' energy: -119.318 flat angles C4'-P-C4' energy: -140.240 flat angles P-C4'-P energy: -99.531 tors. eta vs tors. theta energy: -174.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2101.472930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.472930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.472930 (E_RNA) where: Base-Base interactions energy: -1480.300 where: short stacking energy: -612.596 Base-Backbone interact. energy: -1.781 local terms energy: -619.391974 where: bonds (distance) C4'-P energy: -129.073 bonds (distance) P-C4' energy: -106.644 flat angles C4'-P-C4' energy: -131.095 flat angles P-C4'-P energy: -93.036 tors. eta vs tors. theta energy: -159.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1787.611619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.611619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.611619 (E_RNA) where: Base-Base interactions energy: -1225.291 where: short stacking energy: -528.517 Base-Backbone interact. energy: -1.973 local terms energy: -560.347882 where: bonds (distance) C4'-P energy: -116.082 bonds (distance) P-C4' energy: -105.673 flat angles C4'-P-C4' energy: -134.106 flat angles P-C4'-P energy: -73.623 tors. eta vs tors. theta energy: -130.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1625.689053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.689053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.689053 (E_RNA) where: Base-Base interactions energy: -1070.306 where: short stacking energy: -471.472 Base-Backbone interact. energy: -2.412 local terms energy: -552.970867 where: bonds (distance) C4'-P energy: -116.457 bonds (distance) P-C4' energy: -106.786 flat angles C4'-P-C4' energy: -117.636 flat angles P-C4'-P energy: -85.351 tors. eta vs tors. theta energy: -126.741 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: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1257.641300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.641300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.641300 (E_RNA) where: Base-Base interactions energy: -762.785 where: short stacking energy: -381.050 Base-Backbone interact. energy: -2.237 local terms energy: -492.619193 where: bonds (distance) C4'-P energy: -107.921 bonds (distance) P-C4' energy: -122.062 flat angles C4'-P-C4' energy: -116.816 flat angles P-C4'-P energy: -70.265 tors. eta vs tors. theta energy: -75.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -957.846829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.846829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.846829 (E_RNA) where: Base-Base interactions energy: -549.911 where: short stacking energy: -248.740 Base-Backbone interact. energy: 1.990 local terms energy: -409.925171 where: bonds (distance) C4'-P energy: -113.137 bonds (distance) P-C4' energy: -101.053 flat angles C4'-P-C4' energy: -94.445 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: -32.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2568.663204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.663204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.663204 (E_RNA) where: Base-Base interactions energy: -1797.495 where: short stacking energy: -745.651 Base-Backbone interact. energy: -0.353 local terms energy: -770.814823 where: bonds (distance) C4'-P energy: -151.854 bonds (distance) P-C4' energy: -133.907 flat angles C4'-P-C4' energy: -163.602 flat angles P-C4'-P energy: -105.732 tors. eta vs tors. theta energy: -215.719 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: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2512.957165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.957165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.957165 (E_RNA) where: Base-Base interactions energy: -1763.597 where: short stacking energy: -738.853 Base-Backbone interact. energy: -0.075 local terms energy: -749.285162 where: bonds (distance) C4'-P energy: -134.621 bonds (distance) P-C4' energy: -126.874 flat angles C4'-P-C4' energy: -165.872 flat angles P-C4'-P energy: -105.211 tors. eta vs tors. theta energy: -216.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2478.094965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.094965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.094965 (E_RNA) where: Base-Base interactions energy: -1758.340 where: short stacking energy: -716.294 Base-Backbone interact. energy: -1.249 local terms energy: -718.505876 where: bonds (distance) C4'-P energy: -127.657 bonds (distance) P-C4' energy: -125.369 flat angles C4'-P-C4' energy: -153.084 flat angles P-C4'-P energy: -99.756 tors. eta vs tors. theta energy: -212.639 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: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2366.072219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.072219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.072219 (E_RNA) where: Base-Base interactions energy: -1696.811 where: short stacking energy: -684.805 Base-Backbone interact. energy: -3.545 local terms energy: -665.716344 where: bonds (distance) C4'-P energy: -102.057 bonds (distance) P-C4' energy: -121.909 flat angles C4'-P-C4' energy: -142.464 flat angles P-C4'-P energy: -105.307 tors. eta vs tors. theta energy: -193.979 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: 174 Temperature: 1.100000 Total energy: -2207.082782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.082782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.082782 (E_RNA) where: Base-Base interactions energy: -1549.578 where: short stacking energy: -644.569 Base-Backbone interact. energy: -2.381 local terms energy: -655.123362 where: bonds (distance) C4'-P energy: -123.494 bonds (distance) P-C4' energy: -124.429 flat angles C4'-P-C4' energy: -140.906 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -178.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2103.902019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.902019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.902019 (E_RNA) where: Base-Base interactions energy: -1456.151 where: short stacking energy: -585.682 Base-Backbone interact. energy: 0.372 local terms energy: -648.122729 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -129.958 flat angles C4'-P-C4' energy: -138.747 flat angles P-C4'-P energy: -91.877 tors. eta vs tors. theta energy: -175.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1818.932695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.932695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.932695 (E_RNA) where: Base-Base interactions energy: -1275.163 where: short stacking energy: -538.039 Base-Backbone interact. energy: 0.227 local terms energy: -543.997054 where: bonds (distance) C4'-P energy: -111.363 bonds (distance) P-C4' energy: -89.584 flat angles C4'-P-C4' energy: -125.243 flat angles P-C4'-P energy: -78.434 tors. eta vs tors. theta energy: -139.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1532.234979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.234979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.234979 (E_RNA) where: Base-Base interactions energy: -1028.424 where: short stacking energy: -452.996 Base-Backbone interact. energy: -1.065 local terms energy: -502.746173 where: bonds (distance) C4'-P energy: -90.658 bonds (distance) P-C4' energy: -112.603 flat angles C4'-P-C4' energy: -98.063 flat angles P-C4'-P energy: -74.598 tors. eta vs tors. theta energy: -126.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1187.929603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.929603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.929603 (E_RNA) where: Base-Base interactions energy: -747.623 where: short stacking energy: -329.263 Base-Backbone interact. energy: -2.942 local terms energy: -437.364851 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -104.181 flat angles C4'-P-C4' energy: -97.805 flat angles P-C4'-P energy: -74.235 tors. eta vs tors. theta energy: -61.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -912.803178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.803178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.803178 (E_RNA) where: Base-Base interactions energy: -530.770 where: short stacking energy: -270.267 Base-Backbone interact. energy: -2.346 local terms energy: -379.687370 where: bonds (distance) C4'-P energy: -74.312 bonds (distance) P-C4' energy: -94.168 flat angles C4'-P-C4' energy: -111.876 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -45.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2566.549102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.549102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.549102 (E_RNA) where: Base-Base interactions energy: -1820.892 where: short stacking energy: -755.934 Base-Backbone interact. energy: -2.064 local terms energy: -743.593458 where: bonds (distance) C4'-P energy: -141.438 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -146.359 flat angles P-C4'-P energy: -111.540 tors. eta vs tors. theta energy: -215.073 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: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2479.292751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.292751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.292751 (E_RNA) where: Base-Base interactions energy: -1731.210 where: short stacking energy: -702.921 Base-Backbone interact. energy: -1.634 local terms energy: -746.448691 where: bonds (distance) C4'-P energy: -127.286 bonds (distance) P-C4' energy: -139.036 flat angles C4'-P-C4' energy: -153.713 flat angles P-C4'-P energy: -108.353 tors. eta vs tors. theta energy: -218.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2460.199182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.199182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.199182 (E_RNA) where: Base-Base interactions energy: -1720.499 where: short stacking energy: -728.807 Base-Backbone interact. energy: 1.103 local terms energy: -740.803769 where: bonds (distance) C4'-P energy: -113.319 bonds (distance) P-C4' energy: -133.566 flat angles C4'-P-C4' energy: -169.625 flat angles P-C4'-P energy: -104.030 tors. eta vs tors. theta energy: -220.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2333.474752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.474752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.474752 (E_RNA) where: Base-Base interactions energy: -1626.193 where: short stacking energy: -691.209 Base-Backbone interact. energy: -3.652 local terms energy: -703.629811 where: bonds (distance) C4'-P energy: -122.359 bonds (distance) P-C4' energy: -122.090 flat angles C4'-P-C4' energy: -144.606 flat angles P-C4'-P energy: -107.849 tors. eta vs tors. theta energy: -206.727 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: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2166.437709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.437709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.437709 (E_RNA) where: Base-Base interactions energy: -1508.663 where: short stacking energy: -638.665 Base-Backbone interact. energy: -1.338 local terms energy: -656.436941 where: bonds (distance) C4'-P energy: -120.954 bonds (distance) P-C4' energy: -126.527 flat angles C4'-P-C4' energy: -144.748 flat angles P-C4'-P energy: -92.034 tors. eta vs tors. theta energy: -172.174 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: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2112.656122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.656122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.656122 (E_RNA) where: Base-Base interactions energy: -1471.361 where: short stacking energy: -590.643 Base-Backbone interact. energy: -2.978 local terms energy: -638.317165 where: bonds (distance) C4'-P energy: -125.098 bonds (distance) P-C4' energy: -122.645 flat angles C4'-P-C4' energy: -140.529 flat angles P-C4'-P energy: -79.884 tors. eta vs tors. theta energy: -170.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1863.348754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.348754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.348754 (E_RNA) where: Base-Base interactions energy: -1270.396 where: short stacking energy: -542.129 Base-Backbone interact. energy: -1.684 local terms energy: -591.268667 where: bonds (distance) C4'-P energy: -115.774 bonds (distance) P-C4' energy: -102.687 flat angles C4'-P-C4' energy: -134.796 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -156.574 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: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1546.849768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.849768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.849768 (E_RNA) where: Base-Base interactions energy: -1030.321 where: short stacking energy: -442.456 Base-Backbone interact. energy: -0.231 local terms energy: -516.297796 where: bonds (distance) C4'-P energy: -103.031 bonds (distance) P-C4' energy: -113.057 flat angles C4'-P-C4' energy: -119.423 flat angles P-C4'-P energy: -77.892 tors. eta vs tors. theta energy: -102.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1045.736456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.736456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.736456 (E_RNA) where: Base-Base interactions energy: -633.853 where: short stacking energy: -281.219 Base-Backbone interact. energy: 3.142 local terms energy: -415.025463 where: bonds (distance) C4'-P energy: -95.716 bonds (distance) P-C4' energy: -99.898 flat angles C4'-P-C4' energy: -104.194 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -41.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -982.241304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.241304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.241304 (E_RNA) where: Base-Base interactions energy: -573.136 where: short stacking energy: -297.999 Base-Backbone interact. energy: -0.062 local terms energy: -409.043478 where: bonds (distance) C4'-P energy: -104.422 bonds (distance) P-C4' energy: -117.230 flat angles C4'-P-C4' energy: -99.646 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: -46.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2582.482858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.482858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.482858 (E_RNA) where: Base-Base interactions energy: -1824.503 where: short stacking energy: -752.092 Base-Backbone interact. energy: 2.008 local terms energy: -759.987798 where: bonds (distance) C4'-P energy: -128.589 bonds (distance) P-C4' energy: -144.536 flat angles C4'-P-C4' energy: -157.987 flat angles P-C4'-P energy: -101.520 tors. eta vs tors. theta energy: -227.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2492.060383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.060383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.060383 (E_RNA) where: Base-Base interactions energy: -1770.069 where: short stacking energy: -721.607 Base-Backbone interact. energy: -0.785 local terms energy: -721.206099 where: bonds (distance) C4'-P energy: -125.185 bonds (distance) P-C4' energy: -112.551 flat angles C4'-P-C4' energy: -157.715 flat angles P-C4'-P energy: -108.476 tors. eta vs tors. theta energy: -217.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2471.721333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.721333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.721333 (E_RNA) where: Base-Base interactions energy: -1720.409 where: short stacking energy: -727.072 Base-Backbone interact. energy: -1.294 local terms energy: -750.018303 where: bonds (distance) C4'-P energy: -120.242 bonds (distance) P-C4' energy: -138.332 flat angles C4'-P-C4' energy: -148.994 flat angles P-C4'-P energy: -113.792 tors. eta vs tors. theta energy: -228.658 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: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2348.388864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.388864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.388864 (E_RNA) where: Base-Base interactions energy: -1633.656 where: short stacking energy: -684.158 Base-Backbone interact. energy: -1.767 local terms energy: -712.965386 where: bonds (distance) C4'-P energy: -131.738 bonds (distance) P-C4' energy: -138.023 flat angles C4'-P-C4' energy: -148.599 flat angles P-C4'-P energy: -96.085 tors. eta vs tors. theta energy: -198.520 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: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2146.439785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.439785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.439785 (E_RNA) where: Base-Base interactions energy: -1515.938 where: short stacking energy: -632.562 Base-Backbone interact. energy: 0.129 local terms energy: -630.630653 where: bonds (distance) C4'-P energy: -115.172 bonds (distance) P-C4' energy: -105.524 flat angles C4'-P-C4' energy: -138.375 flat angles P-C4'-P energy: -99.249 tors. eta vs tors. theta energy: -172.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2094.783503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.783503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.783503 (E_RNA) where: Base-Base interactions energy: -1448.790 where: short stacking energy: -592.672 Base-Backbone interact. energy: 0.774 local terms energy: -646.767571 where: bonds (distance) C4'-P energy: -102.092 bonds (distance) P-C4' energy: -121.656 flat angles C4'-P-C4' energy: -154.587 flat angles P-C4'-P energy: -87.489 tors. eta vs tors. theta energy: -180.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1727.996937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.996937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.996937 (E_RNA) where: Base-Base interactions energy: -1193.993 where: short stacking energy: -503.725 Base-Backbone interact. energy: -0.436 local terms energy: -533.567351 where: bonds (distance) C4'-P energy: -106.569 bonds (distance) P-C4' energy: -119.254 flat angles C4'-P-C4' energy: -121.547 flat angles P-C4'-P energy: -74.344 tors. eta vs tors. theta energy: -111.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1526.680839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.680839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.680839 (E_RNA) where: Base-Base interactions energy: -1008.851 where: short stacking energy: -445.645 Base-Backbone interact. energy: 5.550 local terms energy: -523.379467 where: bonds (distance) C4'-P energy: -109.233 bonds (distance) P-C4' energy: -105.551 flat angles C4'-P-C4' energy: -129.328 flat angles P-C4'-P energy: -80.548 tors. eta vs tors. theta energy: -98.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1097.337325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.337325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.337325 (E_RNA) where: Base-Base interactions energy: -629.718 where: short stacking energy: -301.762 Base-Backbone interact. energy: -0.167 local terms energy: -467.452021 where: bonds (distance) C4'-P energy: -119.151 bonds (distance) P-C4' energy: -111.014 flat angles C4'-P-C4' energy: -120.692 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: -48.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -973.922378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.922378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.922378 (E_RNA) where: Base-Base interactions energy: -588.157 where: short stacking energy: -290.457 Base-Backbone interact. energy: -3.354 local terms energy: -382.411382 where: bonds (distance) C4'-P energy: -96.001 bonds (distance) P-C4' energy: -100.135 flat angles C4'-P-C4' energy: -108.293 flat angles P-C4'-P energy: -50.095 tors. eta vs tors. theta energy: -27.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2535.215241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.215241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.215241 (E_RNA) where: Base-Base interactions energy: -1774.797 where: short stacking energy: -740.036 Base-Backbone interact. energy: -3.066 local terms energy: -757.352025 where: bonds (distance) C4'-P energy: -131.690 bonds (distance) P-C4' energy: -139.301 flat angles C4'-P-C4' energy: -158.835 flat angles P-C4'-P energy: -108.665 tors. eta vs tors. theta energy: -218.861 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: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2535.247639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.247639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.247639 (E_RNA) where: Base-Base interactions energy: -1789.299 where: short stacking energy: -758.971 Base-Backbone interact. energy: -1.758 local terms energy: -744.190100 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -122.382 flat angles C4'-P-C4' energy: -150.370 flat angles P-C4'-P energy: -116.668 tors. eta vs tors. theta energy: -233.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2438.153493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.153493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.153493 (E_RNA) where: Base-Base interactions energy: -1727.324 where: short stacking energy: -721.181 Base-Backbone interact. energy: -0.714 local terms energy: -710.115625 where: bonds (distance) C4'-P energy: -121.329 bonds (distance) P-C4' energy: -127.178 flat angles C4'-P-C4' energy: -151.814 flat angles P-C4'-P energy: -95.842 tors. eta vs tors. theta energy: -213.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2351.635954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.635954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.635954 (E_RNA) where: Base-Base interactions energy: -1652.530 where: short stacking energy: -660.321 Base-Backbone interact. energy: -4.219 local terms energy: -694.886913 where: bonds (distance) C4'-P energy: -124.288 bonds (distance) P-C4' energy: -136.236 flat angles C4'-P-C4' energy: -147.889 flat angles P-C4'-P energy: -95.607 tors. eta vs tors. theta energy: -190.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2168.716498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.716498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.716498 (E_RNA) where: Base-Base interactions energy: -1536.913 where: short stacking energy: -652.052 Base-Backbone interact. energy: 1.858 local terms energy: -633.661998 where: bonds (distance) C4'-P energy: -106.050 bonds (distance) P-C4' energy: -127.040 flat angles C4'-P-C4' energy: -136.129 flat angles P-C4'-P energy: -81.961 tors. eta vs tors. theta energy: -182.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2101.161857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.161857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.161857 (E_RNA) where: Base-Base interactions energy: -1498.025 where: short stacking energy: -613.241 Base-Backbone interact. energy: -2.897 local terms energy: -600.240223 where: bonds (distance) C4'-P energy: -100.989 bonds (distance) P-C4' energy: -115.558 flat angles C4'-P-C4' energy: -131.017 flat angles P-C4'-P energy: -80.052 tors. eta vs tors. theta energy: -172.625 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: 177 Temperature: 1.200000 Total energy: -1731.733404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.733404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.733404 (E_RNA) where: Base-Base interactions energy: -1162.925 where: short stacking energy: -493.168 Base-Backbone interact. energy: 3.094 local terms energy: -571.901705 where: bonds (distance) C4'-P energy: -115.224 bonds (distance) P-C4' energy: -120.406 flat angles C4'-P-C4' energy: -117.608 flat angles P-C4'-P energy: -86.325 tors. eta vs tors. theta energy: -132.338 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: 8, replica: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1530.688843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.688843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.688843 (E_RNA) where: Base-Base interactions energy: -1011.590 where: short stacking energy: -443.757 Base-Backbone interact. energy: -1.149 local terms energy: -517.949860 where: bonds (distance) C4'-P energy: -93.571 bonds (distance) P-C4' energy: -117.166 flat angles C4'-P-C4' energy: -126.093 flat angles P-C4'-P energy: -69.065 tors. eta vs tors. theta energy: -112.054 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: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1156.105674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.105674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.105674 (E_RNA) where: Base-Base interactions energy: -731.968 where: short stacking energy: -338.752 Base-Backbone interact. energy: -1.824 local terms energy: -422.313835 where: bonds (distance) C4'-P energy: -90.813 bonds (distance) P-C4' energy: -103.653 flat angles C4'-P-C4' energy: -113.339 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: -59.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -903.619215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.619215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.619215 (E_RNA) where: Base-Base interactions energy: -548.396 where: short stacking energy: -253.758 Base-Backbone interact. energy: -2.357 local terms energy: -352.866448 where: bonds (distance) C4'-P energy: -97.232 bonds (distance) P-C4' energy: -93.169 flat angles C4'-P-C4' energy: -104.195 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2571.486466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.486466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.486466 (E_RNA) where: Base-Base interactions energy: -1814.792 where: short stacking energy: -759.824 Base-Backbone interact. energy: 1.614 local terms energy: -758.308493 where: bonds (distance) C4'-P energy: -140.115 bonds (distance) P-C4' energy: -145.103 flat angles C4'-P-C4' energy: -155.940 flat angles P-C4'-P energy: -103.751 tors. eta vs tors. theta energy: -213.399 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: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2550.255865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.255865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.255865 (E_RNA) where: Base-Base interactions energy: -1804.663 where: short stacking energy: -778.580 Base-Backbone interact. energy: -1.228 local terms energy: -744.365108 where: bonds (distance) C4'-P energy: -135.685 bonds (distance) P-C4' energy: -115.432 flat angles C4'-P-C4' energy: -157.539 flat angles P-C4'-P energy: -100.174 tors. eta vs tors. theta energy: -235.536 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: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2443.478054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.478054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.478054 (E_RNA) where: Base-Base interactions energy: -1722.215 where: short stacking energy: -719.742 Base-Backbone interact. energy: -1.645 local terms energy: -719.617714 where: bonds (distance) C4'-P energy: -126.704 bonds (distance) P-C4' energy: -128.526 flat angles C4'-P-C4' energy: -148.461 flat angles P-C4'-P energy: -98.525 tors. eta vs tors. theta energy: -217.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2303.959378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.959378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.959378 (E_RNA) where: Base-Base interactions energy: -1626.839 where: short stacking energy: -647.051 Base-Backbone interact. energy: -0.826 local terms energy: -676.294194 where: bonds (distance) C4'-P energy: -132.730 bonds (distance) P-C4' energy: -113.438 flat angles C4'-P-C4' energy: -149.930 flat angles P-C4'-P energy: -94.477 tors. eta vs tors. theta energy: -185.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2170.854294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.854294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.854294 (E_RNA) where: Base-Base interactions energy: -1531.737 where: short stacking energy: -616.373 Base-Backbone interact. energy: -0.574 local terms energy: -638.542987 where: bonds (distance) C4'-P energy: -107.839 bonds (distance) P-C4' energy: -127.514 flat angles C4'-P-C4' energy: -147.589 flat angles P-C4'-P energy: -78.433 tors. eta vs tors. theta energy: -177.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2124.433535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.433535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.433535 (E_RNA) where: Base-Base interactions energy: -1530.404 where: short stacking energy: -618.197 Base-Backbone interact. energy: 5.859 local terms energy: -599.888030 where: bonds (distance) C4'-P energy: -112.450 bonds (distance) P-C4' energy: -111.939 flat angles C4'-P-C4' energy: -130.349 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -164.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1736.908224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.908224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.908224 (E_RNA) where: Base-Base interactions energy: -1204.336 where: short stacking energy: -493.977 Base-Backbone interact. energy: -0.859 local terms energy: -531.713291 where: bonds (distance) C4'-P energy: -103.956 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -120.677 flat angles P-C4'-P energy: -75.893 tors. eta vs tors. theta energy: -120.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1512.757212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.757212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.757212 (E_RNA) where: Base-Base interactions energy: -1012.579 where: short stacking energy: -453.010 Base-Backbone interact. energy: -0.171 local terms energy: -500.007252 where: bonds (distance) C4'-P energy: -111.093 bonds (distance) P-C4' energy: -98.566 flat angles C4'-P-C4' energy: -135.543 flat angles P-C4'-P energy: -71.905 tors. eta vs tors. theta energy: -82.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1247.354271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.354271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.354271 (E_RNA) where: Base-Base interactions energy: -819.007 where: short stacking energy: -353.112 Base-Backbone interact. energy: 0.200 local terms energy: -428.546882 where: bonds (distance) C4'-P energy: -71.500 bonds (distance) P-C4' energy: -118.663 flat angles C4'-P-C4' energy: -112.156 flat angles P-C4'-P energy: -60.812 tors. eta vs tors. theta energy: -65.416 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: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -960.717453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.717453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.717453 (E_RNA) where: Base-Base interactions energy: -558.749 where: short stacking energy: -275.968 Base-Backbone interact. energy: 1.067 local terms energy: -403.035613 where: bonds (distance) C4'-P energy: -98.444 bonds (distance) P-C4' energy: -118.731 flat angles C4'-P-C4' energy: -92.883 flat angles P-C4'-P energy: -65.954 tors. eta vs tors. theta energy: -27.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2571.715841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.715841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.715841 (E_RNA) where: Base-Base interactions energy: -1834.918 where: short stacking energy: -765.093 Base-Backbone interact. energy: -0.674 local terms energy: -736.123781 where: bonds (distance) C4'-P energy: -121.804 bonds (distance) P-C4' energy: -134.069 flat angles C4'-P-C4' energy: -158.879 flat angles P-C4'-P energy: -105.277 tors. eta vs tors. theta energy: -216.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2508.279605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.279605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.279605 (E_RNA) where: Base-Base interactions energy: -1776.940 where: short stacking energy: -744.028 Base-Backbone interact. energy: -0.425 local terms energy: -730.913834 where: bonds (distance) C4'-P energy: -125.412 bonds (distance) P-C4' energy: -114.770 flat angles C4'-P-C4' energy: -164.068 flat angles P-C4'-P energy: -100.858 tors. eta vs tors. theta energy: -225.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2446.020547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.020547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.020547 (E_RNA) where: Base-Base interactions energy: -1733.519 where: short stacking energy: -707.613 Base-Backbone interact. energy: -1.726 local terms energy: -710.775260 where: bonds (distance) C4'-P energy: -116.577 bonds (distance) P-C4' energy: -124.473 flat angles C4'-P-C4' energy: -148.811 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -215.290 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: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2293.925750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.925750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.925750 (E_RNA) where: Base-Base interactions energy: -1608.072 where: short stacking energy: -655.170 Base-Backbone interact. energy: -2.453 local terms energy: -683.401199 where: bonds (distance) C4'-P energy: -113.328 bonds (distance) P-C4' energy: -125.286 flat angles C4'-P-C4' energy: -148.054 flat angles P-C4'-P energy: -108.517 tors. eta vs tors. theta energy: -188.217 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: 9 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2207.981431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.981431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.981431 (E_RNA) where: Base-Base interactions energy: -1538.077 where: short stacking energy: -640.101 Base-Backbone interact. energy: -0.915 local terms energy: -668.989667 where: bonds (distance) C4'-P energy: -111.581 bonds (distance) P-C4' energy: -130.998 flat angles C4'-P-C4' energy: -156.859 flat angles P-C4'-P energy: -80.620 tors. eta vs tors. theta energy: -188.932 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: 179 Temperature: 1.150000 Total energy: -2127.980404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.980404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.980404 (E_RNA) where: Base-Base interactions energy: -1491.906 where: short stacking energy: -615.543 Base-Backbone interact. energy: -0.207 local terms energy: -635.867119 where: bonds (distance) C4'-P energy: -99.829 bonds (distance) P-C4' energy: -123.535 flat angles C4'-P-C4' energy: -146.113 flat angles P-C4'-P energy: -87.872 tors. eta vs tors. theta energy: -178.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1843.979550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.979550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.979550 (E_RNA) where: Base-Base interactions energy: -1255.454 where: short stacking energy: -551.647 Base-Backbone interact. energy: -1.444 local terms energy: -587.081505 where: bonds (distance) C4'-P energy: -103.442 bonds (distance) P-C4' energy: -113.340 flat angles C4'-P-C4' energy: -123.588 flat angles P-C4'-P energy: -84.145 tors. eta vs tors. theta energy: -162.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1547.590019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.590019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.590019 (E_RNA) where: Base-Base interactions energy: -1038.218 where: short stacking energy: -429.470 Base-Backbone interact. energy: -2.904 local terms energy: -506.467635 where: bonds (distance) C4'-P energy: -103.991 bonds (distance) P-C4' energy: -110.487 flat angles C4'-P-C4' energy: -109.454 flat angles P-C4'-P energy: -77.799 tors. eta vs tors. theta energy: -104.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1253.203084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.203084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.203084 (E_RNA) where: Base-Base interactions energy: -821.403 where: short stacking energy: -351.846 Base-Backbone interact. energy: 2.428 local terms energy: -434.228058 where: bonds (distance) C4'-P energy: -99.026 bonds (distance) P-C4' energy: -119.468 flat angles C4'-P-C4' energy: -104.948 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -58.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -950.224256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.224256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.224256 (E_RNA) where: Base-Base interactions energy: -546.392 where: short stacking energy: -258.886 Base-Backbone interact. energy: -3.348 local terms energy: -400.484700 where: bonds (distance) C4'-P energy: -104.608 bonds (distance) P-C4' energy: -119.368 flat angles C4'-P-C4' energy: -86.762 flat angles P-C4'-P energy: -64.973 tors. eta vs tors. theta energy: -24.772 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: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2554.265140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.265140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.265140 (E_RNA) where: Base-Base interactions energy: -1810.534 where: short stacking energy: -723.451 Base-Backbone interact. energy: -1.357 local terms energy: -742.373870 where: bonds (distance) C4'-P energy: -136.148 bonds (distance) P-C4' energy: -149.516 flat angles C4'-P-C4' energy: -148.378 flat angles P-C4'-P energy: -103.173 tors. eta vs tors. theta energy: -205.158 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: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2505.556948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.556948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.556948 (E_RNA) where: Base-Base interactions energy: -1750.760 where: short stacking energy: -739.688 Base-Backbone interact. energy: 0.315 local terms energy: -755.112316 where: bonds (distance) C4'-P energy: -125.857 bonds (distance) P-C4' energy: -130.767 flat angles C4'-P-C4' energy: -160.681 flat angles P-C4'-P energy: -104.770 tors. eta vs tors. theta energy: -233.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2442.670469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.670469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.670469 (E_RNA) where: Base-Base interactions energy: -1749.285 where: short stacking energy: -738.029 Base-Backbone interact. energy: 0.024 local terms energy: -693.408883 where: bonds (distance) C4'-P energy: -110.885 bonds (distance) P-C4' energy: -109.909 flat angles C4'-P-C4' energy: -147.577 flat angles P-C4'-P energy: -103.002 tors. eta vs tors. theta energy: -222.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2315.196326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.196326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.196326 (E_RNA) where: Base-Base interactions energy: -1631.158 where: short stacking energy: -671.695 Base-Backbone interact. energy: 1.609 local terms energy: -685.646679 where: bonds (distance) C4'-P energy: -125.991 bonds (distance) P-C4' energy: -118.359 flat angles C4'-P-C4' energy: -145.091 flat angles P-C4'-P energy: -96.164 tors. eta vs tors. theta energy: -200.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2219.244521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.244521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.244521 (E_RNA) where: Base-Base interactions energy: -1560.147 where: short stacking energy: -659.385 Base-Backbone interact. energy: -3.567 local terms energy: -655.530203 where: bonds (distance) C4'-P energy: -117.470 bonds (distance) P-C4' energy: -118.837 flat angles C4'-P-C4' energy: -135.471 flat angles P-C4'-P energy: -96.826 tors. eta vs tors. theta energy: -186.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2111.094615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.094615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.094615 (E_RNA) where: Base-Base interactions energy: -1478.102 where: short stacking energy: -606.368 Base-Backbone interact. energy: -2.014 local terms energy: -630.978056 where: bonds (distance) C4'-P energy: -109.856 bonds (distance) P-C4' energy: -115.489 flat angles C4'-P-C4' energy: -136.063 flat angles P-C4'-P energy: -96.376 tors. eta vs tors. theta energy: -173.194 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: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1931.240817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.240817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.240817 (E_RNA) where: Base-Base interactions energy: -1335.638 where: short stacking energy: -547.771 Base-Backbone interact. energy: -1.498 local terms energy: -594.104209 where: bonds (distance) C4'-P energy: -111.200 bonds (distance) P-C4' energy: -130.371 flat angles C4'-P-C4' energy: -126.326 flat angles P-C4'-P energy: -85.218 tors. eta vs tors. theta energy: -140.990 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: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1596.105369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.105369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.105369 (E_RNA) where: Base-Base interactions energy: -1054.787 where: short stacking energy: -482.148 Base-Backbone interact. energy: -3.302 local terms energy: -538.016181 where: bonds (distance) C4'-P energy: -112.221 bonds (distance) P-C4' energy: -117.107 flat angles C4'-P-C4' energy: -103.361 flat angles P-C4'-P energy: -84.323 tors. eta vs tors. theta energy: -121.005 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: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1291.280374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.280374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.280374 (E_RNA) where: Base-Base interactions energy: -822.905 where: short stacking energy: -376.595 Base-Backbone interact. energy: -1.621 local terms energy: -466.753444 where: bonds (distance) C4'-P energy: -109.136 bonds (distance) P-C4' energy: -127.743 flat angles C4'-P-C4' energy: -94.241 flat angles P-C4'-P energy: -71.263 tors. eta vs tors. theta energy: -64.371 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: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -940.489052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.489052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.489052 (E_RNA) where: Base-Base interactions energy: -558.982 where: short stacking energy: -249.296 Base-Backbone interact. energy: 0.389 local terms energy: -381.895288 where: bonds (distance) C4'-P energy: -118.779 bonds (distance) P-C4' energy: -118.191 flat angles C4'-P-C4' energy: -89.266 flat angles P-C4'-P energy: -36.859 tors. eta vs tors. theta energy: -18.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2559.121580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.121580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.121580 (E_RNA) where: Base-Base interactions energy: -1817.648 where: short stacking energy: -742.853 Base-Backbone interact. energy: -4.078 local terms energy: -737.396147 where: bonds (distance) C4'-P energy: -128.572 bonds (distance) P-C4' energy: -133.634 flat angles C4'-P-C4' energy: -153.015 flat angles P-C4'-P energy: -100.126 tors. eta vs tors. theta energy: -222.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2501.746186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.746186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.746186 (E_RNA) where: Base-Base interactions energy: -1766.273 where: short stacking energy: -740.444 Base-Backbone interact. energy: 0.634 local terms energy: -736.107577 where: bonds (distance) C4'-P energy: -133.216 bonds (distance) P-C4' energy: -128.419 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -108.687 tors. eta vs tors. theta energy: -211.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2434.954504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.954504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.954504 (E_RNA) where: Base-Base interactions energy: -1695.768 where: short stacking energy: -718.710 Base-Backbone interact. energy: -1.263 local terms energy: -737.923779 where: bonds (distance) C4'-P energy: -133.190 bonds (distance) P-C4' energy: -133.428 flat angles C4'-P-C4' energy: -157.815 flat angles P-C4'-P energy: -100.015 tors. eta vs tors. theta energy: -213.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2321.409066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.409066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.409066 (E_RNA) where: Base-Base interactions energy: -1656.009 where: short stacking energy: -657.835 Base-Backbone interact. energy: 3.754 local terms energy: -669.154711 where: bonds (distance) C4'-P energy: -112.242 bonds (distance) P-C4' energy: -118.316 flat angles C4'-P-C4' energy: -143.787 flat angles P-C4'-P energy: -106.179 tors. eta vs tors. theta energy: -188.631 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: 5, replica: 9 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2215.662690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.662690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.662690 (E_RNA) where: Base-Base interactions energy: -1551.231 where: short stacking energy: -637.090 Base-Backbone interact. energy: 0.032 local terms energy: -664.463860 where: bonds (distance) C4'-P energy: -121.111 bonds (distance) P-C4' energy: -116.410 flat angles C4'-P-C4' energy: -139.627 flat angles P-C4'-P energy: -105.447 tors. eta vs tors. theta energy: -181.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2078.420070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.420070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.420070 (E_RNA) where: Base-Base interactions energy: -1481.129 where: short stacking energy: -587.430 Base-Backbone interact. energy: -1.386 local terms energy: -595.904943 where: bonds (distance) C4'-P energy: -99.546 bonds (distance) P-C4' energy: -115.286 flat angles C4'-P-C4' energy: -133.167 flat angles P-C4'-P energy: -87.906 tors. eta vs tors. theta energy: -159.999 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: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1959.879820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.879820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.879820 (E_RNA) where: Base-Base interactions energy: -1335.644 where: short stacking energy: -586.545 Base-Backbone interact. energy: -0.075 local terms energy: -624.160079 where: bonds (distance) C4'-P energy: -117.238 bonds (distance) P-C4' energy: -117.241 flat angles C4'-P-C4' energy: -123.379 flat angles P-C4'-P energy: -98.359 tors. eta vs tors. theta energy: -167.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1507.436092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.436092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.436092 (E_RNA) where: Base-Base interactions energy: -999.007 where: short stacking energy: -428.650 Base-Backbone interact. energy: -1.711 local terms energy: -506.718413 where: bonds (distance) C4'-P energy: -84.873 bonds (distance) P-C4' energy: -127.427 flat angles C4'-P-C4' energy: -129.326 flat angles P-C4'-P energy: -67.784 tors. eta vs tors. theta energy: -97.309 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: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1270.175501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.175501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.175501 (E_RNA) where: Base-Base interactions energy: -829.382 where: short stacking energy: -360.778 Base-Backbone interact. energy: 1.715 local terms energy: -442.508549 where: bonds (distance) C4'-P energy: -98.330 bonds (distance) P-C4' energy: -101.110 flat angles C4'-P-C4' energy: -120.967 flat angles P-C4'-P energy: -48.852 tors. eta vs tors. theta energy: -73.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -866.897793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.897793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.897793 (E_RNA) where: Base-Base interactions energy: -503.694 where: short stacking energy: -254.468 Base-Backbone interact. energy: -3.774 local terms energy: -359.429281 where: bonds (distance) C4'-P energy: -91.928 bonds (distance) P-C4' energy: -122.672 flat angles C4'-P-C4' energy: -86.300 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -11.057 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: 6 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2570.674864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.674864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.674864 (E_RNA) where: Base-Base interactions energy: -1830.145 where: short stacking energy: -757.803 Base-Backbone interact. energy: -0.293 local terms energy: -740.237598 where: bonds (distance) C4'-P energy: -128.306 bonds (distance) P-C4' energy: -145.510 flat angles C4'-P-C4' energy: -149.237 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -215.075 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: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2521.819026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.819026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.819026 (E_RNA) where: Base-Base interactions energy: -1750.937 where: short stacking energy: -743.670 Base-Backbone interact. energy: -0.764 local terms energy: -770.117374 where: bonds (distance) C4'-P energy: -134.083 bonds (distance) P-C4' energy: -143.594 flat angles C4'-P-C4' energy: -158.583 flat angles P-C4'-P energy: -110.311 tors. eta vs tors. theta energy: -223.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2425.682837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.682837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.682837 (E_RNA) where: Base-Base interactions energy: -1731.721 where: short stacking energy: -717.702 Base-Backbone interact. energy: 3.258 local terms energy: -697.219937 where: bonds (distance) C4'-P energy: -106.300 bonds (distance) P-C4' energy: -118.017 flat angles C4'-P-C4' energy: -149.989 flat angles P-C4'-P energy: -99.396 tors. eta vs tors. theta energy: -223.518 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: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2337.246362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.246362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.246362 (E_RNA) where: Base-Base interactions energy: -1633.986 where: short stacking energy: -677.057 Base-Backbone interact. energy: -3.923 local terms energy: -699.337396 where: bonds (distance) C4'-P energy: -127.575 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -154.535 flat angles P-C4'-P energy: -96.625 tors. eta vs tors. theta energy: -195.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2214.076685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.076685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.076685 (E_RNA) where: Base-Base interactions energy: -1548.443 where: short stacking energy: -640.698 Base-Backbone interact. energy: -2.113 local terms energy: -663.520312 where: bonds (distance) C4'-P energy: -117.287 bonds (distance) P-C4' energy: -110.222 flat angles C4'-P-C4' energy: -151.434 flat angles P-C4'-P energy: -94.396 tors. eta vs tors. theta energy: -190.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2100.686070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.686070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.686070 (E_RNA) where: Base-Base interactions energy: -1441.978 where: short stacking energy: -595.290 Base-Backbone interact. energy: -3.392 local terms energy: -655.316210 where: bonds (distance) C4'-P energy: -123.083 bonds (distance) P-C4' energy: -122.251 flat angles C4'-P-C4' energy: -144.524 flat angles P-C4'-P energy: -95.506 tors. eta vs tors. theta energy: -169.952 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: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1972.800085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.800085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.800085 (E_RNA) where: Base-Base interactions energy: -1390.338 where: short stacking energy: -582.861 Base-Backbone interact. energy: 0.294 local terms energy: -582.756306 where: bonds (distance) C4'-P energy: -93.757 bonds (distance) P-C4' energy: -109.379 flat angles C4'-P-C4' energy: -132.292 flat angles P-C4'-P energy: -85.426 tors. eta vs tors. theta energy: -161.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1492.859907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.859907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.859907 (E_RNA) where: Base-Base interactions energy: -967.090 where: short stacking energy: -435.979 Base-Backbone interact. energy: -1.707 local terms energy: -524.062890 where: bonds (distance) C4'-P energy: -120.685 bonds (distance) P-C4' energy: -133.321 flat angles C4'-P-C4' energy: -106.478 flat angles P-C4'-P energy: -62.249 tors. eta vs tors. theta energy: -101.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1310.710126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.710126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.710126 (E_RNA) where: Base-Base interactions energy: -841.990 where: short stacking energy: -367.933 Base-Backbone interact. energy: 4.842 local terms energy: -473.561213 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -114.250 flat angles C4'-P-C4' energy: -110.338 flat angles P-C4'-P energy: -65.957 tors. eta vs tors. theta energy: -68.744 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: 182 Temperature: 1.350000 Total energy: -891.727926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.727926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.727926 (E_RNA) where: Base-Base interactions energy: -519.194 where: short stacking energy: -237.112 Base-Backbone interact. energy: 8.120 local terms energy: -380.653577 where: bonds (distance) C4'-P energy: -108.974 bonds (distance) P-C4' energy: -98.512 flat angles C4'-P-C4' energy: -89.596 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2573.817923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.817923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.817923 (E_RNA) where: Base-Base interactions energy: -1816.927 where: short stacking energy: -734.658 Base-Backbone interact. energy: -1.828 local terms energy: -755.062337 where: bonds (distance) C4'-P energy: -134.145 bonds (distance) P-C4' energy: -129.506 flat angles C4'-P-C4' energy: -156.503 flat angles P-C4'-P energy: -108.594 tors. eta vs tors. theta energy: -226.315 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: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2504.075091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.075091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.075091 (E_RNA) where: Base-Base interactions energy: -1756.221 where: short stacking energy: -725.794 Base-Backbone interact. energy: -1.673 local terms energy: -746.181221 where: bonds (distance) C4'-P energy: -131.992 bonds (distance) P-C4' energy: -122.871 flat angles C4'-P-C4' energy: -163.470 flat angles P-C4'-P energy: -105.885 tors. eta vs tors. theta energy: -221.964 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: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2443.476330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.476330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.476330 (E_RNA) where: Base-Base interactions energy: -1717.461 where: short stacking energy: -722.203 Base-Backbone interact. energy: -2.883 local terms energy: -723.133098 where: bonds (distance) C4'-P energy: -117.361 bonds (distance) P-C4' energy: -141.032 flat angles C4'-P-C4' energy: -144.227 flat angles P-C4'-P energy: -105.703 tors. eta vs tors. theta energy: -214.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2297.465058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.465058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.465058 (E_RNA) where: Base-Base interactions energy: -1601.835 where: short stacking energy: -646.410 Base-Backbone interact. energy: 1.565 local terms energy: -697.194787 where: bonds (distance) C4'-P energy: -122.163 bonds (distance) P-C4' energy: -129.502 flat angles C4'-P-C4' energy: -150.249 flat angles P-C4'-P energy: -102.588 tors. eta vs tors. theta energy: -192.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2204.636624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.636624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.636624 (E_RNA) where: Base-Base interactions energy: -1545.911 where: short stacking energy: -635.538 Base-Backbone interact. energy: -2.469 local terms energy: -656.256256 where: bonds (distance) C4'-P energy: -119.248 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -131.716 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -181.506 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: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2040.792627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.792627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.792627 (E_RNA) where: Base-Base interactions energy: -1434.474 where: short stacking energy: -586.444 Base-Backbone interact. energy: -5.765 local terms energy: -600.553617 where: bonds (distance) C4'-P energy: -101.906 bonds (distance) P-C4' energy: -121.514 flat angles C4'-P-C4' energy: -118.981 flat angles P-C4'-P energy: -88.337 tors. eta vs tors. theta energy: -169.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1984.543853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.543853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.543853 (E_RNA) where: Base-Base interactions energy: -1394.376 where: short stacking energy: -596.776 Base-Backbone interact. energy: -1.854 local terms energy: -588.314554 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -114.894 flat angles C4'-P-C4' energy: -135.901 flat angles P-C4'-P energy: -84.311 tors. eta vs tors. theta energy: -153.155 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: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1539.944231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.944231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.944231 (E_RNA) where: Base-Base interactions energy: -1027.443 where: short stacking energy: -474.671 Base-Backbone interact. energy: 2.441 local terms energy: -514.941601 where: bonds (distance) C4'-P energy: -100.491 bonds (distance) P-C4' energy: -114.120 flat angles C4'-P-C4' energy: -107.080 flat angles P-C4'-P energy: -67.230 tors. eta vs tors. theta energy: -126.020 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: 5 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1261.491656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.491656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.491656 (E_RNA) where: Base-Base interactions energy: -814.996 where: short stacking energy: -354.735 Base-Backbone interact. energy: -0.290 local terms energy: -446.206096 where: bonds (distance) C4'-P energy: -92.289 bonds (distance) P-C4' energy: -107.216 flat angles C4'-P-C4' energy: -111.470 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -61.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -906.646844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.646844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.646844 (E_RNA) where: Base-Base interactions energy: -504.768 where: short stacking energy: -265.694 Base-Backbone interact. energy: -2.987 local terms energy: -398.891613 where: bonds (distance) C4'-P energy: -88.506 bonds (distance) P-C4' energy: -118.965 flat angles C4'-P-C4' energy: -111.352 flat angles P-C4'-P energy: -63.535 tors. eta vs tors. theta energy: -16.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2581.437378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.437378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.437378 (E_RNA) where: Base-Base interactions energy: -1827.544 where: short stacking energy: -772.222 Base-Backbone interact. energy: -1.884 local terms energy: -752.008631 where: bonds (distance) C4'-P energy: -133.647 bonds (distance) P-C4' energy: -144.373 flat angles C4'-P-C4' energy: -156.940 flat angles P-C4'-P energy: -91.524 tors. eta vs tors. theta energy: -225.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2527.082426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.082426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.082426 (E_RNA) where: Base-Base interactions energy: -1760.163 where: short stacking energy: -731.846 Base-Backbone interact. energy: -3.656 local terms energy: -763.264244 where: bonds (distance) C4'-P energy: -131.951 bonds (distance) P-C4' energy: -131.599 flat angles C4'-P-C4' energy: -157.201 flat angles P-C4'-P energy: -112.565 tors. eta vs tors. theta energy: -229.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2428.189495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.189495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.189495 (E_RNA) where: Base-Base interactions energy: -1671.827 where: short stacking energy: -704.818 Base-Backbone interact. energy: -1.862 local terms energy: -754.500625 where: bonds (distance) C4'-P energy: -138.929 bonds (distance) P-C4' energy: -127.952 flat angles C4'-P-C4' energy: -146.475 flat angles P-C4'-P energy: -120.114 tors. eta vs tors. theta energy: -221.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2372.078502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.078502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.078502 (E_RNA) where: Base-Base interactions energy: -1640.283 where: short stacking energy: -672.534 Base-Backbone interact. energy: -2.300 local terms energy: -729.495078 where: bonds (distance) C4'-P energy: -136.448 bonds (distance) P-C4' energy: -133.277 flat angles C4'-P-C4' energy: -151.887 flat angles P-C4'-P energy: -104.398 tors. eta vs tors. theta energy: -203.485 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: 5, replica: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2232.680651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.680651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.680651 (E_RNA) where: Base-Base interactions energy: -1563.868 where: short stacking energy: -645.036 Base-Backbone interact. energy: 0.111 local terms energy: -668.923058 where: bonds (distance) C4'-P energy: -122.174 bonds (distance) P-C4' energy: -120.343 flat angles C4'-P-C4' energy: -137.336 flat angles P-C4'-P energy: -101.446 tors. eta vs tors. theta energy: -187.624 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: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2064.134883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.134883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.134883 (E_RNA) where: Base-Base interactions energy: -1438.149 where: short stacking energy: -608.968 Base-Backbone interact. energy: -0.827 local terms energy: -625.158394 where: bonds (distance) C4'-P energy: -103.152 bonds (distance) P-C4' energy: -117.742 flat angles C4'-P-C4' energy: -130.587 flat angles P-C4'-P energy: -96.155 tors. eta vs tors. theta energy: -177.523 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: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1978.927984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.927984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.927984 (E_RNA) where: Base-Base interactions energy: -1435.167 where: short stacking energy: -555.237 Base-Backbone interact. energy: -0.038 local terms energy: -543.722574 where: bonds (distance) C4'-P energy: -102.539 bonds (distance) P-C4' energy: -102.502 flat angles C4'-P-C4' energy: -124.847 flat angles P-C4'-P energy: -73.688 tors. eta vs tors. theta energy: -140.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1537.214522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.214522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.214522 (E_RNA) where: Base-Base interactions energy: -1011.939 where: short stacking energy: -444.305 Base-Backbone interact. energy: -0.491 local terms energy: -524.785033 where: bonds (distance) C4'-P energy: -117.022 bonds (distance) P-C4' energy: -113.192 flat angles C4'-P-C4' energy: -120.499 flat angles P-C4'-P energy: -61.776 tors. eta vs tors. theta energy: -112.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1263.742853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.742853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.742853 (E_RNA) where: Base-Base interactions energy: -800.437 where: short stacking energy: -361.966 Base-Backbone interact. energy: 0.881 local terms energy: -464.187429 where: bonds (distance) C4'-P energy: -101.941 bonds (distance) P-C4' energy: -102.809 flat angles C4'-P-C4' energy: -112.757 flat angles P-C4'-P energy: -68.342 tors. eta vs tors. theta energy: -78.339 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: 184 Temperature: 1.350000 Total energy: -913.501818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.501818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.501818 (E_RNA) where: Base-Base interactions energy: -506.366 where: short stacking energy: -247.153 Base-Backbone interact. energy: -0.644 local terms energy: -406.491403 where: bonds (distance) C4'-P energy: -93.122 bonds (distance) P-C4' energy: -104.979 flat angles C4'-P-C4' energy: -117.595 flat angles P-C4'-P energy: -63.623 tors. eta vs tors. theta energy: -27.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2553.184777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.184777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.184777 (E_RNA) where: Base-Base interactions energy: -1794.653 where: short stacking energy: -752.013 Base-Backbone interact. energy: -2.721 local terms energy: -755.810581 where: bonds (distance) C4'-P energy: -120.820 bonds (distance) P-C4' energy: -127.578 flat angles C4'-P-C4' energy: -160.207 flat angles P-C4'-P energy: -118.920 tors. eta vs tors. theta energy: -228.286 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: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2541.810100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.810100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.810100 (E_RNA) where: Base-Base interactions energy: -1790.994 where: short stacking energy: -751.949 Base-Backbone interact. energy: -1.428 local terms energy: -749.388691 where: bonds (distance) C4'-P energy: -132.540 bonds (distance) P-C4' energy: -125.193 flat angles C4'-P-C4' energy: -157.251 flat angles P-C4'-P energy: -104.193 tors. eta vs tors. theta energy: -230.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2456.415790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.415790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.415790 (E_RNA) where: Base-Base interactions energy: -1747.870 where: short stacking energy: -709.516 Base-Backbone interact. energy: -0.088 local terms energy: -708.457545 where: bonds (distance) C4'-P energy: -109.577 bonds (distance) P-C4' energy: -128.656 flat angles C4'-P-C4' energy: -147.421 flat angles P-C4'-P energy: -104.970 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: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2372.577389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.577389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.577389 (E_RNA) where: Base-Base interactions energy: -1673.523 where: short stacking energy: -703.723 Base-Backbone interact. energy: 0.158 local terms energy: -699.212480 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -126.376 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -104.668 tors. eta vs tors. theta energy: -212.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2166.911837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.911837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.911837 (E_RNA) where: Base-Base interactions energy: -1522.985 where: short stacking energy: -620.481 Base-Backbone interact. energy: 0.938 local terms energy: -644.865210 where: bonds (distance) C4'-P energy: -114.109 bonds (distance) P-C4' energy: -121.785 flat angles C4'-P-C4' energy: -143.774 flat angles P-C4'-P energy: -91.168 tors. eta vs tors. theta energy: -174.030 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: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2065.680586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.680586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.680586 (E_RNA) where: Base-Base interactions energy: -1464.677 where: short stacking energy: -618.301 Base-Backbone interact. energy: -2.258 local terms energy: -598.745098 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -131.416 flat angles P-C4'-P energy: -73.700 tors. eta vs tors. theta energy: -180.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1973.903716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.903716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.903716 (E_RNA) where: Base-Base interactions energy: -1365.395 where: short stacking energy: -561.190 Base-Backbone interact. energy: -2.341 local terms energy: -606.167814 where: bonds (distance) C4'-P energy: -115.632 bonds (distance) P-C4' energy: -116.368 flat angles C4'-P-C4' energy: -136.992 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -141.836 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: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1565.830078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.830078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.830078 (E_RNA) where: Base-Base interactions energy: -1039.314 where: short stacking energy: -455.226 Base-Backbone interact. energy: -0.197 local terms energy: -526.318918 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -122.051 flat angles C4'-P-C4' energy: -109.271 flat angles P-C4'-P energy: -71.936 tors. eta vs tors. theta energy: -109.606 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: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1190.776651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.776651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.776651 (E_RNA) where: Base-Base interactions energy: -743.186 where: short stacking energy: -341.091 Base-Backbone interact. energy: -3.146 local terms energy: -444.445469 where: bonds (distance) C4'-P energy: -115.367 bonds (distance) P-C4' energy: -116.645 flat angles C4'-P-C4' energy: -98.695 flat angles P-C4'-P energy: -73.609 tors. eta vs tors. theta energy: -40.129 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: 185 Temperature: 1.350000 Total energy: -961.570497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.570497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.570497 (E_RNA) where: Base-Base interactions energy: -572.720 where: short stacking energy: -278.835 Base-Backbone interact. energy: 1.918 local terms energy: -390.768763 where: bonds (distance) C4'-P energy: -101.763 bonds (distance) P-C4' energy: -95.124 flat angles C4'-P-C4' energy: -114.958 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: -14.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2609.063745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.063745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.063745 (E_RNA) where: Base-Base interactions energy: -1830.423 where: short stacking energy: -762.234 Base-Backbone interact. energy: -1.466 local terms energy: -777.174884 where: bonds (distance) C4'-P energy: -135.810 bonds (distance) P-C4' energy: -138.495 flat angles C4'-P-C4' energy: -158.062 flat angles P-C4'-P energy: -116.304 tors. eta vs tors. theta energy: -228.504 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: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2529.968582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.968582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.968582 (E_RNA) where: Base-Base interactions energy: -1772.879 where: short stacking energy: -743.325 Base-Backbone interact. energy: -1.412 local terms energy: -755.678132 where: bonds (distance) C4'-P energy: -135.477 bonds (distance) P-C4' energy: -131.054 flat angles C4'-P-C4' energy: -156.503 flat angles P-C4'-P energy: -104.993 tors. eta vs tors. theta energy: -227.652 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: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2459.147630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.147630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.147630 (E_RNA) where: Base-Base interactions energy: -1731.481 where: short stacking energy: -726.319 Base-Backbone interact. energy: -1.840 local terms energy: -725.825767 where: bonds (distance) C4'-P energy: -109.619 bonds (distance) P-C4' energy: -140.893 flat angles C4'-P-C4' energy: -148.141 flat angles P-C4'-P energy: -105.826 tors. eta vs tors. theta energy: -221.346 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: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2337.356969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.356969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.356969 (E_RNA) where: Base-Base interactions energy: -1666.613 where: short stacking energy: -659.800 Base-Backbone interact. energy: -4.197 local terms energy: -666.547332 where: bonds (distance) C4'-P energy: -124.099 bonds (distance) P-C4' energy: -109.580 flat angles C4'-P-C4' energy: -156.372 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -188.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2173.708075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.708075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.708075 (E_RNA) where: Base-Base interactions energy: -1523.965 where: short stacking energy: -612.907 Base-Backbone interact. energy: -4.138 local terms energy: -645.605349 where: bonds (distance) C4'-P energy: -102.926 bonds (distance) P-C4' energy: -114.528 flat angles C4'-P-C4' energy: -147.390 flat angles P-C4'-P energy: -103.098 tors. eta vs tors. theta energy: -177.663 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: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2037.794738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.794738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.794738 (E_RNA) where: Base-Base interactions energy: -1428.639 where: short stacking energy: -599.865 Base-Backbone interact. energy: -2.469 local terms energy: -606.686930 where: bonds (distance) C4'-P energy: -103.133 bonds (distance) P-C4' energy: -125.546 flat angles C4'-P-C4' energy: -127.288 flat angles P-C4'-P energy: -76.954 tors. eta vs tors. theta energy: -173.767 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: 186 Temperature: 1.200000 Total energy: -1934.261081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.261081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.261081 (E_RNA) where: Base-Base interactions energy: -1332.870 where: short stacking energy: -568.395 Base-Backbone interact. energy: -0.357 local terms energy: -601.034900 where: bonds (distance) C4'-P energy: -114.195 bonds (distance) P-C4' energy: -105.338 flat angles C4'-P-C4' energy: -135.439 flat angles P-C4'-P energy: -94.024 tors. eta vs tors. theta energy: -152.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1544.705054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.705054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.705054 (E_RNA) where: Base-Base interactions energy: -1025.715 where: short stacking energy: -433.186 Base-Backbone interact. energy: 1.948 local terms energy: -520.937791 where: bonds (distance) C4'-P energy: -111.238 bonds (distance) P-C4' energy: -110.012 flat angles C4'-P-C4' energy: -116.734 flat angles P-C4'-P energy: -90.169 tors. eta vs tors. theta energy: -92.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1214.919256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.919256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.919256 (E_RNA) where: Base-Base interactions energy: -766.921 where: short stacking energy: -347.921 Base-Backbone interact. energy: -3.031 local terms energy: -444.967161 where: bonds (distance) C4'-P energy: -101.152 bonds (distance) P-C4' energy: -116.041 flat angles C4'-P-C4' energy: -114.569 flat angles P-C4'-P energy: -59.960 tors. eta vs tors. theta energy: -53.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -926.841801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.841801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.841801 (E_RNA) where: Base-Base interactions energy: -529.050 where: short stacking energy: -261.903 Base-Backbone interact. energy: -2.125 local terms energy: -395.666307 where: bonds (distance) C4'-P energy: -106.124 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -88.794 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -16.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2619.928987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.928987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.928987 (E_RNA) where: Base-Base interactions energy: -1850.446 where: short stacking energy: -760.170 Base-Backbone interact. energy: -0.203 local terms energy: -769.279249 where: bonds (distance) C4'-P energy: -131.593 bonds (distance) P-C4' energy: -130.841 flat angles C4'-P-C4' energy: -156.242 flat angles P-C4'-P energy: -116.033 tors. eta vs tors. theta energy: -234.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2525.103171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.103171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.103171 (E_RNA) where: Base-Base interactions energy: -1776.839 where: short stacking energy: -728.656 Base-Backbone interact. energy: 1.380 local terms energy: -749.644296 where: bonds (distance) C4'-P energy: -125.650 bonds (distance) P-C4' energy: -145.472 flat angles C4'-P-C4' energy: -158.230 flat angles P-C4'-P energy: -104.976 tors. eta vs tors. theta energy: -215.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2444.250957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.250957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.250957 (E_RNA) where: Base-Base interactions energy: -1735.818 where: short stacking energy: -709.417 Base-Backbone interact. energy: -2.146 local terms energy: -706.287246 where: bonds (distance) C4'-P energy: -121.001 bonds (distance) P-C4' energy: -127.016 flat angles C4'-P-C4' energy: -137.994 flat angles P-C4'-P energy: -105.723 tors. eta vs tors. theta energy: -214.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2350.349767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.349767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.349767 (E_RNA) where: Base-Base interactions energy: -1671.710 where: short stacking energy: -688.422 Base-Backbone interact. energy: -2.086 local terms energy: -676.553908 where: bonds (distance) C4'-P energy: -139.898 bonds (distance) P-C4' energy: -111.954 flat angles C4'-P-C4' energy: -133.900 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -196.408 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: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2226.363158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.363158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.363158 (E_RNA) where: Base-Base interactions energy: -1572.544 where: short stacking energy: -657.513 Base-Backbone interact. energy: 6.394 local terms energy: -660.212544 where: bonds (distance) C4'-P energy: -124.382 bonds (distance) P-C4' energy: -119.226 flat angles C4'-P-C4' energy: -141.182 flat angles P-C4'-P energy: -90.088 tors. eta vs tors. theta energy: -185.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2038.781205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.781205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.781205 (E_RNA) where: Base-Base interactions energy: -1427.006 where: short stacking energy: -598.812 Base-Backbone interact. energy: -2.237 local terms energy: -609.538344 where: bonds (distance) C4'-P energy: -97.171 bonds (distance) P-C4' energy: -122.994 flat angles C4'-P-C4' energy: -126.731 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -175.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1996.545605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.545605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.545605 (E_RNA) where: Base-Base interactions energy: -1395.151 where: short stacking energy: -579.780 Base-Backbone interact. energy: -2.350 local terms energy: -599.044370 where: bonds (distance) C4'-P energy: -112.440 bonds (distance) P-C4' energy: -110.666 flat angles C4'-P-C4' energy: -123.515 flat angles P-C4'-P energy: -92.475 tors. eta vs tors. theta energy: -159.948 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: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1541.738192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.738192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.738192 (E_RNA) where: Base-Base interactions energy: -1026.877 where: short stacking energy: -448.490 Base-Backbone interact. energy: 0.243 local terms energy: -515.104511 where: bonds (distance) C4'-P energy: -103.513 bonds (distance) P-C4' energy: -125.504 flat angles C4'-P-C4' energy: -109.355 flat angles P-C4'-P energy: -65.797 tors. eta vs tors. theta energy: -110.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1258.650594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.650594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.650594 (E_RNA) where: Base-Base interactions energy: -806.122 where: short stacking energy: -367.520 Base-Backbone interact. energy: -1.469 local terms energy: -451.059678 where: bonds (distance) C4'-P energy: -100.943 bonds (distance) P-C4' energy: -94.341 flat angles C4'-P-C4' energy: -117.070 flat angles P-C4'-P energy: -65.919 tors. eta vs tors. theta energy: -72.787 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: 187 Temperature: 1.350000 Total energy: -926.915534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.915534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.915534 (E_RNA) where: Base-Base interactions energy: -511.915 where: short stacking energy: -265.376 Base-Backbone interact. energy: -0.223 local terms energy: -414.777758 where: bonds (distance) C4'-P energy: -110.599 bonds (distance) P-C4' energy: -115.532 flat angles C4'-P-C4' energy: -111.035 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -27.378 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: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2611.656979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.656979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.656979 (E_RNA) where: Base-Base interactions energy: -1855.786 where: short stacking energy: -765.090 Base-Backbone interact. energy: -2.205 local terms energy: -753.665640 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -130.061 flat angles C4'-P-C4' energy: -161.008 flat angles P-C4'-P energy: -110.703 tors. eta vs tors. theta energy: -228.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2514.587211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.587211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.587211 (E_RNA) where: Base-Base interactions energy: -1787.733 where: short stacking energy: -735.167 Base-Backbone interact. energy: -0.332 local terms energy: -726.522020 where: bonds (distance) C4'-P energy: -146.233 bonds (distance) P-C4' energy: -136.081 flat angles C4'-P-C4' energy: -145.702 flat angles P-C4'-P energy: -88.569 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: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2426.836981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.836981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.836981 (E_RNA) where: Base-Base interactions energy: -1727.301 where: short stacking energy: -694.510 Base-Backbone interact. energy: -1.409 local terms energy: -698.127862 where: bonds (distance) C4'-P energy: -112.560 bonds (distance) P-C4' energy: -121.484 flat angles C4'-P-C4' energy: -147.414 flat angles P-C4'-P energy: -104.891 tors. eta vs tors. theta energy: -211.779 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: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2361.518781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.518781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.518781 (E_RNA) where: Base-Base interactions energy: -1659.831 where: short stacking energy: -687.749 Base-Backbone interact. energy: -0.245 local terms energy: -701.443276 where: bonds (distance) C4'-P energy: -124.772 bonds (distance) P-C4' energy: -127.380 flat angles C4'-P-C4' energy: -139.383 flat angles P-C4'-P energy: -100.643 tors. eta vs tors. theta energy: -209.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2240.944592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.944592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.944592 (E_RNA) where: Base-Base interactions energy: -1614.694 where: short stacking energy: -662.212 Base-Backbone interact. energy: -2.356 local terms energy: -623.895393 where: bonds (distance) C4'-P energy: -111.706 bonds (distance) P-C4' energy: -112.798 flat angles C4'-P-C4' energy: -141.101 flat angles P-C4'-P energy: -76.526 tors. eta vs tors. theta energy: -181.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2026.245667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.245667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.245667 (E_RNA) where: Base-Base interactions energy: -1372.283 where: short stacking energy: -560.402 Base-Backbone interact. energy: -0.375 local terms energy: -653.587331 where: bonds (distance) C4'-P energy: -121.352 bonds (distance) P-C4' energy: -128.005 flat angles C4'-P-C4' energy: -132.247 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -167.269 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: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1975.256922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.256922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.256922 (E_RNA) where: Base-Base interactions energy: -1390.932 where: short stacking energy: -554.791 Base-Backbone interact. energy: 1.184 local terms energy: -585.508833 where: bonds (distance) C4'-P energy: -127.078 bonds (distance) P-C4' energy: -115.599 flat angles C4'-P-C4' energy: -117.623 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -152.507 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: 188 Temperature: 1.250000 Total energy: -1607.764953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.764953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.764953 (E_RNA) where: Base-Base interactions energy: -1044.631 where: short stacking energy: -468.797 Base-Backbone interact. energy: -3.778 local terms energy: -559.355882 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -116.314 flat angles C4'-P-C4' energy: -129.412 flat angles P-C4'-P energy: -80.023 tors. eta vs tors. theta energy: -123.055 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: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1246.968730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.968730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.968730 (E_RNA) where: Base-Base interactions energy: -795.044 where: short stacking energy: -357.848 Base-Backbone interact. energy: 0.143 local terms energy: -452.067378 where: bonds (distance) C4'-P energy: -110.435 bonds (distance) P-C4' energy: -104.124 flat angles C4'-P-C4' energy: -112.959 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: -65.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -945.547692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.547692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.547692 (E_RNA) where: Base-Base interactions energy: -548.034 where: short stacking energy: -263.192 Base-Backbone interact. energy: -2.922 local terms energy: -394.592383 where: bonds (distance) C4'-P energy: -102.207 bonds (distance) P-C4' energy: -112.257 flat angles C4'-P-C4' energy: -89.216 flat angles P-C4'-P energy: -66.333 tors. eta vs tors. theta energy: -24.580 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: 189 Temperature: 0.900000 Total energy: -2605.793782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.793782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.793782 (E_RNA) where: Base-Base interactions energy: -1826.914 where: short stacking energy: -748.457 Base-Backbone interact. energy: -2.649 local terms energy: -776.231223 where: bonds (distance) C4'-P energy: -137.623 bonds (distance) P-C4' energy: -133.157 flat angles C4'-P-C4' energy: -157.342 flat angles P-C4'-P energy: -119.252 tors. eta vs tors. theta energy: -228.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2552.650832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.650832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.650832 (E_RNA) where: Base-Base interactions energy: -1805.328 where: short stacking energy: -732.158 Base-Backbone interact. energy: -2.047 local terms energy: -745.275566 where: bonds (distance) C4'-P energy: -127.473 bonds (distance) P-C4' energy: -141.165 flat angles C4'-P-C4' energy: -153.822 flat angles P-C4'-P energy: -105.958 tors. eta vs tors. theta energy: -216.858 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: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2463.177640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.177640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.177640 (E_RNA) where: Base-Base interactions energy: -1736.564 where: short stacking energy: -720.300 Base-Backbone interact. energy: -2.586 local terms energy: -724.027722 where: bonds (distance) C4'-P energy: -125.371 bonds (distance) P-C4' energy: -134.207 flat angles C4'-P-C4' energy: -150.542 flat angles P-C4'-P energy: -109.601 tors. eta vs tors. theta energy: -204.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2371.966529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.966529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.966529 (E_RNA) where: Base-Base interactions energy: -1652.156 where: short stacking energy: -687.557 Base-Backbone interact. energy: -0.056 local terms energy: -719.754853 where: bonds (distance) C4'-P energy: -130.675 bonds (distance) P-C4' energy: -132.564 flat angles C4'-P-C4' energy: -161.697 flat angles P-C4'-P energy: -97.212 tors. eta vs tors. theta energy: -197.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2264.904365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.904365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.904365 (E_RNA) where: Base-Base interactions energy: -1616.062 where: short stacking energy: -645.341 Base-Backbone interact. energy: 0.057 local terms energy: -648.899100 where: bonds (distance) C4'-P energy: -111.214 bonds (distance) P-C4' energy: -113.481 flat angles C4'-P-C4' energy: -144.696 flat angles P-C4'-P energy: -90.219 tors. eta vs tors. theta energy: -189.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2076.196522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.196522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.196522 (E_RNA) where: Base-Base interactions energy: -1474.318 where: short stacking energy: -622.254 Base-Backbone interact. energy: 0.390 local terms energy: -602.268895 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -109.879 flat angles C4'-P-C4' energy: -127.425 flat angles P-C4'-P energy: -94.005 tors. eta vs tors. theta energy: -171.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1970.324595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.324595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.324595 (E_RNA) where: Base-Base interactions energy: -1380.784 where: short stacking energy: -543.223 Base-Backbone interact. energy: 1.116 local terms energy: -590.656277 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -123.542 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -68.997 tors. eta vs tors. theta energy: -153.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1557.731690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.731690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.731690 (E_RNA) where: Base-Base interactions energy: -1031.057 where: short stacking energy: -436.476 Base-Backbone interact. energy: -2.727 local terms energy: -523.947373 where: bonds (distance) C4'-P energy: -109.508 bonds (distance) P-C4' energy: -101.894 flat angles C4'-P-C4' energy: -124.780 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -106.652 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: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1321.590159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.590159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.590159 (E_RNA) where: Base-Base interactions energy: -842.896 where: short stacking energy: -386.403 Base-Backbone interact. energy: -0.249 local terms energy: -478.445003 where: bonds (distance) C4'-P energy: -105.794 bonds (distance) P-C4' energy: -121.646 flat angles C4'-P-C4' energy: -111.994 flat angles P-C4'-P energy: -66.910 tors. eta vs tors. theta energy: -72.101 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: 189 Temperature: 1.350000 Total energy: -993.589866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.589866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.589866 (E_RNA) where: Base-Base interactions energy: -575.370 where: short stacking energy: -268.972 Base-Backbone interact. energy: 2.121 local terms energy: -420.341252 where: bonds (distance) C4'-P energy: -109.142 bonds (distance) P-C4' energy: -107.126 flat angles C4'-P-C4' energy: -112.178 flat angles P-C4'-P energy: -60.580 tors. eta vs tors. theta energy: -31.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2576.211490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.211490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.211490 (E_RNA) where: Base-Base interactions energy: -1827.384 where: short stacking energy: -760.819 Base-Backbone interact. energy: -1.480 local terms energy: -747.346999 where: bonds (distance) C4'-P energy: -130.091 bonds (distance) P-C4' energy: -118.738 flat angles C4'-P-C4' energy: -156.876 flat angles P-C4'-P energy: -118.457 tors. eta vs tors. theta energy: -223.185 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: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2516.132412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.132412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.132412 (E_RNA) where: Base-Base interactions energy: -1793.001 where: short stacking energy: -706.155 Base-Backbone interact. energy: -2.849 local terms energy: -720.281913 where: bonds (distance) C4'-P energy: -129.022 bonds (distance) P-C4' energy: -131.305 flat angles C4'-P-C4' energy: -155.785 flat angles P-C4'-P energy: -105.122 tors. eta vs tors. theta energy: -199.047 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: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2451.498548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.498548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.498548 (E_RNA) where: Base-Base interactions energy: -1718.332 where: short stacking energy: -698.647 Base-Backbone interact. energy: -1.979 local terms energy: -731.186899 where: bonds (distance) C4'-P energy: -132.516 bonds (distance) P-C4' energy: -129.295 flat angles C4'-P-C4' energy: -147.148 flat angles P-C4'-P energy: -104.647 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: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2335.542077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.542077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.542077 (E_RNA) where: Base-Base interactions energy: -1656.906 where: short stacking energy: -673.902 Base-Backbone interact. energy: -0.532 local terms energy: -678.103438 where: bonds (distance) C4'-P energy: -119.516 bonds (distance) P-C4' energy: -119.198 flat angles C4'-P-C4' energy: -136.327 flat angles P-C4'-P energy: -100.374 tors. eta vs tors. theta energy: -202.687 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: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2284.981878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.981878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.981878 (E_RNA) where: Base-Base interactions energy: -1599.125 where: short stacking energy: -644.391 Base-Backbone interact. energy: -1.384 local terms energy: -684.472593 where: bonds (distance) C4'-P energy: -128.022 bonds (distance) P-C4' energy: -121.402 flat angles C4'-P-C4' energy: -140.847 flat angles P-C4'-P energy: -103.479 tors. eta vs tors. theta energy: -190.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2100.011881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.011881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.011881 (E_RNA) where: Base-Base interactions energy: -1467.946 where: short stacking energy: -599.417 Base-Backbone interact. energy: 0.545 local terms energy: -632.611562 where: bonds (distance) C4'-P energy: -116.517 bonds (distance) P-C4' energy: -121.463 flat angles C4'-P-C4' energy: -139.553 flat angles P-C4'-P energy: -80.768 tors. eta vs tors. theta energy: -174.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1999.238950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.238950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.238950 (E_RNA) where: Base-Base interactions energy: -1409.930 where: short stacking energy: -586.834 Base-Backbone interact. energy: -0.247 local terms energy: -589.061453 where: bonds (distance) C4'-P energy: -116.427 bonds (distance) P-C4' energy: -106.067 flat angles C4'-P-C4' energy: -121.211 flat angles P-C4'-P energy: -81.557 tors. eta vs tors. theta energy: -163.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1573.447420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.447420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.447420 (E_RNA) where: Base-Base interactions energy: -1071.684 where: short stacking energy: -465.390 Base-Backbone interact. energy: 3.632 local terms energy: -505.394673 where: bonds (distance) C4'-P energy: -94.202 bonds (distance) P-C4' energy: -87.291 flat angles C4'-P-C4' energy: -116.293 flat angles P-C4'-P energy: -94.557 tors. eta vs tors. theta energy: -113.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1331.363509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.363509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.363509 (E_RNA) where: Base-Base interactions energy: -889.414 where: short stacking energy: -396.535 Base-Backbone interact. energy: 2.391 local terms energy: -444.340717 where: bonds (distance) C4'-P energy: -93.483 bonds (distance) P-C4' energy: -122.687 flat angles C4'-P-C4' energy: -100.972 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -66.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -984.111831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.111831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.111831 (E_RNA) where: Base-Base interactions energy: -566.665 where: short stacking energy: -282.103 Base-Backbone interact. energy: -1.042 local terms energy: -416.404578 where: bonds (distance) C4'-P energy: -92.531 bonds (distance) P-C4' energy: -108.359 flat angles C4'-P-C4' energy: -106.791 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: -46.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2576.160753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.160753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.160753 (E_RNA) where: Base-Base interactions energy: -1774.263 where: short stacking energy: -743.837 Base-Backbone interact. energy: -1.008 local terms energy: -800.889870 where: bonds (distance) C4'-P energy: -142.110 bonds (distance) P-C4' energy: -149.823 flat angles C4'-P-C4' energy: -156.493 flat angles P-C4'-P energy: -118.939 tors. eta vs tors. theta energy: -233.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2533.209953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.209953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.209953 (E_RNA) where: Base-Base interactions energy: -1779.661 where: short stacking energy: -716.862 Base-Backbone interact. energy: -0.854 local terms energy: -752.694901 where: bonds (distance) C4'-P energy: -125.329 bonds (distance) P-C4' energy: -152.629 flat angles C4'-P-C4' energy: -155.511 flat angles P-C4'-P energy: -108.132 tors. eta vs tors. theta energy: -211.093 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: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2452.658746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.658746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.658746 (E_RNA) where: Base-Base interactions energy: -1718.392 where: short stacking energy: -706.214 Base-Backbone interact. energy: -1.812 local terms energy: -732.454703 where: bonds (distance) C4'-P energy: -126.307 bonds (distance) P-C4' energy: -127.277 flat angles C4'-P-C4' energy: -154.495 flat angles P-C4'-P energy: -106.083 tors. eta vs tors. theta energy: -218.293 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: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2360.405425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.405425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.405425 (E_RNA) where: Base-Base interactions energy: -1644.828 where: short stacking energy: -674.897 Base-Backbone interact. energy: -2.829 local terms energy: -712.748671 where: bonds (distance) C4'-P energy: -131.194 bonds (distance) P-C4' energy: -125.526 flat angles C4'-P-C4' energy: -152.952 flat angles P-C4'-P energy: -95.627 tors. eta vs tors. theta energy: -207.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2293.830879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.830879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.830879 (E_RNA) where: Base-Base interactions energy: -1620.695 where: short stacking energy: -680.544 Base-Backbone interact. energy: -1.740 local terms energy: -671.395475 where: bonds (distance) C4'-P energy: -117.942 bonds (distance) P-C4' energy: -117.129 flat angles C4'-P-C4' energy: -136.959 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: -207.118 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: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2180.613100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.613100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.613100 (E_RNA) where: Base-Base interactions energy: -1561.568 where: short stacking energy: -649.167 Base-Backbone interact. energy: 2.984 local terms energy: -622.028607 where: bonds (distance) C4'-P energy: -111.791 bonds (distance) P-C4' energy: -108.505 flat angles C4'-P-C4' energy: -130.387 flat angles P-C4'-P energy: -78.697 tors. eta vs tors. theta energy: -192.648 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: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2051.384398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.384398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.384398 (E_RNA) where: Base-Base interactions energy: -1438.181 where: short stacking energy: -605.469 Base-Backbone interact. energy: -0.772 local terms energy: -612.430913 where: bonds (distance) C4'-P energy: -105.560 bonds (distance) P-C4' energy: -101.237 flat angles C4'-P-C4' energy: -141.601 flat angles P-C4'-P energy: -89.983 tors. eta vs tors. theta energy: -174.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1584.155060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.155060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.155060 (E_RNA) where: Base-Base interactions energy: -1041.654 where: short stacking energy: -440.988 Base-Backbone interact. energy: 1.389 local terms energy: -543.889547 where: bonds (distance) C4'-P energy: -113.959 bonds (distance) P-C4' energy: -131.952 flat angles C4'-P-C4' energy: -114.523 flat angles P-C4'-P energy: -73.875 tors. eta vs tors. theta energy: -109.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1275.494562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.494562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.494562 (E_RNA) where: Base-Base interactions energy: -793.043 where: short stacking energy: -355.770 Base-Backbone interact. energy: -1.575 local terms energy: -480.877298 where: bonds (distance) C4'-P energy: -102.096 bonds (distance) P-C4' energy: -111.357 flat angles C4'-P-C4' energy: -126.087 flat angles P-C4'-P energy: -66.246 tors. eta vs tors. theta energy: -75.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -975.181933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.181933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.181933 (E_RNA) where: Base-Base interactions energy: -560.755 where: short stacking energy: -263.529 Base-Backbone interact. energy: -1.501 local terms energy: -412.925799 where: bonds (distance) C4'-P energy: -112.815 bonds (distance) P-C4' energy: -111.949 flat angles C4'-P-C4' energy: -105.145 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -33.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2598.481066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.481066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.481066 (E_RNA) where: Base-Base interactions energy: -1819.303 where: short stacking energy: -768.449 Base-Backbone interact. energy: -0.512 local terms energy: -778.666230 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -126.805 flat angles C4'-P-C4' energy: -171.484 flat angles P-C4'-P energy: -113.323 tors. eta vs tors. theta energy: -234.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2527.496438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.496438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.496438 (E_RNA) where: Base-Base interactions energy: -1798.341 where: short stacking energy: -735.318 Base-Backbone interact. energy: -1.417 local terms energy: -727.737946 where: bonds (distance) C4'-P energy: -115.671 bonds (distance) P-C4' energy: -138.186 flat angles C4'-P-C4' energy: -151.765 flat angles P-C4'-P energy: -113.337 tors. eta vs tors. theta energy: -208.778 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: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2448.408368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.408368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.408368 (E_RNA) where: Base-Base interactions energy: -1727.844 where: short stacking energy: -725.133 Base-Backbone interact. energy: 1.653 local terms energy: -722.216881 where: bonds (distance) C4'-P energy: -122.260 bonds (distance) P-C4' energy: -125.919 flat angles C4'-P-C4' energy: -145.863 flat angles P-C4'-P energy: -102.193 tors. eta vs tors. theta energy: -225.982 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: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2334.523783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.523783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.523783 (E_RNA) where: Base-Base interactions energy: -1662.149 where: short stacking energy: -677.790 Base-Backbone interact. energy: -1.542 local terms energy: -670.832708 where: bonds (distance) C4'-P energy: -109.639 bonds (distance) P-C4' energy: -117.973 flat angles C4'-P-C4' energy: -150.248 flat angles P-C4'-P energy: -88.732 tors. eta vs tors. theta energy: -204.240 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: 8 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2279.791043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.791043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.791043 (E_RNA) where: Base-Base interactions energy: -1589.648 where: short stacking energy: -655.004 Base-Backbone interact. energy: 1.355 local terms energy: -691.498766 where: bonds (distance) C4'-P energy: -122.258 bonds (distance) P-C4' energy: -130.235 flat angles C4'-P-C4' energy: -138.808 flat angles P-C4'-P energy: -95.902 tors. eta vs tors. theta energy: -204.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2174.157518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.157518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.157518 (E_RNA) where: Base-Base interactions energy: -1513.568 where: short stacking energy: -614.567 Base-Backbone interact. energy: -4.167 local terms energy: -656.422882 where: bonds (distance) C4'-P energy: -113.457 bonds (distance) P-C4' energy: -109.503 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -105.322 tors. eta vs tors. theta energy: -181.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1985.533468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.533468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.533468 (E_RNA) where: Base-Base interactions energy: -1394.343 where: short stacking energy: -566.375 Base-Backbone interact. energy: -1.410 local terms energy: -589.779874 where: bonds (distance) C4'-P energy: -104.412 bonds (distance) P-C4' energy: -116.894 flat angles C4'-P-C4' energy: -121.537 flat angles P-C4'-P energy: -85.152 tors. eta vs tors. theta energy: -161.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1516.172759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.172759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.172759 (E_RNA) where: Base-Base interactions energy: -1004.198 where: short stacking energy: -414.997 Base-Backbone interact. energy: -2.426 local terms energy: -509.548966 where: bonds (distance) C4'-P energy: -104.775 bonds (distance) P-C4' energy: -102.151 flat angles C4'-P-C4' energy: -134.833 flat angles P-C4'-P energy: -78.851 tors. eta vs tors. theta energy: -88.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1340.556018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.556018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.556018 (E_RNA) where: Base-Base interactions energy: -838.488 where: short stacking energy: -373.589 Base-Backbone interact. energy: -1.365 local terms energy: -500.702832 where: bonds (distance) C4'-P energy: -107.144 bonds (distance) P-C4' energy: -106.690 flat angles C4'-P-C4' energy: -125.148 flat angles P-C4'-P energy: -83.843 tors. eta vs tors. theta energy: -77.877 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: 192 Temperature: 1.350000 Total energy: -1028.596756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.596756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.596756 (E_RNA) where: Base-Base interactions energy: -633.207 where: short stacking energy: -321.259 Base-Backbone interact. energy: 0.589 local terms energy: -395.978126 where: bonds (distance) C4'-P energy: -87.108 bonds (distance) P-C4' energy: -107.221 flat angles C4'-P-C4' energy: -102.609 flat angles P-C4'-P energy: -46.128 tors. eta vs tors. theta energy: -52.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2593.994342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.994342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.994342 (E_RNA) where: Base-Base interactions energy: -1829.301 where: short stacking energy: -767.508 Base-Backbone interact. energy: -4.599 local terms energy: -760.094210 where: bonds (distance) C4'-P energy: -138.588 bonds (distance) P-C4' energy: -128.036 flat angles C4'-P-C4' energy: -157.577 flat angles P-C4'-P energy: -104.693 tors. eta vs tors. theta energy: -231.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2539.002857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.002857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.002857 (E_RNA) where: Base-Base interactions energy: -1785.798 where: short stacking energy: -722.681 Base-Backbone interact. energy: -2.789 local terms energy: -750.416422 where: bonds (distance) C4'-P energy: -129.826 bonds (distance) P-C4' energy: -129.020 flat angles C4'-P-C4' energy: -157.366 flat angles P-C4'-P energy: -118.938 tors. eta vs tors. theta energy: -215.267 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: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2433.203557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.203557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.203557 (E_RNA) where: Base-Base interactions energy: -1698.504 where: short stacking energy: -716.187 Base-Backbone interact. energy: -0.228 local terms energy: -734.471105 where: bonds (distance) C4'-P energy: -127.817 bonds (distance) P-C4' energy: -132.909 flat angles C4'-P-C4' energy: -149.352 flat angles P-C4'-P energy: -107.764 tors. eta vs tors. theta energy: -216.629 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: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2305.024026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.024026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.024026 (E_RNA) where: Base-Base interactions energy: -1611.249 where: short stacking energy: -666.992 Base-Backbone interact. energy: -2.341 local terms energy: -691.433875 where: bonds (distance) C4'-P energy: -121.473 bonds (distance) P-C4' energy: -129.301 flat angles C4'-P-C4' energy: -147.412 flat angles P-C4'-P energy: -95.393 tors. eta vs tors. theta energy: -197.855 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: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2293.666638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.666638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.666638 (E_RNA) where: Base-Base interactions energy: -1654.144 where: short stacking energy: -673.086 Base-Backbone interact. energy: -3.647 local terms energy: -635.875104 where: bonds (distance) C4'-P energy: -109.976 bonds (distance) P-C4' energy: -114.275 flat angles C4'-P-C4' energy: -140.254 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -188.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2194.584759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.584759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.584759 (E_RNA) where: Base-Base interactions energy: -1561.593 where: short stacking energy: -638.748 Base-Backbone interact. energy: -1.225 local terms energy: -631.767066 where: bonds (distance) C4'-P energy: -111.853 bonds (distance) P-C4' energy: -127.579 flat angles C4'-P-C4' energy: -124.597 flat angles P-C4'-P energy: -87.506 tors. eta vs tors. theta energy: -180.232 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: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1981.657715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.657715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.657715 (E_RNA) where: Base-Base interactions energy: -1392.752 where: short stacking energy: -582.733 Base-Backbone interact. energy: -0.657 local terms energy: -588.248950 where: bonds (distance) C4'-P energy: -93.962 bonds (distance) P-C4' energy: -109.803 flat angles C4'-P-C4' energy: -133.312 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -164.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1588.334107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.334107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.334107 (E_RNA) where: Base-Base interactions energy: -1044.522 where: short stacking energy: -476.303 Base-Backbone interact. energy: 5.114 local terms energy: -548.926146 where: bonds (distance) C4'-P energy: -111.322 bonds (distance) P-C4' energy: -112.565 flat angles C4'-P-C4' energy: -135.059 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -115.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1194.221879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.221879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.221879 (E_RNA) where: Base-Base interactions energy: -736.126 where: short stacking energy: -327.713 Base-Backbone interact. energy: -3.041 local terms energy: -455.054718 where: bonds (distance) C4'-P energy: -104.538 bonds (distance) P-C4' energy: -122.030 flat angles C4'-P-C4' energy: -103.120 flat angles P-C4'-P energy: -72.431 tors. eta vs tors. theta energy: -52.935 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: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -980.326985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.326985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.326985 (E_RNA) where: Base-Base interactions energy: -574.615 where: short stacking energy: -281.440 Base-Backbone interact. energy: 1.691 local terms energy: -407.403063 where: bonds (distance) C4'-P energy: -107.390 bonds (distance) P-C4' energy: -103.687 flat angles C4'-P-C4' energy: -88.651 flat angles P-C4'-P energy: -72.095 tors. eta vs tors. theta energy: -35.580 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: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2577.571036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.571036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.571036 (E_RNA) where: Base-Base interactions energy: -1834.801 where: short stacking energy: -773.940 Base-Backbone interact. energy: -1.001 local terms energy: -741.769529 where: bonds (distance) C4'-P energy: -122.863 bonds (distance) P-C4' energy: -132.193 flat angles C4'-P-C4' energy: -159.013 flat angles P-C4'-P energy: -102.945 tors. eta vs tors. theta energy: -224.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2579.843690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.843690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.843690 (E_RNA) where: Base-Base interactions energy: -1836.476 where: short stacking energy: -740.249 Base-Backbone interact. energy: -1.121 local terms energy: -742.247389 where: bonds (distance) C4'-P energy: -123.034 bonds (distance) P-C4' energy: -119.461 flat angles C4'-P-C4' energy: -158.019 flat angles P-C4'-P energy: -115.344 tors. eta vs tors. theta energy: -226.390 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: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2443.618961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.618961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.618961 (E_RNA) where: Base-Base interactions energy: -1716.470 where: short stacking energy: -715.248 Base-Backbone interact. energy: 0.074 local terms energy: -727.222769 where: bonds (distance) C4'-P energy: -133.403 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -144.472 flat angles P-C4'-P energy: -107.360 tors. eta vs tors. theta energy: -219.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2343.361905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.361905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.361905 (E_RNA) where: Base-Base interactions energy: -1655.725 where: short stacking energy: -656.840 Base-Backbone interact. energy: -3.018 local terms energy: -684.618872 where: bonds (distance) C4'-P energy: -121.655 bonds (distance) P-C4' energy: -131.670 flat angles C4'-P-C4' energy: -131.050 flat angles P-C4'-P energy: -100.843 tors. eta vs tors. theta energy: -199.401 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: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2283.407539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.407539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.407539 (E_RNA) where: Base-Base interactions energy: -1608.468 where: short stacking energy: -645.424 Base-Backbone interact. energy: -1.238 local terms energy: -673.701856 where: bonds (distance) C4'-P energy: -128.159 bonds (distance) P-C4' energy: -109.268 flat angles C4'-P-C4' energy: -144.845 flat angles P-C4'-P energy: -102.240 tors. eta vs tors. theta energy: -189.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2243.884668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.884668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.884668 (E_RNA) where: Base-Base interactions energy: -1588.557 where: short stacking energy: -630.209 Base-Backbone interact. energy: -0.761 local terms energy: -654.566789 where: bonds (distance) C4'-P energy: -113.737 bonds (distance) P-C4' energy: -121.926 flat angles C4'-P-C4' energy: -130.806 flat angles P-C4'-P energy: -100.877 tors. eta vs tors. theta energy: -187.222 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: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1988.992221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.992221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.992221 (E_RNA) where: Base-Base interactions energy: -1409.114 where: short stacking energy: -567.350 Base-Backbone interact. energy: 0.100 local terms energy: -579.978519 where: bonds (distance) C4'-P energy: -100.498 bonds (distance) P-C4' energy: -123.304 flat angles C4'-P-C4' energy: -121.952 flat angles P-C4'-P energy: -72.884 tors. eta vs tors. theta energy: -161.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1528.425465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.425465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.425465 (E_RNA) where: Base-Base interactions energy: -1012.076 where: short stacking energy: -455.233 Base-Backbone interact. energy: -2.288 local terms energy: -514.061418 where: bonds (distance) C4'-P energy: -86.257 bonds (distance) P-C4' energy: -113.073 flat angles C4'-P-C4' energy: -126.711 flat angles P-C4'-P energy: -79.225 tors. eta vs tors. theta energy: -108.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1166.645604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.645604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.645604 (E_RNA) where: Base-Base interactions energy: -713.727 where: short stacking energy: -338.144 Base-Backbone interact. energy: -1.996 local terms energy: -450.922358 where: bonds (distance) C4'-P energy: -117.807 bonds (distance) P-C4' energy: -103.791 flat angles C4'-P-C4' energy: -110.822 flat angles P-C4'-P energy: -69.023 tors. eta vs tors. theta energy: -49.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -948.820446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.820446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.820446 (E_RNA) where: Base-Base interactions energy: -556.234 where: short stacking energy: -270.283 Base-Backbone interact. energy: -1.028 local terms energy: -391.559437 where: bonds (distance) C4'-P energy: -93.084 bonds (distance) P-C4' energy: -107.786 flat angles C4'-P-C4' energy: -103.360 flat angles P-C4'-P energy: -61.976 tors. eta vs tors. theta energy: -25.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2573.256131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.256131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.256131 (E_RNA) where: Base-Base interactions energy: -1825.301 where: short stacking energy: -755.519 Base-Backbone interact. energy: -0.428 local terms energy: -747.527598 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -131.223 flat angles C4'-P-C4' energy: -149.724 flat angles P-C4'-P energy: -107.456 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: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2576.456243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.456243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.456243 (E_RNA) where: Base-Base interactions energy: -1820.514 where: short stacking energy: -765.795 Base-Backbone interact. energy: 2.563 local terms energy: -758.505827 where: bonds (distance) C4'-P energy: -124.274 bonds (distance) P-C4' energy: -142.183 flat angles C4'-P-C4' energy: -158.724 flat angles P-C4'-P energy: -104.440 tors. eta vs tors. theta energy: -228.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2466.088416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.088416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.088416 (E_RNA) where: Base-Base interactions energy: -1753.743 where: short stacking energy: -722.925 Base-Backbone interact. energy: -1.341 local terms energy: -711.004359 where: bonds (distance) C4'-P energy: -109.153 bonds (distance) P-C4' energy: -127.617 flat angles C4'-P-C4' energy: -149.316 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -220.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2325.534100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.534100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.534100 (E_RNA) where: Base-Base interactions energy: -1641.448 where: short stacking energy: -665.730 Base-Backbone interact. energy: -1.493 local terms energy: -682.592668 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -117.718 flat angles C4'-P-C4' energy: -142.957 flat angles P-C4'-P energy: -101.190 tors. eta vs tors. theta energy: -201.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2225.258603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.258603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.258603 (E_RNA) where: Base-Base interactions energy: -1563.587 where: short stacking energy: -641.838 Base-Backbone interact. energy: -2.947 local terms energy: -658.723741 where: bonds (distance) C4'-P energy: -124.598 bonds (distance) P-C4' energy: -123.472 flat angles C4'-P-C4' energy: -146.528 flat angles P-C4'-P energy: -81.428 tors. eta vs tors. theta energy: -182.698 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: 6, replica: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2195.782450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.782450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.782450 (E_RNA) where: Base-Base interactions energy: -1561.266 where: short stacking energy: -643.020 Base-Backbone interact. energy: 1.656 local terms energy: -636.172411 where: bonds (distance) C4'-P energy: -102.594 bonds (distance) P-C4' energy: -118.890 flat angles C4'-P-C4' energy: -145.626 flat angles P-C4'-P energy: -86.122 tors. eta vs tors. theta energy: -182.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1951.750492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.750492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.750492 (E_RNA) where: Base-Base interactions energy: -1354.427 where: short stacking energy: -569.238 Base-Backbone interact. energy: -2.695 local terms energy: -594.628267 where: bonds (distance) C4'-P energy: -97.712 bonds (distance) P-C4' energy: -131.090 flat angles C4'-P-C4' energy: -128.398 flat angles P-C4'-P energy: -80.420 tors. eta vs tors. theta energy: -157.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1531.607653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.607653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.607653 (E_RNA) where: Base-Base interactions energy: -1013.093 where: short stacking energy: -439.302 Base-Backbone interact. energy: -0.279 local terms energy: -518.236303 where: bonds (distance) C4'-P energy: -99.841 bonds (distance) P-C4' energy: -129.027 flat angles C4'-P-C4' energy: -118.060 flat angles P-C4'-P energy: -75.068 tors. eta vs tors. theta energy: -96.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1258.577912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.577912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.577912 (E_RNA) where: Base-Base interactions energy: -834.401 where: short stacking energy: -335.449 Base-Backbone interact. energy: -2.402 local terms energy: -421.775618 where: bonds (distance) C4'-P energy: -86.280 bonds (distance) P-C4' energy: -110.572 flat angles C4'-P-C4' energy: -104.703 flat angles P-C4'-P energy: -59.790 tors. eta vs tors. theta energy: -60.431 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: 195 Temperature: 1.350000 Total energy: -965.324105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.324105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.324105 (E_RNA) where: Base-Base interactions energy: -566.427 where: short stacking energy: -265.707 Base-Backbone interact. energy: -3.039 local terms energy: -395.858536 where: bonds (distance) C4'-P energy: -91.076 bonds (distance) P-C4' energy: -122.294 flat angles C4'-P-C4' energy: -109.312 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -25.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2566.197669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.197669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.197669 (E_RNA) where: Base-Base interactions energy: -1804.745 where: short stacking energy: -754.817 Base-Backbone interact. energy: -2.155 local terms energy: -759.297223 where: bonds (distance) C4'-P energy: -141.830 bonds (distance) P-C4' energy: -129.407 flat angles C4'-P-C4' energy: -152.218 flat angles P-C4'-P energy: -108.713 tors. eta vs tors. theta energy: -227.130 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: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2550.597213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.597213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.597213 (E_RNA) where: Base-Base interactions energy: -1806.627 where: short stacking energy: -735.055 Base-Backbone interact. energy: -1.550 local terms energy: -742.420422 where: bonds (distance) C4'-P energy: -120.551 bonds (distance) P-C4' energy: -133.310 flat angles C4'-P-C4' energy: -153.355 flat angles P-C4'-P energy: -105.117 tors. eta vs tors. theta energy: -230.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2477.021617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.021617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.021617 (E_RNA) where: Base-Base interactions energy: -1736.634 where: short stacking energy: -722.363 Base-Backbone interact. energy: -2.003 local terms energy: -738.383996 where: bonds (distance) C4'-P energy: -127.642 bonds (distance) P-C4' energy: -127.079 flat angles C4'-P-C4' energy: -156.489 flat angles P-C4'-P energy: -110.537 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: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2329.811691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.811691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.811691 (E_RNA) where: Base-Base interactions energy: -1655.234 where: short stacking energy: -685.701 Base-Backbone interact. energy: -3.234 local terms energy: -671.343548 where: bonds (distance) C4'-P energy: -104.940 bonds (distance) P-C4' energy: -131.585 flat angles C4'-P-C4' energy: -149.006 flat angles P-C4'-P energy: -78.545 tors. eta vs tors. theta energy: -207.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2283.066038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.066038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.066038 (E_RNA) where: Base-Base interactions energy: -1618.523 where: short stacking energy: -652.685 Base-Backbone interact. energy: -1.865 local terms energy: -662.677878 where: bonds (distance) C4'-P energy: -121.266 bonds (distance) P-C4' energy: -116.330 flat angles C4'-P-C4' energy: -133.910 flat angles P-C4'-P energy: -89.517 tors. eta vs tors. theta energy: -201.655 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: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2203.463232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.463232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.463232 (E_RNA) where: Base-Base interactions energy: -1585.500 where: short stacking energy: -643.164 Base-Backbone interact. energy: -2.302 local terms energy: -615.661393 where: bonds (distance) C4'-P energy: -103.867 bonds (distance) P-C4' energy: -120.340 flat angles C4'-P-C4' energy: -123.376 flat angles P-C4'-P energy: -87.048 tors. eta vs tors. theta energy: -181.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1946.867098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.867098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.867098 (E_RNA) where: Base-Base interactions energy: -1351.138 where: short stacking energy: -560.443 Base-Backbone interact. energy: -0.894 local terms energy: -594.835405 where: bonds (distance) C4'-P energy: -98.510 bonds (distance) P-C4' energy: -110.863 flat angles C4'-P-C4' energy: -134.280 flat angles P-C4'-P energy: -91.778 tors. eta vs tors. theta energy: -159.405 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: 196 Temperature: 1.250000 Total energy: -1549.577248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.577248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.577248 (E_RNA) where: Base-Base interactions energy: -1032.059 where: short stacking energy: -444.156 Base-Backbone interact. energy: 2.563 local terms energy: -520.080951 where: bonds (distance) C4'-P energy: -110.337 bonds (distance) P-C4' energy: -116.063 flat angles C4'-P-C4' energy: -118.012 flat angles P-C4'-P energy: -73.393 tors. eta vs tors. theta energy: -102.277 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: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1241.090993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.090993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.090993 (E_RNA) where: Base-Base interactions energy: -789.625 where: short stacking energy: -368.871 Base-Backbone interact. energy: 1.009 local terms energy: -452.475361 where: bonds (distance) C4'-P energy: -107.791 bonds (distance) P-C4' energy: -104.336 flat angles C4'-P-C4' energy: -107.327 flat angles P-C4'-P energy: -68.602 tors. eta vs tors. theta energy: -64.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -956.956390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.956390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.956390 (E_RNA) where: Base-Base interactions energy: -582.488 where: short stacking energy: -279.727 Base-Backbone interact. energy: 0.519 local terms energy: -374.987741 where: bonds (distance) C4'-P energy: -100.555 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -105.676 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: -16.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2559.928298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.928298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.928298 (E_RNA) where: Base-Base interactions energy: -1812.441 where: short stacking energy: -745.763 Base-Backbone interact. energy: -3.689 local terms energy: -743.798873 where: bonds (distance) C4'-P energy: -125.697 bonds (distance) P-C4' energy: -141.250 flat angles C4'-P-C4' energy: -155.213 flat angles P-C4'-P energy: -104.682 tors. eta vs tors. theta energy: -216.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2546.692163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.692163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.692163 (E_RNA) where: Base-Base interactions energy: -1805.268 where: short stacking energy: -731.434 Base-Backbone interact. energy: -1.427 local terms energy: -739.997426 where: bonds (distance) C4'-P energy: -129.951 bonds (distance) P-C4' energy: -138.685 flat angles C4'-P-C4' energy: -150.460 flat angles P-C4'-P energy: -97.449 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: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2447.616957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.616957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.616957 (E_RNA) where: Base-Base interactions energy: -1711.718 where: short stacking energy: -730.067 Base-Backbone interact. energy: -1.182 local terms energy: -734.716184 where: bonds (distance) C4'-P energy: -139.655 bonds (distance) P-C4' energy: -137.918 flat angles C4'-P-C4' energy: -144.302 flat angles P-C4'-P energy: -100.493 tors. eta vs tors. theta energy: -212.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2352.567856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.567856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.567856 (E_RNA) where: Base-Base interactions energy: -1653.209 where: short stacking energy: -698.465 Base-Backbone interact. energy: -4.396 local terms energy: -694.963444 where: bonds (distance) C4'-P energy: -106.386 bonds (distance) P-C4' energy: -128.100 flat angles C4'-P-C4' energy: -156.734 flat angles P-C4'-P energy: -104.490 tors. eta vs tors. theta energy: -199.253 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: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2203.459367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.459367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.459367 (E_RNA) where: Base-Base interactions energy: -1543.032 where: short stacking energy: -614.737 Base-Backbone interact. energy: 0.138 local terms energy: -660.564714 where: bonds (distance) C4'-P energy: -124.310 bonds (distance) P-C4' energy: -127.582 flat angles C4'-P-C4' energy: -139.941 flat angles P-C4'-P energy: -92.718 tors. eta vs tors. theta energy: -176.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2201.919988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.919988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.919988 (E_RNA) where: Base-Base interactions energy: -1554.291 where: short stacking energy: -630.045 Base-Backbone interact. energy: 0.799 local terms energy: -648.428035 where: bonds (distance) C4'-P energy: -111.859 bonds (distance) P-C4' energy: -119.573 flat angles C4'-P-C4' energy: -127.600 flat angles P-C4'-P energy: -100.370 tors. eta vs tors. theta energy: -189.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1925.071116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.071116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.071116 (E_RNA) where: Base-Base interactions energy: -1354.140 where: short stacking energy: -572.881 Base-Backbone interact. energy: 2.716 local terms energy: -573.646475 where: bonds (distance) C4'-P energy: -90.033 bonds (distance) P-C4' energy: -127.461 flat angles C4'-P-C4' energy: -118.899 flat angles P-C4'-P energy: -89.511 tors. eta vs tors. theta energy: -147.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1586.641282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.641282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.641282 (E_RNA) where: Base-Base interactions energy: -1039.100 where: short stacking energy: -459.904 Base-Backbone interact. energy: -1.440 local terms energy: -546.101072 where: bonds (distance) C4'-P energy: -102.735 bonds (distance) P-C4' energy: -111.274 flat angles C4'-P-C4' energy: -127.596 flat angles P-C4'-P energy: -78.735 tors. eta vs tors. theta energy: -125.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1255.631797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.631797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.631797 (E_RNA) where: Base-Base interactions energy: -776.548 where: short stacking energy: -344.849 Base-Backbone interact. energy: 7.969 local terms energy: -487.052821 where: bonds (distance) C4'-P energy: -115.950 bonds (distance) P-C4' energy: -120.927 flat angles C4'-P-C4' energy: -109.269 flat angles P-C4'-P energy: -69.575 tors. eta vs tors. theta energy: -71.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -968.085489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.085489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.085489 (E_RNA) where: Base-Base interactions energy: -589.505 where: short stacking energy: -262.721 Base-Backbone interact. energy: 3.870 local terms energy: -382.449959 where: bonds (distance) C4'-P energy: -111.037 bonds (distance) P-C4' energy: -108.251 flat angles C4'-P-C4' energy: -85.401 flat angles P-C4'-P energy: -60.683 tors. eta vs tors. theta energy: -17.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2592.023516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.023516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.023516 (E_RNA) where: Base-Base interactions energy: -1832.412 where: short stacking energy: -759.702 Base-Backbone interact. energy: -1.280 local terms energy: -758.331944 where: bonds (distance) C4'-P energy: -131.696 bonds (distance) P-C4' energy: -140.343 flat angles C4'-P-C4' energy: -154.299 flat angles P-C4'-P energy: -113.927 tors. eta vs tors. theta energy: -218.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2557.659604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.659604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.659604 (E_RNA) where: Base-Base interactions energy: -1785.259 where: short stacking energy: -771.013 Base-Backbone interact. energy: -1.806 local terms energy: -770.594572 where: bonds (distance) C4'-P energy: -130.730 bonds (distance) P-C4' energy: -124.998 flat angles C4'-P-C4' energy: -168.266 flat angles P-C4'-P energy: -111.463 tors. eta vs tors. theta energy: -235.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2471.283596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.283596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.283596 (E_RNA) where: Base-Base interactions energy: -1733.071 where: short stacking energy: -722.153 Base-Backbone interact. energy: -1.360 local terms energy: -736.852031 where: bonds (distance) C4'-P energy: -130.186 bonds (distance) P-C4' energy: -123.148 flat angles C4'-P-C4' energy: -150.718 flat angles P-C4'-P energy: -105.142 tors. eta vs tors. theta energy: -227.657 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: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2348.088883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.088883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.088883 (E_RNA) where: Base-Base interactions energy: -1646.317 where: short stacking energy: -668.262 Base-Backbone interact. energy: 0.625 local terms energy: -702.396300 where: bonds (distance) C4'-P energy: -130.481 bonds (distance) P-C4' energy: -129.425 flat angles C4'-P-C4' energy: -142.137 flat angles P-C4'-P energy: -98.705 tors. eta vs tors. theta energy: -201.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2242.516848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.516848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.516848 (E_RNA) where: Base-Base interactions energy: -1575.947 where: short stacking energy: -656.880 Base-Backbone interact. energy: -2.822 local terms energy: -663.747030 where: bonds (distance) C4'-P energy: -123.992 bonds (distance) P-C4' energy: -113.902 flat angles C4'-P-C4' energy: -140.246 flat angles P-C4'-P energy: -96.036 tors. eta vs tors. theta energy: -189.570 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: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2205.280610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.280610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.280610 (E_RNA) where: Base-Base interactions energy: -1554.779 where: short stacking energy: -629.576 Base-Backbone interact. energy: 2.213 local terms energy: -652.715020 where: bonds (distance) C4'-P energy: -108.828 bonds (distance) P-C4' energy: -116.482 flat angles C4'-P-C4' energy: -143.039 flat angles P-C4'-P energy: -99.820 tors. eta vs tors. theta energy: -184.546 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: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2030.883038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.883038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.883038 (E_RNA) where: Base-Base interactions energy: -1435.768 where: short stacking energy: -590.039 Base-Backbone interact. energy: 1.869 local terms energy: -596.983749 where: bonds (distance) C4'-P energy: -94.833 bonds (distance) P-C4' energy: -117.457 flat angles C4'-P-C4' energy: -130.138 flat angles P-C4'-P energy: -97.650 tors. eta vs tors. theta energy: -156.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1618.181565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.181565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.181565 (E_RNA) where: Base-Base interactions energy: -1055.923 where: short stacking energy: -469.566 Base-Backbone interact. energy: -0.531 local terms energy: -561.726656 where: bonds (distance) C4'-P energy: -108.655 bonds (distance) P-C4' energy: -118.931 flat angles C4'-P-C4' energy: -128.065 flat angles P-C4'-P energy: -83.587 tors. eta vs tors. theta energy: -122.488 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: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1283.167799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.167799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.167799 (E_RNA) where: Base-Base interactions energy: -810.278 where: short stacking energy: -363.584 Base-Backbone interact. energy: -1.463 local terms energy: -471.426803 where: bonds (distance) C4'-P energy: -119.908 bonds (distance) P-C4' energy: -104.575 flat angles C4'-P-C4' energy: -103.739 flat angles P-C4'-P energy: -74.711 tors. eta vs tors. theta energy: -68.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1039.672106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.672106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.672106 (E_RNA) where: Base-Base interactions energy: -629.667 where: short stacking energy: -299.159 Base-Backbone interact. energy: 5.316 local terms energy: -415.321109 where: bonds (distance) C4'-P energy: -97.416 bonds (distance) P-C4' energy: -121.137 flat angles C4'-P-C4' energy: -91.026 flat angles P-C4'-P energy: -71.920 tors. eta vs tors. theta energy: -33.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2574.385411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.385411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.385411 (E_RNA) where: Base-Base interactions energy: -1837.284 where: short stacking energy: -730.632 Base-Backbone interact. energy: -4.712 local terms energy: -732.389551 where: bonds (distance) C4'-P energy: -130.760 bonds (distance) P-C4' energy: -124.801 flat angles C4'-P-C4' energy: -154.658 flat angles P-C4'-P energy: -108.272 tors. eta vs tors. theta energy: -213.899 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: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2536.885373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.885373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.885373 (E_RNA) where: Base-Base interactions energy: -1782.084 where: short stacking energy: -751.936 Base-Backbone interact. energy: -0.245 local terms energy: -754.555722 where: bonds (distance) C4'-P energy: -130.582 bonds (distance) P-C4' energy: -135.053 flat angles C4'-P-C4' energy: -148.138 flat angles P-C4'-P energy: -99.252 tors. eta vs tors. theta energy: -241.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2456.295542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.295542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.295542 (E_RNA) where: Base-Base interactions energy: -1735.926 where: short stacking energy: -735.235 Base-Backbone interact. energy: 0.837 local terms energy: -721.206470 where: bonds (distance) C4'-P energy: -109.677 bonds (distance) P-C4' energy: -133.306 flat angles C4'-P-C4' energy: -152.031 flat angles P-C4'-P energy: -101.529 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: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2362.938993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.938993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.938993 (E_RNA) where: Base-Base interactions energy: -1641.955 where: short stacking energy: -677.557 Base-Backbone interact. energy: -0.154 local terms energy: -720.829894 where: bonds (distance) C4'-P energy: -118.956 bonds (distance) P-C4' energy: -128.469 flat angles C4'-P-C4' energy: -154.738 flat angles P-C4'-P energy: -108.748 tors. eta vs tors. theta energy: -209.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2252.172330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.172330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.172330 (E_RNA) where: Base-Base interactions energy: -1603.264 where: short stacking energy: -617.869 Base-Backbone interact. energy: -2.185 local terms energy: -646.723338 where: bonds (distance) C4'-P energy: -99.856 bonds (distance) P-C4' energy: -126.608 flat angles C4'-P-C4' energy: -141.903 flat angles P-C4'-P energy: -93.912 tors. eta vs tors. theta energy: -184.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2184.756988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.756988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.756988 (E_RNA) where: Base-Base interactions energy: -1509.450 where: short stacking energy: -617.935 Base-Backbone interact. energy: -1.259 local terms energy: -674.048010 where: bonds (distance) C4'-P energy: -122.762 bonds (distance) P-C4' energy: -124.066 flat angles C4'-P-C4' energy: -144.449 flat angles P-C4'-P energy: -95.809 tors. eta vs tors. theta energy: -186.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2019.294679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.294679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.294679 (E_RNA) where: Base-Base interactions energy: -1421.473 where: short stacking energy: -587.170 Base-Backbone interact. energy: 7.492 local terms energy: -605.313876 where: bonds (distance) C4'-P energy: -110.226 bonds (distance) P-C4' energy: -107.596 flat angles C4'-P-C4' energy: -133.203 flat angles P-C4'-P energy: -84.422 tors. eta vs tors. theta energy: -169.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1634.918167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.918167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.918167 (E_RNA) where: Base-Base interactions energy: -1082.693 where: short stacking energy: -506.540 Base-Backbone interact. energy: 1.698 local terms energy: -553.922987 where: bonds (distance) C4'-P energy: -113.677 bonds (distance) P-C4' energy: -109.971 flat angles C4'-P-C4' energy: -129.183 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -120.735 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: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1234.462952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.462952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.462952 (E_RNA) where: Base-Base interactions energy: -782.018 where: short stacking energy: -358.989 Base-Backbone interact. energy: -1.833 local terms energy: -450.612556 where: bonds (distance) C4'-P energy: -103.748 bonds (distance) P-C4' energy: -117.198 flat angles C4'-P-C4' energy: -97.485 flat angles P-C4'-P energy: -60.239 tors. eta vs tors. theta energy: -71.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1026.003873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.003873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.003873 (E_RNA) where: Base-Base interactions energy: -615.803 where: short stacking energy: -278.185 Base-Backbone interact. energy: -1.211 local terms energy: -408.990162 where: bonds (distance) C4'-P energy: -101.052 bonds (distance) P-C4' energy: -112.747 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -64.949 tors. eta vs tors. theta energy: -44.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2582.086326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.086326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.086326 (E_RNA) where: Base-Base interactions energy: -1808.818 where: short stacking energy: -756.616 Base-Backbone interact. energy: -1.778 local terms energy: -771.490561 where: bonds (distance) C4'-P energy: -136.197 bonds (distance) P-C4' energy: -140.665 flat angles C4'-P-C4' energy: -149.919 flat angles P-C4'-P energy: -107.484 tors. eta vs tors. theta energy: -237.226 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: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2564.434039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.434039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.434039 (E_RNA) where: Base-Base interactions energy: -1840.384 where: short stacking energy: -741.946 Base-Backbone interact. energy: 0.425 local terms energy: -724.474511 where: bonds (distance) C4'-P energy: -137.158 bonds (distance) P-C4' energy: -126.777 flat angles C4'-P-C4' energy: -147.204 flat angles P-C4'-P energy: -97.569 tors. eta vs tors. theta energy: -215.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2459.347727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.347727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.347727 (E_RNA) where: Base-Base interactions energy: -1729.130 where: short stacking energy: -729.894 Base-Backbone interact. energy: 2.667 local terms energy: -732.885438 where: bonds (distance) C4'-P energy: -140.565 bonds (distance) P-C4' energy: -109.970 flat angles C4'-P-C4' energy: -150.300 flat angles P-C4'-P energy: -99.922 tors. eta vs tors. theta energy: -232.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2312.415637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.415637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.415637 (E_RNA) where: Base-Base interactions energy: -1597.716 where: short stacking energy: -645.432 Base-Backbone interact. energy: -1.915 local terms energy: -712.784855 where: bonds (distance) C4'-P energy: -140.548 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -146.518 flat angles P-C4'-P energy: -90.414 tors. eta vs tors. theta energy: -204.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2274.907577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.907577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.907577 (E_RNA) where: Base-Base interactions energy: -1605.663 where: short stacking energy: -628.796 Base-Backbone interact. energy: -0.268 local terms energy: -668.976101 where: bonds (distance) C4'-P energy: -117.634 bonds (distance) P-C4' energy: -131.040 flat angles C4'-P-C4' energy: -138.949 flat angles P-C4'-P energy: -101.366 tors. eta vs tors. theta energy: -179.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2235.825268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.825268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.825268 (E_RNA) where: Base-Base interactions energy: -1581.928 where: short stacking energy: -657.257 Base-Backbone interact. energy: -2.141 local terms energy: -651.756863 where: bonds (distance) C4'-P energy: -111.555 bonds (distance) P-C4' energy: -115.010 flat angles C4'-P-C4' energy: -129.298 flat angles P-C4'-P energy: -101.782 tors. eta vs tors. theta energy: -194.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1980.318818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.318818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.318818 (E_RNA) where: Base-Base interactions energy: -1381.268 where: short stacking energy: -586.687 Base-Backbone interact. energy: -2.171 local terms energy: -596.879368 where: bonds (distance) C4'-P energy: -114.151 bonds (distance) P-C4' energy: -120.761 flat angles C4'-P-C4' energy: -142.115 flat angles P-C4'-P energy: -72.412 tors. eta vs tors. theta energy: -147.440 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: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1559.350424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.350424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.350424 (E_RNA) where: Base-Base interactions energy: -1025.526 where: short stacking energy: -432.525 Base-Backbone interact. energy: -3.135 local terms energy: -530.689050 where: bonds (distance) C4'-P energy: -92.563 bonds (distance) P-C4' energy: -133.312 flat angles C4'-P-C4' energy: -115.328 flat angles P-C4'-P energy: -88.232 tors. eta vs tors. theta energy: -101.255 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: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1154.984671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.984671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.984671 (E_RNA) where: Base-Base interactions energy: -701.495 where: short stacking energy: -329.089 Base-Backbone interact. energy: 0.564 local terms energy: -454.054061 where: bonds (distance) C4'-P energy: -93.750 bonds (distance) P-C4' energy: -121.705 flat angles C4'-P-C4' energy: -119.907 flat angles P-C4'-P energy: -68.510 tors. eta vs tors. theta energy: -50.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -955.593452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.593452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.593452 (E_RNA) where: Base-Base interactions energy: -558.211 where: short stacking energy: -282.156 Base-Backbone interact. energy: -1.120 local terms energy: -396.262147 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -115.973 flat angles C4'-P-C4' energy: -87.641 flat angles P-C4'-P energy: -62.236 tors. eta vs tors. theta energy: -43.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2565.734088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.734088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.734088 (E_RNA) where: Base-Base interactions energy: -1797.967 where: short stacking energy: -762.468 Base-Backbone interact. energy: 0.208 local terms energy: -767.975196 where: bonds (distance) C4'-P energy: -134.572 bonds (distance) P-C4' energy: -138.869 flat angles C4'-P-C4' energy: -152.027 flat angles P-C4'-P energy: -104.719 tors. eta vs tors. theta energy: -237.789 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: 201 Temperature: 0.950000 Total energy: -2558.036518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.036518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.036518 (E_RNA) where: Base-Base interactions energy: -1820.397 where: short stacking energy: -753.009 Base-Backbone interact. energy: -0.714 local terms energy: -736.925420 where: bonds (distance) C4'-P energy: -132.249 bonds (distance) P-C4' energy: -134.927 flat angles C4'-P-C4' energy: -145.999 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -219.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2470.020067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.020067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.020067 (E_RNA) where: Base-Base interactions energy: -1750.400 where: short stacking energy: -758.764 Base-Backbone interact. energy: -1.762 local terms energy: -717.857459 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -120.338 flat angles C4'-P-C4' energy: -141.011 flat angles P-C4'-P energy: -103.407 tors. eta vs tors. theta energy: -229.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2332.828652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.828652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.828652 (E_RNA) where: Base-Base interactions energy: -1666.582 where: short stacking energy: -703.373 Base-Backbone interact. energy: -0.681 local terms energy: -665.565418 where: bonds (distance) C4'-P energy: -114.401 bonds (distance) P-C4' energy: -107.862 flat angles C4'-P-C4' energy: -146.149 flat angles P-C4'-P energy: -92.029 tors. eta vs tors. theta energy: -205.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2266.274449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.274449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.274449 (E_RNA) where: Base-Base interactions energy: -1581.638 where: short stacking energy: -646.848 Base-Backbone interact. energy: -0.985 local terms energy: -683.651368 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -131.269 flat angles C4'-P-C4' energy: -141.861 flat angles P-C4'-P energy: -97.521 tors. eta vs tors. theta energy: -190.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2247.538499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.538499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.538499 (E_RNA) where: Base-Base interactions energy: -1606.432 where: short stacking energy: -645.793 Base-Backbone interact. energy: -3.307 local terms energy: -637.799785 where: bonds (distance) C4'-P energy: -109.077 bonds (distance) P-C4' energy: -122.817 flat angles C4'-P-C4' energy: -136.734 flat angles P-C4'-P energy: -87.237 tors. eta vs tors. theta energy: -181.935 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: 201 Temperature: 1.200000 Total energy: -2014.071737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.071737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.071737 (E_RNA) where: Base-Base interactions energy: -1420.705 where: short stacking energy: -572.847 Base-Backbone interact. energy: 4.029 local terms energy: -597.395392 where: bonds (distance) C4'-P energy: -119.100 bonds (distance) P-C4' energy: -107.499 flat angles C4'-P-C4' energy: -130.521 flat angles P-C4'-P energy: -91.999 tors. eta vs tors. theta energy: -148.276 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: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1597.728266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.728266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.728266 (E_RNA) where: Base-Base interactions energy: -1074.499 where: short stacking energy: -476.418 Base-Backbone interact. energy: -1.621 local terms energy: -521.607382 where: bonds (distance) C4'-P energy: -99.510 bonds (distance) P-C4' energy: -105.827 flat angles C4'-P-C4' energy: -116.974 flat angles P-C4'-P energy: -73.323 tors. eta vs tors. theta energy: -125.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1117.173971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.173971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.173971 (E_RNA) where: Base-Base interactions energy: -690.897 where: short stacking energy: -313.836 Base-Backbone interact. energy: 2.348 local terms energy: -428.625251 where: bonds (distance) C4'-P energy: -110.940 bonds (distance) P-C4' energy: -109.367 flat angles C4'-P-C4' energy: -109.341 flat angles P-C4'-P energy: -68.763 tors. eta vs tors. theta energy: -30.214 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: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -882.267152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.267152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.267152 (E_RNA) where: Base-Base interactions energy: -511.003 where: short stacking energy: -248.403 Base-Backbone interact. energy: 1.043 local terms energy: -372.307550 where: bonds (distance) C4'-P energy: -102.076 bonds (distance) P-C4' energy: -99.892 flat angles C4'-P-C4' energy: -89.415 flat angles P-C4'-P energy: -75.677 tors. eta vs tors. theta energy: -5.247 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: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2585.340357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.340357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.340357 (E_RNA) where: Base-Base interactions energy: -1807.231 where: short stacking energy: -776.189 Base-Backbone interact. energy: -1.021 local terms energy: -777.087903 where: bonds (distance) C4'-P energy: -144.566 bonds (distance) P-C4' energy: -135.921 flat angles C4'-P-C4' energy: -152.339 flat angles P-C4'-P energy: -104.178 tors. eta vs tors. theta energy: -240.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2562.225775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.225775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.225775 (E_RNA) where: Base-Base interactions energy: -1801.229 where: short stacking energy: -729.972 Base-Backbone interact. energy: -1.257 local terms energy: -759.740046 where: bonds (distance) C4'-P energy: -142.747 bonds (distance) P-C4' energy: -134.502 flat angles C4'-P-C4' energy: -163.947 flat angles P-C4'-P energy: -107.399 tors. eta vs tors. theta energy: -211.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2499.652024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.652024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.652024 (E_RNA) where: Base-Base interactions energy: -1762.461 where: short stacking energy: -739.454 Base-Backbone interact. energy: -0.455 local terms energy: -736.735626 where: bonds (distance) C4'-P energy: -120.171 bonds (distance) P-C4' energy: -137.628 flat angles C4'-P-C4' energy: -155.476 flat angles P-C4'-P energy: -101.852 tors. eta vs tors. theta energy: -221.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2344.651538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.651538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.651538 (E_RNA) where: Base-Base interactions energy: -1663.840 where: short stacking energy: -690.038 Base-Backbone interact. energy: -1.886 local terms energy: -678.925173 where: bonds (distance) C4'-P energy: -125.852 bonds (distance) P-C4' energy: -114.554 flat angles C4'-P-C4' energy: -141.454 flat angles P-C4'-P energy: -89.806 tors. eta vs tors. theta energy: -207.259 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: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2250.995431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.995431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.995431 (E_RNA) where: Base-Base interactions energy: -1579.546 where: short stacking energy: -663.724 Base-Backbone interact. energy: -1.591 local terms energy: -669.858698 where: bonds (distance) C4'-P energy: -128.110 bonds (distance) P-C4' energy: -122.345 flat angles C4'-P-C4' energy: -134.524 flat angles P-C4'-P energy: -94.678 tors. eta vs tors. theta energy: -190.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2185.858446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.858446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.858446 (E_RNA) where: Base-Base interactions energy: -1538.205 where: short stacking energy: -631.193 Base-Backbone interact. energy: -0.044 local terms energy: -647.609112 where: bonds (distance) C4'-P energy: -112.693 bonds (distance) P-C4' energy: -114.979 flat angles C4'-P-C4' energy: -133.607 flat angles P-C4'-P energy: -103.411 tors. eta vs tors. theta energy: -182.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1912.675988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.675988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.675988 (E_RNA) where: Base-Base interactions energy: -1334.661 where: short stacking energy: -557.887 Base-Backbone interact. energy: -1.599 local terms energy: -576.416436 where: bonds (distance) C4'-P energy: -112.790 bonds (distance) P-C4' energy: -123.823 flat angles C4'-P-C4' energy: -123.772 flat angles P-C4'-P energy: -70.906 tors. eta vs tors. theta energy: -145.125 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: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1552.921932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.921932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.921932 (E_RNA) where: Base-Base interactions energy: -1047.404 where: short stacking energy: -446.112 Base-Backbone interact. energy: -6.127 local terms energy: -499.391507 where: bonds (distance) C4'-P energy: -91.497 bonds (distance) P-C4' energy: -106.694 flat angles C4'-P-C4' energy: -137.651 flat angles P-C4'-P energy: -58.247 tors. eta vs tors. theta energy: -105.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1137.312136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.312136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.312136 (E_RNA) where: Base-Base interactions energy: -716.274 where: short stacking energy: -313.572 Base-Backbone interact. energy: 2.990 local terms energy: -424.027699 where: bonds (distance) C4'-P energy: -110.435 bonds (distance) P-C4' energy: -122.728 flat angles C4'-P-C4' energy: -88.621 flat angles P-C4'-P energy: -57.782 tors. eta vs tors. theta energy: -44.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -931.702010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.702010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.702010 (E_RNA) where: Base-Base interactions energy: -546.390 where: short stacking energy: -278.674 Base-Backbone interact. energy: 7.458 local terms energy: -392.770157 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -111.257 flat angles C4'-P-C4' energy: -100.249 flat angles P-C4'-P energy: -58.606 tors. eta vs tors. theta energy: -34.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2571.204409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.204409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.204409 (E_RNA) where: Base-Base interactions energy: -1791.758 where: short stacking energy: -753.002 Base-Backbone interact. energy: 1.447 local terms energy: -780.893633 where: bonds (distance) C4'-P energy: -132.769 bonds (distance) P-C4' energy: -137.110 flat angles C4'-P-C4' energy: -166.976 flat angles P-C4'-P energy: -113.072 tors. eta vs tors. theta energy: -230.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2575.386802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.386802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.386802 (E_RNA) where: Base-Base interactions energy: -1826.131 where: short stacking energy: -765.631 Base-Backbone interact. energy: -2.570 local terms energy: -746.685584 where: bonds (distance) C4'-P energy: -144.402 bonds (distance) P-C4' energy: -105.094 flat angles C4'-P-C4' energy: -165.232 flat angles P-C4'-P energy: -99.740 tors. eta vs tors. theta energy: -232.218 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: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2453.706324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.706324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.706324 (E_RNA) where: Base-Base interactions energy: -1725.147 where: short stacking energy: -730.870 Base-Backbone interact. energy: -2.880 local terms energy: -725.679074 where: bonds (distance) C4'-P energy: -121.108 bonds (distance) P-C4' energy: -132.188 flat angles C4'-P-C4' energy: -137.836 flat angles P-C4'-P energy: -113.442 tors. eta vs tors. theta energy: -221.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2352.199978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.199978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.199978 (E_RNA) where: Base-Base interactions energy: -1689.798 where: short stacking energy: -690.514 Base-Backbone interact. energy: 1.079 local terms energy: -663.481736 where: bonds (distance) C4'-P energy: -110.128 bonds (distance) P-C4' energy: -116.112 flat angles C4'-P-C4' energy: -139.110 flat angles P-C4'-P energy: -98.681 tors. eta vs tors. theta energy: -199.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2298.599835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.599835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.599835 (E_RNA) where: Base-Base interactions energy: -1623.796 where: short stacking energy: -651.532 Base-Backbone interact. energy: -2.797 local terms energy: -672.007125 where: bonds (distance) C4'-P energy: -120.371 bonds (distance) P-C4' energy: -125.772 flat angles C4'-P-C4' energy: -136.651 flat angles P-C4'-P energy: -99.350 tors. eta vs tors. theta energy: -189.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2233.183974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.183974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.183974 (E_RNA) where: Base-Base interactions energy: -1621.189 where: short stacking energy: -676.310 Base-Backbone interact. energy: 0.557 local terms energy: -612.552086 where: bonds (distance) C4'-P energy: -99.297 bonds (distance) P-C4' energy: -99.083 flat angles C4'-P-C4' energy: -137.926 flat angles P-C4'-P energy: -83.154 tors. eta vs tors. theta energy: -193.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -2012.183358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.183358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.183358 (E_RNA) where: Base-Base interactions energy: -1404.148 where: short stacking energy: -562.760 Base-Backbone interact. energy: -3.818 local terms energy: -604.217346 where: bonds (distance) C4'-P energy: -118.173 bonds (distance) P-C4' energy: -133.638 flat angles C4'-P-C4' energy: -127.311 flat angles P-C4'-P energy: -72.300 tors. eta vs tors. theta energy: -152.794 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: 203 Temperature: 1.250000 Total energy: -1553.813283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.813283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.813283 (E_RNA) where: Base-Base interactions energy: -1054.059 where: short stacking energy: -451.425 Base-Backbone interact. energy: -0.469 local terms energy: -499.285528 where: bonds (distance) C4'-P energy: -107.661 bonds (distance) P-C4' energy: -105.404 flat angles C4'-P-C4' energy: -126.745 flat angles P-C4'-P energy: -65.399 tors. eta vs tors. theta energy: -94.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1155.970937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.970937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.970937 (E_RNA) where: Base-Base interactions energy: -714.508 where: short stacking energy: -342.502 Base-Backbone interact. energy: 2.816 local terms energy: -444.278767 where: bonds (distance) C4'-P energy: -98.068 bonds (distance) P-C4' energy: -118.484 flat angles C4'-P-C4' energy: -96.996 flat angles P-C4'-P energy: -78.128 tors. eta vs tors. theta energy: -52.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -915.365144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.365144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.365144 (E_RNA) where: Base-Base interactions energy: -540.853 where: short stacking energy: -255.526 Base-Backbone interact. energy: -0.231 local terms energy: -374.281420 where: bonds (distance) C4'-P energy: -109.358 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -97.603 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: -11.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2613.196421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.196421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.196421 (E_RNA) where: Base-Base interactions energy: -1834.344 where: short stacking energy: -745.565 Base-Backbone interact. energy: -0.059 local terms energy: -778.793065 where: bonds (distance) C4'-P energy: -137.185 bonds (distance) P-C4' energy: -143.361 flat angles C4'-P-C4' energy: -159.570 flat angles P-C4'-P energy: -104.326 tors. eta vs tors. theta energy: -234.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2536.609529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.609529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.609529 (E_RNA) where: Base-Base interactions energy: -1806.313 where: short stacking energy: -759.409 Base-Backbone interact. energy: -1.005 local terms energy: -729.292027 where: bonds (distance) C4'-P energy: -106.922 bonds (distance) P-C4' energy: -130.089 flat angles C4'-P-C4' energy: -161.018 flat angles P-C4'-P energy: -108.706 tors. eta vs tors. theta energy: -222.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2489.238068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.238068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.238068 (E_RNA) where: Base-Base interactions energy: -1746.947 where: short stacking energy: -732.564 Base-Backbone interact. energy: -3.526 local terms energy: -738.764742 where: bonds (distance) C4'-P energy: -128.644 bonds (distance) P-C4' energy: -117.063 flat angles C4'-P-C4' energy: -151.294 flat angles P-C4'-P energy: -113.570 tors. eta vs tors. theta energy: -228.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2359.831182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.831182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.831182 (E_RNA) where: Base-Base interactions energy: -1653.505 where: short stacking energy: -712.214 Base-Backbone interact. energy: -1.458 local terms energy: -704.867899 where: bonds (distance) C4'-P energy: -118.817 bonds (distance) P-C4' energy: -128.314 flat angles C4'-P-C4' energy: -155.808 flat angles P-C4'-P energy: -96.662 tors. eta vs tors. theta energy: -205.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2283.870740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.870740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.870740 (E_RNA) where: Base-Base interactions energy: -1616.774 where: short stacking energy: -656.207 Base-Backbone interact. energy: -2.299 local terms energy: -664.797477 where: bonds (distance) C4'-P energy: -122.001 bonds (distance) P-C4' energy: -117.357 flat angles C4'-P-C4' energy: -129.270 flat angles P-C4'-P energy: -111.368 tors. eta vs tors. theta energy: -184.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2198.718997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.718997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.718997 (E_RNA) where: Base-Base interactions energy: -1563.815 where: short stacking energy: -623.365 Base-Backbone interact. energy: -1.703 local terms energy: -633.201002 where: bonds (distance) C4'-P energy: -98.708 bonds (distance) P-C4' energy: -135.246 flat angles C4'-P-C4' energy: -123.450 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -178.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1934.315327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.315327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.315327 (E_RNA) where: Base-Base interactions energy: -1342.125 where: short stacking energy: -564.848 Base-Backbone interact. energy: 0.393 local terms energy: -592.583264 where: bonds (distance) C4'-P energy: -122.410 bonds (distance) P-C4' energy: -119.145 flat angles C4'-P-C4' energy: -127.457 flat angles P-C4'-P energy: -83.334 tors. eta vs tors. theta energy: -140.237 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: 204 Temperature: 1.250000 Total energy: -1569.720345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.720345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.720345 (E_RNA) where: Base-Base interactions energy: -1064.275 where: short stacking energy: -460.360 Base-Backbone interact. energy: 0.647 local terms energy: -506.091444 where: bonds (distance) C4'-P energy: -108.044 bonds (distance) P-C4' energy: -104.999 flat angles C4'-P-C4' energy: -113.730 flat angles P-C4'-P energy: -71.340 tors. eta vs tors. theta energy: -107.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1157.895535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.895535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.895535 (E_RNA) where: Base-Base interactions energy: -722.783 where: short stacking energy: -345.451 Base-Backbone interact. energy: -1.216 local terms energy: -433.896536 where: bonds (distance) C4'-P energy: -108.141 bonds (distance) P-C4' energy: -107.229 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -70.491 tors. eta vs tors. theta energy: -45.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -976.888194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.888194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.888194 (E_RNA) where: Base-Base interactions energy: -610.346 where: short stacking energy: -268.204 Base-Backbone interact. energy: -3.260 local terms energy: -363.281969 where: bonds (distance) C4'-P energy: -102.457 bonds (distance) P-C4' energy: -111.146 flat angles C4'-P-C4' energy: -83.718 flat angles P-C4'-P energy: -46.262 tors. eta vs tors. theta energy: -19.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2611.711677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.711677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.711677 (E_RNA) where: Base-Base interactions energy: -1870.667 where: short stacking energy: -756.992 Base-Backbone interact. energy: 0.522 local terms energy: -741.566695 where: bonds (distance) C4'-P energy: -118.073 bonds (distance) P-C4' energy: -132.107 flat angles C4'-P-C4' energy: -155.491 flat angles P-C4'-P energy: -113.852 tors. eta vs tors. theta energy: -222.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2537.269722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.269722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.269722 (E_RNA) where: Base-Base interactions energy: -1785.957 where: short stacking energy: -764.095 Base-Backbone interact. energy: -0.426 local terms energy: -750.886723 where: bonds (distance) C4'-P energy: -135.924 bonds (distance) P-C4' energy: -126.954 flat angles C4'-P-C4' energy: -162.104 flat angles P-C4'-P energy: -98.023 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: 3, replica: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2415.553572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.553572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.553572 (E_RNA) where: Base-Base interactions energy: -1718.552 where: short stacking energy: -725.533 Base-Backbone interact. energy: -1.879 local terms energy: -695.122926 where: bonds (distance) C4'-P energy: -118.861 bonds (distance) P-C4' energy: -117.303 flat angles C4'-P-C4' energy: -155.655 flat angles P-C4'-P energy: -87.940 tors. eta vs tors. theta energy: -215.364 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: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2340.119907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.119907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.119907 (E_RNA) where: Base-Base interactions energy: -1674.015 where: short stacking energy: -695.908 Base-Backbone interact. energy: -0.437 local terms energy: -665.667893 where: bonds (distance) C4'-P energy: -100.107 bonds (distance) P-C4' energy: -114.778 flat angles C4'-P-C4' energy: -143.419 flat angles P-C4'-P energy: -100.430 tors. eta vs tors. theta energy: -206.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2290.861672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.861672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.861672 (E_RNA) where: Base-Base interactions energy: -1600.280 where: short stacking energy: -647.160 Base-Backbone interact. energy: -3.629 local terms energy: -686.952393 where: bonds (distance) C4'-P energy: -122.091 bonds (distance) P-C4' energy: -131.668 flat angles C4'-P-C4' energy: -140.754 flat angles P-C4'-P energy: -92.932 tors. eta vs tors. theta energy: -199.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2243.818457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.818457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.818457 (E_RNA) where: Base-Base interactions energy: -1588.294 where: short stacking energy: -654.505 Base-Backbone interact. energy: -2.664 local terms energy: -652.860684 where: bonds (distance) C4'-P energy: -109.089 bonds (distance) P-C4' energy: -116.768 flat angles C4'-P-C4' energy: -146.140 flat angles P-C4'-P energy: -92.296 tors. eta vs tors. theta energy: -188.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1934.903647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.903647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.903647 (E_RNA) where: Base-Base interactions energy: -1336.526 where: short stacking energy: -568.115 Base-Backbone interact. energy: -0.954 local terms energy: -597.423550 where: bonds (distance) C4'-P energy: -124.650 bonds (distance) P-C4' energy: -106.873 flat angles C4'-P-C4' energy: -134.228 flat angles P-C4'-P energy: -81.127 tors. eta vs tors. theta energy: -150.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1543.463799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.463799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.463799 (E_RNA) where: Base-Base interactions energy: -1036.009 where: short stacking energy: -442.508 Base-Backbone interact. energy: 0.791 local terms energy: -508.245903 where: bonds (distance) C4'-P energy: -112.242 bonds (distance) P-C4' energy: -102.114 flat angles C4'-P-C4' energy: -117.314 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -103.778 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: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1160.910754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.910754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.910754 (E_RNA) where: Base-Base interactions energy: -703.242 where: short stacking energy: -344.419 Base-Backbone interact. energy: -0.774 local terms energy: -456.894868 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -108.147 flat angles C4'-P-C4' energy: -106.123 flat angles P-C4'-P energy: -70.590 tors. eta vs tors. theta energy: -57.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -950.887372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.887372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.887372 (E_RNA) where: Base-Base interactions energy: -579.910 where: short stacking energy: -278.447 Base-Backbone interact. energy: -1.494 local terms energy: -369.483308 where: bonds (distance) C4'-P energy: -91.451 bonds (distance) P-C4' energy: -96.205 flat angles C4'-P-C4' energy: -102.940 flat angles P-C4'-P energy: -51.822 tors. eta vs tors. theta energy: -27.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2593.360787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.360787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.360787 (E_RNA) where: Base-Base interactions energy: -1838.825 where: short stacking energy: -750.000 Base-Backbone interact. energy: -0.588 local terms energy: -753.947670 where: bonds (distance) C4'-P energy: -132.890 bonds (distance) P-C4' energy: -139.397 flat angles C4'-P-C4' energy: -149.055 flat angles P-C4'-P energy: -104.761 tors. eta vs tors. theta energy: -227.845 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: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2528.322286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.322286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.322286 (E_RNA) where: Base-Base interactions energy: -1758.589 where: short stacking energy: -731.499 Base-Backbone interact. energy: -2.365 local terms energy: -767.367793 where: bonds (distance) C4'-P energy: -123.300 bonds (distance) P-C4' energy: -135.652 flat angles C4'-P-C4' energy: -164.102 flat angles P-C4'-P energy: -105.903 tors. eta vs tors. theta energy: -238.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2462.007440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.007440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.007440 (E_RNA) where: Base-Base interactions energy: -1712.573 where: short stacking energy: -723.791 Base-Backbone interact. energy: -1.389 local terms energy: -748.045491 where: bonds (distance) C4'-P energy: -134.055 bonds (distance) P-C4' energy: -127.049 flat angles C4'-P-C4' energy: -152.525 flat angles P-C4'-P energy: -107.060 tors. eta vs tors. theta energy: -227.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2359.020863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.020863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.020863 (E_RNA) where: Base-Base interactions energy: -1674.300 where: short stacking energy: -694.949 Base-Backbone interact. energy: -1.548 local terms energy: -683.173157 where: bonds (distance) C4'-P energy: -112.246 bonds (distance) P-C4' energy: -108.276 flat angles C4'-P-C4' energy: -155.680 flat angles P-C4'-P energy: -102.466 tors. eta vs tors. theta energy: -204.505 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: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2283.679980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.679980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.679980 (E_RNA) where: Base-Base interactions energy: -1598.422 where: short stacking energy: -666.234 Base-Backbone interact. energy: -0.119 local terms energy: -685.138630 where: bonds (distance) C4'-P energy: -120.885 bonds (distance) P-C4' energy: -134.973 flat angles C4'-P-C4' energy: -150.661 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: -197.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2256.608151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.608151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.608151 (E_RNA) where: Base-Base interactions energy: -1625.667 where: short stacking energy: -652.854 Base-Backbone interact. energy: -0.125 local terms energy: -630.815781 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -103.580 flat angles C4'-P-C4' energy: -125.203 flat angles P-C4'-P energy: -82.953 tors. eta vs tors. theta energy: -208.991 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: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1946.312432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.312432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.312432 (E_RNA) where: Base-Base interactions energy: -1377.351 where: short stacking energy: -562.734 Base-Backbone interact. energy: -1.158 local terms energy: -567.802937 where: bonds (distance) C4'-P energy: -104.875 bonds (distance) P-C4' energy: -88.348 flat angles C4'-P-C4' energy: -127.285 flat angles P-C4'-P energy: -93.010 tors. eta vs tors. theta energy: -154.285 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: 206 Temperature: 1.250000 Total energy: -1522.039716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.039716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.039716 (E_RNA) where: Base-Base interactions energy: -1008.805 where: short stacking energy: -459.886 Base-Backbone interact. energy: -0.356 local terms energy: -512.878683 where: bonds (distance) C4'-P energy: -123.344 bonds (distance) P-C4' energy: -103.366 flat angles C4'-P-C4' energy: -116.850 flat angles P-C4'-P energy: -67.011 tors. eta vs tors. theta energy: -102.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1102.021572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.021572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.021572 (E_RNA) where: Base-Base interactions energy: -716.852 where: short stacking energy: -300.246 Base-Backbone interact. energy: 6.538 local terms energy: -391.707740 where: bonds (distance) C4'-P energy: -93.297 bonds (distance) P-C4' energy: -98.841 flat angles C4'-P-C4' energy: -104.738 flat angles P-C4'-P energy: -58.463 tors. eta vs tors. theta energy: -36.370 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: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1010.187786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.187786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.187786 (E_RNA) where: Base-Base interactions energy: -598.907 where: short stacking energy: -289.372 Base-Backbone interact. energy: 7.932 local terms energy: -419.212605 where: bonds (distance) C4'-P energy: -103.017 bonds (distance) P-C4' energy: -116.122 flat angles C4'-P-C4' energy: -94.185 flat angles P-C4'-P energy: -70.925 tors. eta vs tors. theta energy: -34.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2613.135704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.135704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.135704 (E_RNA) where: Base-Base interactions energy: -1856.529 where: short stacking energy: -762.090 Base-Backbone interact. energy: -0.575 local terms energy: -756.031374 where: bonds (distance) C4'-P energy: -130.247 bonds (distance) P-C4' energy: -150.243 flat angles C4'-P-C4' energy: -145.555 flat angles P-C4'-P energy: -113.092 tors. eta vs tors. theta energy: -216.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2531.481559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.481559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.481559 (E_RNA) where: Base-Base interactions energy: -1788.937 where: short stacking energy: -733.769 Base-Backbone interact. energy: 0.738 local terms energy: -743.282901 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -128.481 flat angles C4'-P-C4' energy: -152.108 flat angles P-C4'-P energy: -114.890 tors. eta vs tors. theta energy: -224.109 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: 207 Temperature: 1.000000 Total energy: -2470.970165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.970165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.970165 (E_RNA) where: Base-Base interactions energy: -1743.947 where: short stacking energy: -715.201 Base-Backbone interact. energy: -1.624 local terms energy: -725.399380 where: bonds (distance) C4'-P energy: -114.802 bonds (distance) P-C4' energy: -138.069 flat angles C4'-P-C4' energy: -154.216 flat angles P-C4'-P energy: -94.485 tors. eta vs tors. theta energy: -223.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2375.944097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.944097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.944097 (E_RNA) where: Base-Base interactions energy: -1656.454 where: short stacking energy: -703.754 Base-Backbone interact. energy: -1.476 local terms energy: -718.013836 where: bonds (distance) C4'-P energy: -131.960 bonds (distance) P-C4' energy: -117.658 flat angles C4'-P-C4' energy: -155.523 flat angles P-C4'-P energy: -107.907 tors. eta vs tors. theta energy: -204.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2296.685018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.685018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.685018 (E_RNA) where: Base-Base interactions energy: -1632.923 where: short stacking energy: -696.544 Base-Backbone interact. energy: -0.634 local terms energy: -663.127452 where: bonds (distance) C4'-P energy: -136.441 bonds (distance) P-C4' energy: -95.125 flat angles C4'-P-C4' energy: -138.090 flat angles P-C4'-P energy: -92.399 tors. eta vs tors. theta energy: -201.072 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: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2240.828979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.828979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.828979 (E_RNA) where: Base-Base interactions energy: -1583.276 where: short stacking energy: -623.736 Base-Backbone interact. energy: -0.443 local terms energy: -657.109843 where: bonds (distance) C4'-P energy: -118.103 bonds (distance) P-C4' energy: -111.055 flat angles C4'-P-C4' energy: -140.057 flat angles P-C4'-P energy: -98.500 tors. eta vs tors. theta energy: -189.394 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: 207 Temperature: 1.200000 Total energy: -1916.150872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.150872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.150872 (E_RNA) where: Base-Base interactions energy: -1379.141 where: short stacking energy: -554.272 Base-Backbone interact. energy: -5.409 local terms energy: -531.601739 where: bonds (distance) C4'-P energy: -85.863 bonds (distance) P-C4' energy: -116.183 flat angles C4'-P-C4' energy: -120.095 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -141.334 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: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1493.505663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.505663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.505663 (E_RNA) where: Base-Base interactions energy: -981.680 where: short stacking energy: -412.470 Base-Backbone interact. energy: 1.501 local terms energy: -513.326663 where: bonds (distance) C4'-P energy: -114.165 bonds (distance) P-C4' energy: -117.639 flat angles C4'-P-C4' energy: -120.725 flat angles P-C4'-P energy: -66.961 tors. eta vs tors. theta energy: -93.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1101.842727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.842727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.842727 (E_RNA) where: Base-Base interactions energy: -642.287 where: short stacking energy: -301.551 Base-Backbone interact. energy: 0.325 local terms energy: -459.880859 where: bonds (distance) C4'-P energy: -120.884 bonds (distance) P-C4' energy: -101.303 flat angles C4'-P-C4' energy: -117.890 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: -56.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -998.213859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.213859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.213859 (E_RNA) where: Base-Base interactions energy: -598.081 where: short stacking energy: -283.420 Base-Backbone interact. energy: -0.467 local terms energy: -399.665611 where: bonds (distance) C4'-P energy: -98.802 bonds (distance) P-C4' energy: -120.947 flat angles C4'-P-C4' energy: -98.083 flat angles P-C4'-P energy: -47.669 tors. eta vs tors. theta energy: -34.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2588.389460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.389460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.389460 (E_RNA) where: Base-Base interactions energy: -1835.746 where: short stacking energy: -767.811 Base-Backbone interact. energy: -1.263 local terms energy: -751.380289 where: bonds (distance) C4'-P energy: -128.217 bonds (distance) P-C4' energy: -130.106 flat angles C4'-P-C4' energy: -155.748 flat angles P-C4'-P energy: -105.828 tors. eta vs tors. theta energy: -231.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2513.402039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.402039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.402039 (E_RNA) where: Base-Base interactions energy: -1765.401 where: short stacking energy: -763.510 Base-Backbone interact. energy: 2.574 local terms energy: -750.574964 where: bonds (distance) C4'-P energy: -133.341 bonds (distance) P-C4' energy: -138.601 flat angles C4'-P-C4' energy: -143.436 flat angles P-C4'-P energy: -101.865 tors. eta vs tors. theta energy: -233.331 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: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2472.813174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.813174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.813174 (E_RNA) where: Base-Base interactions energy: -1732.993 where: short stacking energy: -714.053 Base-Backbone interact. energy: -2.071 local terms energy: -737.748971 where: bonds (distance) C4'-P energy: -123.151 bonds (distance) P-C4' energy: -127.366 flat angles C4'-P-C4' energy: -155.142 flat angles P-C4'-P energy: -105.362 tors. eta vs tors. theta energy: -226.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2324.774074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.774074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.774074 (E_RNA) where: Base-Base interactions energy: -1611.400 where: short stacking energy: -684.247 Base-Backbone interact. energy: -1.785 local terms energy: -711.588358 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -135.073 flat angles C4'-P-C4' energy: -152.025 flat angles P-C4'-P energy: -89.653 tors. eta vs tors. theta energy: -203.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2321.821631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.821631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.821631 (E_RNA) where: Base-Base interactions energy: -1617.143 where: short stacking energy: -664.621 Base-Backbone interact. energy: -2.251 local terms energy: -702.427966 where: bonds (distance) C4'-P energy: -116.573 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -140.084 flat angles P-C4'-P energy: -107.463 tors. eta vs tors. theta energy: -202.670 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: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2212.512319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.512319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.512319 (E_RNA) where: Base-Base interactions energy: -1554.947 where: short stacking energy: -633.846 Base-Backbone interact. energy: -0.450 local terms energy: -657.114759 where: bonds (distance) C4'-P energy: -120.616 bonds (distance) P-C4' energy: -130.816 flat angles C4'-P-C4' energy: -140.364 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -188.579 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: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1916.567722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.567722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.567722 (E_RNA) where: Base-Base interactions energy: -1318.262 where: short stacking energy: -577.990 Base-Backbone interact. energy: 1.305 local terms energy: -599.610472 where: bonds (distance) C4'-P energy: -103.187 bonds (distance) P-C4' energy: -103.857 flat angles C4'-P-C4' energy: -141.082 flat angles P-C4'-P energy: -95.433 tors. eta vs tors. theta energy: -156.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1522.539333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.539333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.539333 (E_RNA) where: Base-Base interactions energy: -967.705 where: short stacking energy: -411.447 Base-Backbone interact. energy: -1.691 local terms energy: -553.142993 where: bonds (distance) C4'-P energy: -109.727 bonds (distance) P-C4' energy: -119.282 flat angles C4'-P-C4' energy: -136.805 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -112.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1030.178440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.178440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.178440 (E_RNA) where: Base-Base interactions energy: -621.564 where: short stacking energy: -283.706 Base-Backbone interact. energy: 1.579 local terms energy: -410.194119 where: bonds (distance) C4'-P energy: -89.434 bonds (distance) P-C4' energy: -116.712 flat angles C4'-P-C4' energy: -112.512 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -27.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1051.617565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.617565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.617565 (E_RNA) where: Base-Base interactions energy: -642.687 where: short stacking energy: -314.633 Base-Backbone interact. energy: -1.948 local terms energy: -406.982487 where: bonds (distance) C4'-P energy: -100.670 bonds (distance) P-C4' energy: -92.102 flat angles C4'-P-C4' energy: -108.638 flat angles P-C4'-P energy: -59.249 tors. eta vs tors. theta energy: -46.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2609.157305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.157305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.157305 (E_RNA) where: Base-Base interactions energy: -1858.878 where: short stacking energy: -766.274 Base-Backbone interact. energy: -2.924 local terms energy: -747.355037 where: bonds (distance) C4'-P energy: -126.327 bonds (distance) P-C4' energy: -128.964 flat angles C4'-P-C4' energy: -156.402 flat angles P-C4'-P energy: -112.378 tors. eta vs tors. theta energy: -223.283 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: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2546.620324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.620324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.620324 (E_RNA) where: Base-Base interactions energy: -1802.419 where: short stacking energy: -744.272 Base-Backbone interact. energy: -1.932 local terms energy: -742.268850 where: bonds (distance) C4'-P energy: -127.841 bonds (distance) P-C4' energy: -125.697 flat angles C4'-P-C4' energy: -161.749 flat angles P-C4'-P energy: -103.338 tors. eta vs tors. theta energy: -223.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2462.924817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.924817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.924817 (E_RNA) where: Base-Base interactions energy: -1759.761 where: short stacking energy: -705.739 Base-Backbone interact. energy: -0.984 local terms energy: -702.180054 where: bonds (distance) C4'-P energy: -123.435 bonds (distance) P-C4' energy: -129.004 flat angles C4'-P-C4' energy: -144.874 flat angles P-C4'-P energy: -92.412 tors. eta vs tors. theta energy: -212.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2338.586119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.586119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.586119 (E_RNA) where: Base-Base interactions energy: -1662.466 where: short stacking energy: -679.058 Base-Backbone interact. energy: -2.257 local terms energy: -673.863117 where: bonds (distance) C4'-P energy: -118.733 bonds (distance) P-C4' energy: -114.058 flat angles C4'-P-C4' energy: -148.719 flat angles P-C4'-P energy: -95.694 tors. eta vs tors. theta energy: -196.659 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: 9 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2273.138745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.138745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.138745 (E_RNA) where: Base-Base interactions energy: -1619.010 where: short stacking energy: -673.125 Base-Backbone interact. energy: 8.143 local terms energy: -662.272553 where: bonds (distance) C4'-P energy: -117.695 bonds (distance) P-C4' energy: -131.337 flat angles C4'-P-C4' energy: -128.961 flat angles P-C4'-P energy: -89.969 tors. eta vs tors. theta energy: -194.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2226.458951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.458951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.458951 (E_RNA) where: Base-Base interactions energy: -1612.472 where: short stacking energy: -651.657 Base-Backbone interact. energy: -0.523 local terms energy: -613.464673 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -89.134 flat angles C4'-P-C4' energy: -147.506 flat angles P-C4'-P energy: -85.872 tors. eta vs tors. theta energy: -191.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1941.975798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.975798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.975798 (E_RNA) where: Base-Base interactions energy: -1358.273 where: short stacking energy: -554.715 Base-Backbone interact. energy: -2.381 local terms energy: -581.321200 where: bonds (distance) C4'-P energy: -95.641 bonds (distance) P-C4' energy: -128.814 flat angles C4'-P-C4' energy: -132.300 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -151.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1454.536820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.536820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.536820 (E_RNA) where: Base-Base interactions energy: -911.934 where: short stacking energy: -427.388 Base-Backbone interact. energy: -3.201 local terms energy: -539.401765 where: bonds (distance) C4'-P energy: -115.246 bonds (distance) P-C4' energy: -111.764 flat angles C4'-P-C4' energy: -135.644 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -106.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1048.744649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.744649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.744649 (E_RNA) where: Base-Base interactions energy: -650.020 where: short stacking energy: -299.398 Base-Backbone interact. energy: 0.008 local terms energy: -398.732224 where: bonds (distance) C4'-P energy: -102.586 bonds (distance) P-C4' energy: -109.637 flat angles C4'-P-C4' energy: -91.593 flat angles P-C4'-P energy: -61.314 tors. eta vs tors. theta energy: -33.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1031.757504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.757504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.757504 (E_RNA) where: Base-Base interactions energy: -637.224 where: short stacking energy: -291.830 Base-Backbone interact. energy: 0.471 local terms energy: -395.005278 where: bonds (distance) C4'-P energy: -91.367 bonds (distance) P-C4' energy: -118.195 flat angles C4'-P-C4' energy: -85.331 flat angles P-C4'-P energy: -70.421 tors. eta vs tors. theta energy: -29.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2589.333594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.333594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.333594 (E_RNA) where: Base-Base interactions energy: -1826.406 where: short stacking energy: -753.535 Base-Backbone interact. energy: -0.315 local terms energy: -762.612233 where: bonds (distance) C4'-P energy: -136.079 bonds (distance) P-C4' energy: -137.362 flat angles C4'-P-C4' energy: -154.389 flat angles P-C4'-P energy: -107.447 tors. eta vs tors. theta energy: -227.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2531.940141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.940141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.940141 (E_RNA) where: Base-Base interactions energy: -1799.156 where: short stacking energy: -745.733 Base-Backbone interact. energy: -1.772 local terms energy: -731.012020 where: bonds (distance) C4'-P energy: -115.864 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -147.055 flat angles P-C4'-P energy: -107.106 tors. eta vs tors. theta energy: -226.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2456.839375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.839375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.839375 (E_RNA) where: Base-Base interactions energy: -1722.354 where: short stacking energy: -708.289 Base-Backbone interact. energy: -0.586 local terms energy: -733.898853 where: bonds (distance) C4'-P energy: -118.292 bonds (distance) P-C4' energy: -142.831 flat angles C4'-P-C4' energy: -153.103 flat angles P-C4'-P energy: -95.509 tors. eta vs tors. theta energy: -224.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2318.491949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.491949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.491949 (E_RNA) where: Base-Base interactions energy: -1633.545 where: short stacking energy: -672.455 Base-Backbone interact. energy: -2.472 local terms energy: -682.474545 where: bonds (distance) C4'-P energy: -125.993 bonds (distance) P-C4' energy: -130.071 flat angles C4'-P-C4' energy: -145.227 flat angles P-C4'-P energy: -84.690 tors. eta vs tors. theta energy: -196.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2277.270401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.270401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.270401 (E_RNA) where: Base-Base interactions energy: -1624.450 where: short stacking energy: -666.928 Base-Backbone interact. energy: -3.227 local terms energy: -649.593180 where: bonds (distance) C4'-P energy: -97.467 bonds (distance) P-C4' energy: -119.795 flat angles C4'-P-C4' energy: -148.739 flat angles P-C4'-P energy: -95.741 tors. eta vs tors. theta energy: -187.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2238.721723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.721723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.721723 (E_RNA) where: Base-Base interactions energy: -1588.693 where: short stacking energy: -630.730 Base-Backbone interact. energy: -1.979 local terms energy: -648.050472 where: bonds (distance) C4'-P energy: -127.056 bonds (distance) P-C4' energy: -106.198 flat angles C4'-P-C4' energy: -132.153 flat angles P-C4'-P energy: -88.233 tors. eta vs tors. theta energy: -194.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1863.877058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.877058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.877058 (E_RNA) where: Base-Base interactions energy: -1257.571 where: short stacking energy: -532.668 Base-Backbone interact. energy: 1.212 local terms energy: -607.517861 where: bonds (distance) C4'-P energy: -125.445 bonds (distance) P-C4' energy: -124.567 flat angles C4'-P-C4' energy: -125.729 flat angles P-C4'-P energy: -95.661 tors. eta vs tors. theta energy: -136.115 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: 210 Temperature: 1.250000 Total energy: -1452.761904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.761904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.761904 (E_RNA) where: Base-Base interactions energy: -953.918 where: short stacking energy: -439.658 Base-Backbone interact. energy: 0.450 local terms energy: -499.294230 where: bonds (distance) C4'-P energy: -109.071 bonds (distance) P-C4' energy: -112.328 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -98.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1048.608635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.608635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.608635 (E_RNA) where: Base-Base interactions energy: -648.575 where: short stacking energy: -313.301 Base-Backbone interact. energy: -1.648 local terms energy: -398.385742 where: bonds (distance) C4'-P energy: -89.074 bonds (distance) P-C4' energy: -113.290 flat angles C4'-P-C4' energy: -97.446 flat angles P-C4'-P energy: -47.625 tors. eta vs tors. theta energy: -50.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1030.311638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.311638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.311638 (E_RNA) where: Base-Base interactions energy: -613.135 where: short stacking energy: -287.490 Base-Backbone interact. energy: -1.975 local terms energy: -415.201416 where: bonds (distance) C4'-P energy: -110.145 bonds (distance) P-C4' energy: -112.255 flat angles C4'-P-C4' energy: -102.811 flat angles P-C4'-P energy: -60.936 tors. eta vs tors. theta energy: -29.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2582.393732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.393732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.393732 (E_RNA) where: Base-Base interactions energy: -1835.497 where: short stacking energy: -747.872 Base-Backbone interact. energy: -2.755 local terms energy: -744.142553 where: bonds (distance) C4'-P energy: -130.864 bonds (distance) P-C4' energy: -127.149 flat angles C4'-P-C4' energy: -159.636 flat angles P-C4'-P energy: -106.735 tors. eta vs tors. theta energy: -219.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2557.219142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.219142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.219142 (E_RNA) where: Base-Base interactions energy: -1838.771 where: short stacking energy: -757.935 Base-Backbone interact. energy: -0.756 local terms energy: -717.692319 where: bonds (distance) C4'-P energy: -137.517 bonds (distance) P-C4' energy: -118.440 flat angles C4'-P-C4' energy: -153.063 flat angles P-C4'-P energy: -97.760 tors. eta vs tors. theta energy: -210.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2437.748132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.748132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.748132 (E_RNA) where: Base-Base interactions energy: -1696.965 where: short stacking energy: -706.836 Base-Backbone interact. energy: -0.758 local terms energy: -740.025391 where: bonds (distance) C4'-P energy: -138.600 bonds (distance) P-C4' energy: -127.281 flat angles C4'-P-C4' energy: -157.370 flat angles P-C4'-P energy: -102.277 tors. eta vs tors. theta energy: -214.497 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: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2320.953092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.953092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.953092 (E_RNA) where: Base-Base interactions energy: -1615.644 where: short stacking energy: -649.596 Base-Backbone interact. energy: -2.071 local terms energy: -703.237756 where: bonds (distance) C4'-P energy: -104.665 bonds (distance) P-C4' energy: -128.654 flat angles C4'-P-C4' energy: -153.749 flat angles P-C4'-P energy: -114.885 tors. eta vs tors. theta energy: -201.285 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: 5, replica: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2296.012138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.012138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.012138 (E_RNA) where: Base-Base interactions energy: -1632.188 where: short stacking energy: -668.264 Base-Backbone interact. energy: 0.798 local terms energy: -664.621806 where: bonds (distance) C4'-P energy: -116.518 bonds (distance) P-C4' energy: -117.620 flat angles C4'-P-C4' energy: -148.024 flat angles P-C4'-P energy: -83.397 tors. eta vs tors. theta energy: -199.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2270.796771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.796771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.796771 (E_RNA) where: Base-Base interactions energy: -1602.930 where: short stacking energy: -667.428 Base-Backbone interact. energy: -0.901 local terms energy: -666.965720 where: bonds (distance) C4'-P energy: -117.721 bonds (distance) P-C4' energy: -106.212 flat angles C4'-P-C4' energy: -147.116 flat angles P-C4'-P energy: -94.316 tors. eta vs tors. theta energy: -201.600 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: 211 Temperature: 1.200000 Total energy: -1927.939559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.939559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.939559 (E_RNA) where: Base-Base interactions energy: -1322.519 where: short stacking energy: -541.071 Base-Backbone interact. energy: -1.037 local terms energy: -604.383207 where: bonds (distance) C4'-P energy: -107.785 bonds (distance) P-C4' energy: -129.015 flat angles C4'-P-C4' energy: -136.358 flat angles P-C4'-P energy: -94.067 tors. eta vs tors. theta energy: -137.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1459.962094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.962094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.962094 (E_RNA) where: Base-Base interactions energy: -989.171 where: short stacking energy: -439.386 Base-Backbone interact. energy: 0.049 local terms energy: -470.840455 where: bonds (distance) C4'-P energy: -99.205 bonds (distance) P-C4' energy: -105.906 flat angles C4'-P-C4' energy: -102.654 flat angles P-C4'-P energy: -72.905 tors. eta vs tors. theta energy: -90.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1060.601150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.601150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.601150 (E_RNA) where: Base-Base interactions energy: -669.625 where: short stacking energy: -328.047 Base-Backbone interact. energy: 0.353 local terms energy: -391.329423 where: bonds (distance) C4'-P energy: -94.416 bonds (distance) P-C4' energy: -100.283 flat angles C4'-P-C4' energy: -92.028 flat angles P-C4'-P energy: -69.360 tors. eta vs tors. theta energy: -35.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1012.204739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.204739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.204739 (E_RNA) where: Base-Base interactions energy: -613.956 where: short stacking energy: -297.130 Base-Backbone interact. energy: -3.738 local terms energy: -394.511020 where: bonds (distance) C4'-P energy: -105.969 bonds (distance) P-C4' energy: -118.663 flat angles C4'-P-C4' energy: -80.647 flat angles P-C4'-P energy: -52.414 tors. eta vs tors. theta energy: -36.818 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: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2573.659381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.659381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.659381 (E_RNA) where: Base-Base interactions energy: -1830.520 where: short stacking energy: -770.509 Base-Backbone interact. energy: -1.669 local terms energy: -741.469688 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -131.822 flat angles C4'-P-C4' energy: -147.480 flat angles P-C4'-P energy: -111.175 tors. eta vs tors. theta energy: -221.824 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: 6 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2559.663383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.663383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.663383 (E_RNA) where: Base-Base interactions energy: -1810.538 where: short stacking energy: -723.724 Base-Backbone interact. energy: -1.124 local terms energy: -748.001202 where: bonds (distance) C4'-P energy: -131.688 bonds (distance) P-C4' energy: -132.872 flat angles C4'-P-C4' energy: -157.951 flat angles P-C4'-P energy: -100.197 tors. eta vs tors. theta energy: -225.293 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: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2432.558469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.558469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.558469 (E_RNA) where: Base-Base interactions energy: -1707.440 where: short stacking energy: -721.115 Base-Backbone interact. energy: -0.586 local terms energy: -724.533028 where: bonds (distance) C4'-P energy: -120.538 bonds (distance) P-C4' energy: -134.092 flat angles C4'-P-C4' energy: -144.229 flat angles P-C4'-P energy: -105.926 tors. eta vs tors. theta energy: -219.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2307.524256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.524256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.524256 (E_RNA) where: Base-Base interactions energy: -1662.339 where: short stacking energy: -686.962 Base-Backbone interact. energy: -2.764 local terms energy: -642.420964 where: bonds (distance) C4'-P energy: -111.764 bonds (distance) P-C4' energy: -99.466 flat angles C4'-P-C4' energy: -146.905 flat angles P-C4'-P energy: -92.312 tors. eta vs tors. theta energy: -191.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2403.772038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.772038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.772038 (E_RNA) where: Base-Base interactions energy: -1704.423 where: short stacking energy: -701.400 Base-Backbone interact. energy: 0.343 local terms energy: -699.691901 where: bonds (distance) C4'-P energy: -132.904 bonds (distance) P-C4' energy: -127.543 flat angles C4'-P-C4' energy: -136.930 flat angles P-C4'-P energy: -84.655 tors. eta vs tors. theta energy: -217.660 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: 6, replica: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2210.472687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.472687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.472687 (E_RNA) where: Base-Base interactions energy: -1550.850 where: short stacking energy: -668.057 Base-Backbone interact. energy: 0.782 local terms energy: -660.404457 where: bonds (distance) C4'-P energy: -112.458 bonds (distance) P-C4' energy: -115.892 flat angles C4'-P-C4' energy: -143.254 flat angles P-C4'-P energy: -94.850 tors. eta vs tors. theta energy: -193.952 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: 212 Temperature: 1.200000 Total energy: -1951.839079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.839079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.839079 (E_RNA) where: Base-Base interactions energy: -1347.763 where: short stacking energy: -565.037 Base-Backbone interact. energy: -0.205 local terms energy: -603.871311 where: bonds (distance) C4'-P energy: -108.932 bonds (distance) P-C4' energy: -117.370 flat angles C4'-P-C4' energy: -122.206 flat angles P-C4'-P energy: -91.078 tors. eta vs tors. theta energy: -164.285 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: 212 Temperature: 1.250000 Total energy: -1615.607073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.607073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.607073 (E_RNA) where: Base-Base interactions energy: -1063.349 where: short stacking energy: -465.658 Base-Backbone interact. energy: -1.254 local terms energy: -551.004056 where: bonds (distance) C4'-P energy: -97.845 bonds (distance) P-C4' energy: -134.132 flat angles C4'-P-C4' energy: -130.052 flat angles P-C4'-P energy: -73.608 tors. eta vs tors. theta energy: -115.366 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: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1079.862366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.862366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.862366 (E_RNA) where: Base-Base interactions energy: -630.667 where: short stacking energy: -316.017 Base-Backbone interact. energy: 2.153 local terms energy: -451.348586 where: bonds (distance) C4'-P energy: -100.195 bonds (distance) P-C4' energy: -129.862 flat angles C4'-P-C4' energy: -113.841 flat angles P-C4'-P energy: -75.810 tors. eta vs tors. theta energy: -31.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1036.383353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.383353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.383353 (E_RNA) where: Base-Base interactions energy: -616.003 where: short stacking energy: -275.543 Base-Backbone interact. energy: 3.450 local terms energy: -423.830740 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -125.847 flat angles C4'-P-C4' energy: -96.295 flat angles P-C4'-P energy: -78.880 tors. eta vs tors. theta energy: -25.516 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: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2596.908752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.908752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.908752 (E_RNA) where: Base-Base interactions energy: -1822.741 where: short stacking energy: -746.359 Base-Backbone interact. energy: -1.639 local terms energy: -772.529055 where: bonds (distance) C4'-P energy: -132.841 bonds (distance) P-C4' energy: -143.486 flat angles C4'-P-C4' energy: -153.933 flat angles P-C4'-P energy: -110.909 tors. eta vs tors. theta energy: -231.360 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: 2, replica: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2533.427031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.427031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.427031 (E_RNA) where: Base-Base interactions energy: -1785.832 where: short stacking energy: -706.278 Base-Backbone interact. energy: -2.356 local terms energy: -745.238845 where: bonds (distance) C4'-P energy: -141.005 bonds (distance) P-C4' energy: -128.325 flat angles C4'-P-C4' energy: -157.996 flat angles P-C4'-P energy: -102.125 tors. eta vs tors. theta energy: -215.789 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: 213 Temperature: 1.000000 Total energy: -2455.649923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.649923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.649923 (E_RNA) where: Base-Base interactions energy: -1739.665 where: short stacking energy: -710.814 Base-Backbone interact. energy: -3.422 local terms energy: -712.562911 where: bonds (distance) C4'-P energy: -107.234 bonds (distance) P-C4' energy: -138.580 flat angles C4'-P-C4' energy: -153.319 flat angles P-C4'-P energy: -94.507 tors. eta vs tors. theta energy: -218.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2435.916240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.916240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.916240 (E_RNA) where: Base-Base interactions energy: -1715.152 where: short stacking energy: -718.004 Base-Backbone interact. energy: -0.087 local terms energy: -720.677393 where: bonds (distance) C4'-P energy: -131.044 bonds (distance) P-C4' energy: -114.798 flat angles C4'-P-C4' energy: -154.757 flat angles P-C4'-P energy: -100.482 tors. eta vs tors. theta energy: -219.596 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2235.663460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.663460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.663460 (E_RNA) where: Base-Base interactions energy: -1621.649 where: short stacking energy: -672.215 Base-Backbone interact. energy: 2.142 local terms energy: -616.157005 where: bonds (distance) C4'-P energy: -103.326 bonds (distance) P-C4' energy: -104.185 flat angles C4'-P-C4' energy: -138.536 flat angles P-C4'-P energy: -85.699 tors. eta vs tors. theta energy: -184.412 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: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2182.034519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.034519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.034519 (E_RNA) where: Base-Base interactions energy: -1543.884 where: short stacking energy: -628.897 Base-Backbone interact. energy: 0.759 local terms energy: -638.909170 where: bonds (distance) C4'-P energy: -111.611 bonds (distance) P-C4' energy: -120.723 flat angles C4'-P-C4' energy: -134.313 flat angles P-C4'-P energy: -97.069 tors. eta vs tors. theta energy: -175.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1996.468045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.468045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.468045 (E_RNA) where: Base-Base interactions energy: -1362.287 where: short stacking energy: -558.736 Base-Backbone interact. energy: -0.268 local terms energy: -633.912478 where: bonds (distance) C4'-P energy: -115.039 bonds (distance) P-C4' energy: -127.852 flat angles C4'-P-C4' energy: -143.415 flat angles P-C4'-P energy: -71.065 tors. eta vs tors. theta energy: -176.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1642.536056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.536056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.536056 (E_RNA) where: Base-Base interactions energy: -1080.648 where: short stacking energy: -484.514 Base-Backbone interact. energy: 0.124 local terms energy: -562.011887 where: bonds (distance) C4'-P energy: -131.062 bonds (distance) P-C4' energy: -116.813 flat angles C4'-P-C4' energy: -125.672 flat angles P-C4'-P energy: -70.457 tors. eta vs tors. theta energy: -118.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1116.576708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.576708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.576708 (E_RNA) where: Base-Base interactions energy: -660.592 where: short stacking energy: -306.148 Base-Backbone interact. energy: -1.067 local terms energy: -454.918003 where: bonds (distance) C4'-P energy: -111.606 bonds (distance) P-C4' energy: -122.284 flat angles C4'-P-C4' energy: -102.298 flat angles P-C4'-P energy: -58.703 tors. eta vs tors. theta energy: -60.027 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: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1068.174643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.174643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.174643 (E_RNA) where: Base-Base interactions energy: -677.510 where: short stacking energy: -295.167 Base-Backbone interact. energy: -2.159 local terms energy: -388.505554 where: bonds (distance) C4'-P energy: -98.061 bonds (distance) P-C4' energy: -107.949 flat angles C4'-P-C4' energy: -86.408 flat angles P-C4'-P energy: -71.904 tors. eta vs tors. theta energy: -24.183 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: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2597.141470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.141470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.141470 (E_RNA) where: Base-Base interactions energy: -1818.034 where: short stacking energy: -750.995 Base-Backbone interact. energy: -4.771 local terms energy: -774.337269 where: bonds (distance) C4'-P energy: -125.164 bonds (distance) P-C4' energy: -143.832 flat angles C4'-P-C4' energy: -157.954 flat angles P-C4'-P energy: -122.495 tors. eta vs tors. theta energy: -224.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2546.833642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.833642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.833642 (E_RNA) where: Base-Base interactions energy: -1800.729 where: short stacking energy: -762.803 Base-Backbone interact. energy: 3.885 local terms energy: -749.989494 where: bonds (distance) C4'-P energy: -126.931 bonds (distance) P-C4' energy: -134.281 flat angles C4'-P-C4' energy: -152.179 flat angles P-C4'-P energy: -110.711 tors. eta vs tors. theta energy: -225.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2465.156663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.156663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.156663 (E_RNA) where: Base-Base interactions energy: -1722.565 where: short stacking energy: -711.701 Base-Backbone interact. energy: 2.980 local terms energy: -745.571768 where: bonds (distance) C4'-P energy: -127.948 bonds (distance) P-C4' energy: -126.678 flat angles C4'-P-C4' energy: -149.779 flat angles P-C4'-P energy: -115.796 tors. eta vs tors. theta energy: -225.371 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: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2413.370259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.370259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.370259 (E_RNA) where: Base-Base interactions energy: -1688.109 where: short stacking energy: -698.885 Base-Backbone interact. energy: -1.384 local terms energy: -723.877602 where: bonds (distance) C4'-P energy: -135.928 bonds (distance) P-C4' energy: -131.130 flat angles C4'-P-C4' energy: -136.983 flat angles P-C4'-P energy: -104.427 tors. eta vs tors. theta energy: -215.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2225.385396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.385396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.385396 (E_RNA) where: Base-Base interactions energy: -1571.848 where: short stacking energy: -649.409 Base-Backbone interact. energy: -2.142 local terms energy: -651.395127 where: bonds (distance) C4'-P energy: -113.121 bonds (distance) P-C4' energy: -116.018 flat angles C4'-P-C4' energy: -141.137 flat angles P-C4'-P energy: -99.286 tors. eta vs tors. theta energy: -181.833 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: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2201.519199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.519199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.519199 (E_RNA) where: Base-Base interactions energy: -1555.459 where: short stacking energy: -647.738 Base-Backbone interact. energy: -1.200 local terms energy: -644.860499 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -107.661 flat angles C4'-P-C4' energy: -138.523 flat angles P-C4'-P energy: -101.077 tors. eta vs tors. theta energy: -190.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1993.017653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.017653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.017653 (E_RNA) where: Base-Base interactions energy: -1362.179 where: short stacking energy: -597.328 Base-Backbone interact. energy: -2.475 local terms energy: -628.363895 where: bonds (distance) C4'-P energy: -112.180 bonds (distance) P-C4' energy: -131.235 flat angles C4'-P-C4' energy: -133.973 flat angles P-C4'-P energy: -85.760 tors. eta vs tors. theta energy: -165.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1670.400427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.400427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.400427 (E_RNA) where: Base-Base interactions energy: -1136.508 where: short stacking energy: -487.007 Base-Backbone interact. energy: 2.731 local terms energy: -536.623800 where: bonds (distance) C4'-P energy: -103.989 bonds (distance) P-C4' energy: -114.960 flat angles C4'-P-C4' energy: -124.934 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -118.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1068.932429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.932429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.932429 (E_RNA) where: Base-Base interactions energy: -640.244 where: short stacking energy: -322.658 Base-Backbone interact. energy: 0.231 local terms energy: -428.920313 where: bonds (distance) C4'-P energy: -83.911 bonds (distance) P-C4' energy: -126.619 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -70.333 tors. eta vs tors. theta energy: -42.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1062.990827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.990827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.990827 (E_RNA) where: Base-Base interactions energy: -647.117 where: short stacking energy: -297.518 Base-Backbone interact. energy: -2.749 local terms energy: -413.125055 where: bonds (distance) C4'-P energy: -101.869 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -108.419 flat angles P-C4'-P energy: -70.016 tors. eta vs tors. theta energy: -35.450 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: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2599.296595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.296595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.296595 (E_RNA) where: Base-Base interactions energy: -1857.970 where: short stacking energy: -751.196 Base-Backbone interact. energy: 5.687 local terms energy: -747.013782 where: bonds (distance) C4'-P energy: -131.559 bonds (distance) P-C4' energy: -140.996 flat angles C4'-P-C4' energy: -155.596 flat angles P-C4'-P energy: -100.838 tors. eta vs tors. theta energy: -218.024 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: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2531.624630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.624630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.624630 (E_RNA) where: Base-Base interactions energy: -1767.735 where: short stacking energy: -731.068 Base-Backbone interact. energy: -0.604 local terms energy: -763.285865 where: bonds (distance) C4'-P energy: -139.160 bonds (distance) P-C4' energy: -130.510 flat angles C4'-P-C4' energy: -166.649 flat angles P-C4'-P energy: -104.580 tors. eta vs tors. theta energy: -222.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2469.241846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.241846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.241846 (E_RNA) where: Base-Base interactions energy: -1746.658 where: short stacking energy: -706.948 Base-Backbone interact. energy: -0.346 local terms energy: -722.237543 where: bonds (distance) C4'-P energy: -116.614 bonds (distance) P-C4' energy: -134.285 flat angles C4'-P-C4' energy: -144.980 flat angles P-C4'-P energy: -106.107 tors. eta vs tors. theta energy: -220.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2399.066854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.066854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.066854 (E_RNA) where: Base-Base interactions energy: -1696.807 where: short stacking energy: -704.982 Base-Backbone interact. energy: -3.427 local terms energy: -698.832980 where: bonds (distance) C4'-P energy: -101.736 bonds (distance) P-C4' energy: -119.740 flat angles C4'-P-C4' energy: -156.295 flat angles P-C4'-P energy: -105.338 tors. eta vs tors. theta energy: -215.724 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: 215 Temperature: 1.100000 Total energy: -2251.921013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.921013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.921013 (E_RNA) where: Base-Base interactions energy: -1587.027 where: short stacking energy: -629.194 Base-Backbone interact. energy: 1.062 local terms energy: -665.955883 where: bonds (distance) C4'-P energy: -116.614 bonds (distance) P-C4' energy: -127.229 flat angles C4'-P-C4' energy: -141.142 flat angles P-C4'-P energy: -98.250 tors. eta vs tors. theta energy: -182.721 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: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2130.212566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.212566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.212566 (E_RNA) where: Base-Base interactions energy: -1485.305 where: short stacking energy: -617.533 Base-Backbone interact. energy: -2.603 local terms energy: -642.304781 where: bonds (distance) C4'-P energy: -117.514 bonds (distance) P-C4' energy: -104.328 flat angles C4'-P-C4' energy: -140.851 flat angles P-C4'-P energy: -93.515 tors. eta vs tors. theta energy: -186.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2051.750875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.750875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.750875 (E_RNA) where: Base-Base interactions energy: -1420.997 where: short stacking energy: -605.998 Base-Backbone interact. energy: 0.442 local terms energy: -631.195848 where: bonds (distance) C4'-P energy: -113.011 bonds (distance) P-C4' energy: -110.633 flat angles C4'-P-C4' energy: -138.289 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -188.870 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: 215 Temperature: 1.250000 Total energy: -1758.961531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.961531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.961531 (E_RNA) where: Base-Base interactions energy: -1225.500 where: short stacking energy: -517.434 Base-Backbone interact. energy: 0.195 local terms energy: -533.656772 where: bonds (distance) C4'-P energy: -87.082 bonds (distance) P-C4' energy: -114.570 flat angles C4'-P-C4' energy: -124.004 flat angles P-C4'-P energy: -65.577 tors. eta vs tors. theta energy: -142.424 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: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1105.244161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.244161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.244161 (E_RNA) where: Base-Base interactions energy: -670.930 where: short stacking energy: -327.683 Base-Backbone interact. energy: -1.101 local terms energy: -433.213026 where: bonds (distance) C4'-P energy: -108.163 bonds (distance) P-C4' energy: -114.854 flat angles C4'-P-C4' energy: -98.045 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -43.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1044.499385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.499385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.499385 (E_RNA) where: Base-Base interactions energy: -630.970 where: short stacking energy: -302.291 Base-Backbone interact. energy: 4.264 local terms energy: -417.793836 where: bonds (distance) C4'-P energy: -91.500 bonds (distance) P-C4' energy: -118.345 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -38.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2592.024090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.024090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.024090 (E_RNA) where: Base-Base interactions energy: -1819.487 where: short stacking energy: -758.273 Base-Backbone interact. energy: -1.503 local terms energy: -771.033708 where: bonds (distance) C4'-P energy: -134.934 bonds (distance) P-C4' energy: -144.620 flat angles C4'-P-C4' energy: -149.502 flat angles P-C4'-P energy: -116.843 tors. eta vs tors. theta energy: -225.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2529.785427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.785427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.785427 (E_RNA) where: Base-Base interactions energy: -1791.590 where: short stacking energy: -737.603 Base-Backbone interact. energy: -2.077 local terms energy: -736.118983 where: bonds (distance) C4'-P energy: -137.078 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -144.740 flat angles P-C4'-P energy: -104.134 tors. eta vs tors. theta energy: -225.525 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: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2487.520024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.520024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.520024 (E_RNA) where: Base-Base interactions energy: -1751.873 where: short stacking energy: -741.794 Base-Backbone interact. energy: -0.861 local terms energy: -734.786723 where: bonds (distance) C4'-P energy: -125.983 bonds (distance) P-C4' energy: -129.664 flat angles C4'-P-C4' energy: -147.266 flat angles P-C4'-P energy: -109.172 tors. eta vs tors. theta energy: -222.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2416.094510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.094510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.094510 (E_RNA) where: Base-Base interactions energy: -1700.636 where: short stacking energy: -720.972 Base-Backbone interact. energy: 0.177 local terms energy: -715.634823 where: bonds (distance) C4'-P energy: -128.342 bonds (distance) P-C4' energy: -112.004 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -108.118 tors. eta vs tors. theta energy: -213.492 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: 9 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2255.830101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.830101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.830101 (E_RNA) where: Base-Base interactions energy: -1597.943 where: short stacking energy: -647.929 Base-Backbone interact. energy: -2.246 local terms energy: -655.641643 where: bonds (distance) C4'-P energy: -124.133 bonds (distance) P-C4' energy: -128.031 flat angles C4'-P-C4' energy: -140.015 flat angles P-C4'-P energy: -72.179 tors. eta vs tors. theta energy: -191.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2125.538950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.538950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.538950 (E_RNA) where: Base-Base interactions energy: -1488.436 where: short stacking energy: -614.731 Base-Backbone interact. energy: 0.938 local terms energy: -638.040198 where: bonds (distance) C4'-P energy: -119.108 bonds (distance) P-C4' energy: -130.140 flat angles C4'-P-C4' energy: -118.640 flat angles P-C4'-P energy: -90.649 tors. eta vs tors. theta energy: -179.503 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: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2069.433063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.433063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.433063 (E_RNA) where: Base-Base interactions energy: -1438.923 where: short stacking energy: -603.925 Base-Backbone interact. energy: -1.896 local terms energy: -628.614004 where: bonds (distance) C4'-P energy: -105.415 bonds (distance) P-C4' energy: -121.081 flat angles C4'-P-C4' energy: -141.253 flat angles P-C4'-P energy: -84.251 tors. eta vs tors. theta energy: -176.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1676.722637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.722637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.722637 (E_RNA) where: Base-Base interactions energy: -1170.494 where: short stacking energy: -478.663 Base-Backbone interact. energy: -4.051 local terms energy: -502.177405 where: bonds (distance) C4'-P energy: -100.204 bonds (distance) P-C4' energy: -102.284 flat angles C4'-P-C4' energy: -110.681 flat angles P-C4'-P energy: -65.018 tors. eta vs tors. theta energy: -123.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1099.818324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.818324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.818324 (E_RNA) where: Base-Base interactions energy: -674.296 where: short stacking energy: -305.970 Base-Backbone interact. energy: -3.229 local terms energy: -422.293121 where: bonds (distance) C4'-P energy: -103.151 bonds (distance) P-C4' energy: -117.368 flat angles C4'-P-C4' energy: -95.671 flat angles P-C4'-P energy: -67.361 tors. eta vs tors. theta energy: -38.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1003.466961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.466961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.466961 (E_RNA) where: Base-Base interactions energy: -608.617 where: short stacking energy: -300.821 Base-Backbone interact. energy: -4.769 local terms energy: -390.080872 where: bonds (distance) C4'-P energy: -101.486 bonds (distance) P-C4' energy: -88.272 flat angles C4'-P-C4' energy: -93.878 flat angles P-C4'-P energy: -69.049 tors. eta vs tors. theta energy: -37.396 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: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2572.163076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.163076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.163076 (E_RNA) where: Base-Base interactions energy: -1824.227 where: short stacking energy: -753.734 Base-Backbone interact. energy: 0.404 local terms energy: -748.339478 where: bonds (distance) C4'-P energy: -130.108 bonds (distance) P-C4' energy: -136.382 flat angles C4'-P-C4' energy: -147.890 flat angles P-C4'-P energy: -109.452 tors. eta vs tors. theta energy: -224.508 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: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2538.914310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.914310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.914310 (E_RNA) where: Base-Base interactions energy: -1826.919 where: short stacking energy: -741.798 Base-Backbone interact. energy: -2.191 local terms energy: -709.804520 where: bonds (distance) C4'-P energy: -127.355 bonds (distance) P-C4' energy: -126.771 flat angles C4'-P-C4' energy: -152.142 flat angles P-C4'-P energy: -93.624 tors. eta vs tors. theta energy: -209.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2498.388979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.388979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.388979 (E_RNA) where: Base-Base interactions energy: -1769.225 where: short stacking energy: -705.915 Base-Backbone interact. energy: -1.474 local terms energy: -727.689764 where: bonds (distance) C4'-P energy: -121.729 bonds (distance) P-C4' energy: -132.010 flat angles C4'-P-C4' energy: -151.517 flat angles P-C4'-P energy: -102.464 tors. eta vs tors. theta energy: -219.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2435.062207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.062207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.062207 (E_RNA) where: Base-Base interactions energy: -1726.499 where: short stacking energy: -709.288 Base-Backbone interact. energy: -4.131 local terms energy: -704.432091 where: bonds (distance) C4'-P energy: -121.365 bonds (distance) P-C4' energy: -129.246 flat angles C4'-P-C4' energy: -146.056 flat angles P-C4'-P energy: -97.977 tors. eta vs tors. theta energy: -209.788 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: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2215.418125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.418125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.418125 (E_RNA) where: Base-Base interactions energy: -1581.590 where: short stacking energy: -646.703 Base-Backbone interact. energy: -3.017 local terms energy: -630.810290 where: bonds (distance) C4'-P energy: -103.414 bonds (distance) P-C4' energy: -112.730 flat angles C4'-P-C4' energy: -138.075 flat angles P-C4'-P energy: -90.787 tors. eta vs tors. theta energy: -185.804 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: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2166.090182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.090182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.090182 (E_RNA) where: Base-Base interactions energy: -1526.572 where: short stacking energy: -637.050 Base-Backbone interact. energy: -0.148 local terms energy: -639.370176 where: bonds (distance) C4'-P energy: -111.327 bonds (distance) P-C4' energy: -114.370 flat angles C4'-P-C4' energy: -134.822 flat angles P-C4'-P energy: -96.921 tors. eta vs tors. theta energy: -181.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2027.446037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.446037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.446037 (E_RNA) where: Base-Base interactions energy: -1394.379 where: short stacking energy: -600.315 Base-Backbone interact. energy: -1.744 local terms energy: -631.323480 where: bonds (distance) C4'-P energy: -103.137 bonds (distance) P-C4' energy: -122.923 flat angles C4'-P-C4' energy: -147.137 flat angles P-C4'-P energy: -79.113 tors. eta vs tors. theta energy: -179.013 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: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1674.254777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.254777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.254777 (E_RNA) where: Base-Base interactions energy: -1148.136 where: short stacking energy: -514.934 Base-Backbone interact. energy: -0.703 local terms energy: -525.416080 where: bonds (distance) C4'-P energy: -106.652 bonds (distance) P-C4' energy: -112.592 flat angles C4'-P-C4' energy: -109.043 flat angles P-C4'-P energy: -74.398 tors. eta vs tors. theta energy: -122.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1143.507008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.507008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.507008 (E_RNA) where: Base-Base interactions energy: -705.947 where: short stacking energy: -345.574 Base-Backbone interact. energy: 0.542 local terms energy: -438.101384 where: bonds (distance) C4'-P energy: -108.283 bonds (distance) P-C4' energy: -100.161 flat angles C4'-P-C4' energy: -110.899 flat angles P-C4'-P energy: -67.559 tors. eta vs tors. theta energy: -51.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -976.463175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.463175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.463175 (E_RNA) where: Base-Base interactions energy: -596.223 where: short stacking energy: -284.930 Base-Backbone interact. energy: 1.822 local terms energy: -382.062542 where: bonds (distance) C4'-P energy: -104.853 bonds (distance) P-C4' energy: -102.007 flat angles C4'-P-C4' energy: -105.934 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2588.721077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.721077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.721077 (E_RNA) where: Base-Base interactions energy: -1812.009 where: short stacking energy: -760.936 Base-Backbone interact. energy: -2.602 local terms energy: -774.110268 where: bonds (distance) C4'-P energy: -135.868 bonds (distance) P-C4' energy: -143.942 flat angles C4'-P-C4' energy: -146.562 flat angles P-C4'-P energy: -116.049 tors. eta vs tors. theta energy: -231.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2509.845384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.845384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.845384 (E_RNA) where: Base-Base interactions energy: -1812.570 where: short stacking energy: -746.348 Base-Backbone interact. energy: -1.492 local terms energy: -695.783054 where: bonds (distance) C4'-P energy: -109.426 bonds (distance) P-C4' energy: -131.202 flat angles C4'-P-C4' energy: -148.580 flat angles P-C4'-P energy: -91.953 tors. eta vs tors. theta energy: -214.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2514.581341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.581341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.581341 (E_RNA) where: Base-Base interactions energy: -1828.679 where: short stacking energy: -746.557 Base-Backbone interact. energy: -2.639 local terms energy: -683.263734 where: bonds (distance) C4'-P energy: -109.576 bonds (distance) P-C4' energy: -106.681 flat angles C4'-P-C4' energy: -145.215 flat angles P-C4'-P energy: -95.781 tors. eta vs tors. theta energy: -226.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2377.225785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.225785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.225785 (E_RNA) where: Base-Base interactions energy: -1676.195 where: short stacking energy: -706.412 Base-Backbone interact. energy: -3.091 local terms energy: -697.939293 where: bonds (distance) C4'-P energy: -117.618 bonds (distance) P-C4' energy: -112.715 flat angles C4'-P-C4' energy: -148.125 flat angles P-C4'-P energy: -91.122 tors. eta vs tors. theta energy: -228.360 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: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2243.173070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.173070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.173070 (E_RNA) where: Base-Base interactions energy: -1575.996 where: short stacking energy: -655.558 Base-Backbone interact. energy: 2.260 local terms energy: -669.437797 where: bonds (distance) C4'-P energy: -118.872 bonds (distance) P-C4' energy: -122.915 flat angles C4'-P-C4' energy: -140.747 flat angles P-C4'-P energy: -92.944 tors. eta vs tors. theta energy: -193.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2114.943351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.943351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.943351 (E_RNA) where: Base-Base interactions energy: -1501.633 where: short stacking energy: -622.432 Base-Backbone interact. energy: 2.463 local terms energy: -615.773610 where: bonds (distance) C4'-P energy: -110.469 bonds (distance) P-C4' energy: -118.467 flat angles C4'-P-C4' energy: -126.007 flat angles P-C4'-P energy: -84.087 tors. eta vs tors. theta energy: -176.743 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: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1992.317598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.317598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.317598 (E_RNA) where: Base-Base interactions energy: -1402.884 where: short stacking energy: -590.016 Base-Backbone interact. energy: 0.686 local terms energy: -590.119731 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -106.113 flat angles C4'-P-C4' energy: -134.905 flat angles P-C4'-P energy: -72.714 tors. eta vs tors. theta energy: -165.781 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: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1671.577484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.577484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.577484 (E_RNA) where: Base-Base interactions energy: -1135.507 where: short stacking energy: -499.841 Base-Backbone interact. energy: -0.491 local terms energy: -535.579230 where: bonds (distance) C4'-P energy: -118.408 bonds (distance) P-C4' energy: -110.889 flat angles C4'-P-C4' energy: -115.950 flat angles P-C4'-P energy: -56.627 tors. eta vs tors. theta energy: -133.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1148.513610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.513610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.513610 (E_RNA) where: Base-Base interactions energy: -716.502 where: short stacking energy: -312.059 Base-Backbone interact. energy: 3.282 local terms energy: -435.293332 where: bonds (distance) C4'-P energy: -110.110 bonds (distance) P-C4' energy: -99.383 flat angles C4'-P-C4' energy: -119.440 flat angles P-C4'-P energy: -70.661 tors. eta vs tors. theta energy: -35.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -978.682657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.682657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.682657 (E_RNA) where: Base-Base interactions energy: -586.733 where: short stacking energy: -276.933 Base-Backbone interact. energy: 2.140 local terms energy: -394.089525 where: bonds (distance) C4'-P energy: -111.660 bonds (distance) P-C4' energy: -122.790 flat angles C4'-P-C4' energy: -93.215 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: -20.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2549.322620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.322620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.322620 (E_RNA) where: Base-Base interactions energy: -1772.007 where: short stacking energy: -755.807 Base-Backbone interact. energy: -1.777 local terms energy: -775.539121 where: bonds (distance) C4'-P energy: -138.192 bonds (distance) P-C4' energy: -137.294 flat angles C4'-P-C4' energy: -162.851 flat angles P-C4'-P energy: -105.435 tors. eta vs tors. theta energy: -231.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2532.798987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.798987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.798987 (E_RNA) where: Base-Base interactions energy: -1785.675 where: short stacking energy: -731.443 Base-Backbone interact. energy: -2.788 local terms energy: -744.336014 where: bonds (distance) C4'-P energy: -123.628 bonds (distance) P-C4' energy: -129.306 flat angles C4'-P-C4' energy: -155.470 flat angles P-C4'-P energy: -116.306 tors. eta vs tors. theta energy: -219.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2492.705047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.705047 (E_RNA) where: Base-Base interactions energy: -1774.304 where: short stacking energy: -743.597 Base-Backbone interact. energy: -0.989 local terms energy: -717.412014 where: bonds (distance) C4'-P energy: -131.655 bonds (distance) P-C4' energy: -123.658 flat angles C4'-P-C4' energy: -154.770 flat angles P-C4'-P energy: -98.641 tors. eta vs tors. theta energy: -208.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2399.052563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.052563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.052563 (E_RNA) where: Base-Base interactions energy: -1717.839 where: short stacking energy: -719.988 Base-Backbone interact. energy: 4.289 local terms energy: -685.502855 where: bonds (distance) C4'-P energy: -116.285 bonds (distance) P-C4' energy: -111.798 flat angles C4'-P-C4' energy: -147.428 flat angles P-C4'-P energy: -93.528 tors. eta vs tors. theta energy: -216.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2239.320759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.320759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.320759 (E_RNA) where: Base-Base interactions energy: -1585.348 where: short stacking energy: -651.932 Base-Backbone interact. energy: -1.020 local terms energy: -652.952871 where: bonds (distance) C4'-P energy: -110.651 bonds (distance) P-C4' energy: -116.433 flat angles C4'-P-C4' energy: -142.008 flat angles P-C4'-P energy: -94.071 tors. eta vs tors. theta energy: -189.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2110.053431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.053431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.053431 (E_RNA) where: Base-Base interactions energy: -1468.994 where: short stacking energy: -600.243 Base-Backbone interact. energy: -0.977 local terms energy: -640.082962 where: bonds (distance) C4'-P energy: -128.604 bonds (distance) P-C4' energy: -129.980 flat angles C4'-P-C4' energy: -131.682 flat angles P-C4'-P energy: -78.711 tors. eta vs tors. theta energy: -171.105 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: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2037.732461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.732461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.732461 (E_RNA) where: Base-Base interactions energy: -1409.436 where: short stacking energy: -584.785 Base-Backbone interact. energy: 1.902 local terms energy: -630.198662 where: bonds (distance) C4'-P energy: -117.971 bonds (distance) P-C4' energy: -108.969 flat angles C4'-P-C4' energy: -128.551 flat angles P-C4'-P energy: -98.817 tors. eta vs tors. theta energy: -175.890 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: 219 Temperature: 1.250000 Total energy: -1687.704938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.704938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.704938 (E_RNA) where: Base-Base interactions energy: -1112.094 where: short stacking energy: -459.406 Base-Backbone interact. energy: -1.476 local terms energy: -574.135194 where: bonds (distance) C4'-P energy: -116.616 bonds (distance) P-C4' energy: -110.974 flat angles C4'-P-C4' energy: -131.478 flat angles P-C4'-P energy: -85.705 tors. eta vs tors. theta energy: -129.363 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: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1164.357444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.357444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.357444 (E_RNA) where: Base-Base interactions energy: -740.749 where: short stacking energy: -314.959 Base-Backbone interact. energy: 7.093 local terms energy: -430.702293 where: bonds (distance) C4'-P energy: -113.057 bonds (distance) P-C4' energy: -109.605 flat angles C4'-P-C4' energy: -96.657 flat angles P-C4'-P energy: -62.487 tors. eta vs tors. theta energy: -48.896 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: 219 Temperature: 1.350000 Total energy: -896.441835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.441835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.441835 (E_RNA) where: Base-Base interactions energy: -503.699 where: short stacking energy: -257.890 Base-Backbone interact. energy: -0.056 local terms energy: -392.687256 where: bonds (distance) C4'-P energy: -109.373 bonds (distance) P-C4' energy: -108.420 flat angles C4'-P-C4' energy: -94.352 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: -20.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2605.524742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.524742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.524742 (E_RNA) where: Base-Base interactions energy: -1852.080 where: short stacking energy: -770.829 Base-Backbone interact. energy: -0.713 local terms energy: -752.731831 where: bonds (distance) C4'-P energy: -138.319 bonds (distance) P-C4' energy: -122.510 flat angles C4'-P-C4' energy: -149.775 flat angles P-C4'-P energy: -110.880 tors. eta vs tors. theta energy: -231.247 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: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2538.953239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.953239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.953239 (E_RNA) where: Base-Base interactions energy: -1804.695 where: short stacking energy: -737.039 Base-Backbone interact. energy: 1.878 local terms energy: -736.136571 where: bonds (distance) C4'-P energy: -125.092 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -163.847 flat angles P-C4'-P energy: -104.467 tors. eta vs tors. theta energy: -221.708 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: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2468.714006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.714006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.714006 (E_RNA) where: Base-Base interactions energy: -1761.274 where: short stacking energy: -723.094 Base-Backbone interact. energy: -1.868 local terms energy: -705.572331 where: bonds (distance) C4'-P energy: -102.206 bonds (distance) P-C4' energy: -129.912 flat angles C4'-P-C4' energy: -155.278 flat angles P-C4'-P energy: -106.392 tors. eta vs tors. theta energy: -211.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2391.440196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.440196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.440196 (E_RNA) where: Base-Base interactions energy: -1696.281 where: short stacking energy: -692.232 Base-Backbone interact. energy: -3.143 local terms energy: -692.016317 where: bonds (distance) C4'-P energy: -130.995 bonds (distance) P-C4' energy: -124.468 flat angles C4'-P-C4' energy: -134.581 flat angles P-C4'-P energy: -85.699 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: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2244.538113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.538113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.538113 (E_RNA) where: Base-Base interactions energy: -1591.324 where: short stacking energy: -642.934 Base-Backbone interact. energy: 1.349 local terms energy: -654.563054 where: bonds (distance) C4'-P energy: -121.210 bonds (distance) P-C4' energy: -118.381 flat angles C4'-P-C4' energy: -131.539 flat angles P-C4'-P energy: -98.316 tors. eta vs tors. theta energy: -185.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2133.425840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.425840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.425840 (E_RNA) where: Base-Base interactions energy: -1496.659 where: short stacking energy: -618.849 Base-Backbone interact. energy: -1.617 local terms energy: -635.149514 where: bonds (distance) C4'-P energy: -116.084 bonds (distance) P-C4' energy: -117.818 flat angles C4'-P-C4' energy: -128.998 flat angles P-C4'-P energy: -93.985 tors. eta vs tors. theta energy: -178.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1997.396844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.396844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.396844 (E_RNA) where: Base-Base interactions energy: -1390.936 where: short stacking energy: -590.022 Base-Backbone interact. energy: -0.619 local terms energy: -605.841073 where: bonds (distance) C4'-P energy: -114.125 bonds (distance) P-C4' energy: -98.816 flat angles C4'-P-C4' energy: -139.475 flat angles P-C4'-P energy: -91.975 tors. eta vs tors. theta energy: -161.450 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: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1721.231776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.231776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.231776 (E_RNA) where: Base-Base interactions energy: -1189.842 where: short stacking energy: -500.467 Base-Backbone interact. energy: 6.648 local terms energy: -538.037882 where: bonds (distance) C4'-P energy: -107.629 bonds (distance) P-C4' energy: -105.544 flat angles C4'-P-C4' energy: -117.681 flat angles P-C4'-P energy: -69.599 tors. eta vs tors. theta energy: -137.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1177.759857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.759857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.759857 (E_RNA) where: Base-Base interactions energy: -740.180 where: short stacking energy: -320.811 Base-Backbone interact. energy: -2.423 local terms energy: -435.156768 where: bonds (distance) C4'-P energy: -97.939 bonds (distance) P-C4' energy: -106.941 flat angles C4'-P-C4' energy: -104.263 flat angles P-C4'-P energy: -73.288 tors. eta vs tors. theta energy: -52.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -897.761263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.761263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.761263 (E_RNA) where: Base-Base interactions energy: -533.006 where: short stacking energy: -262.789 Base-Backbone interact. energy: 9.698 local terms energy: -374.452684 where: bonds (distance) C4'-P energy: -88.041 bonds (distance) P-C4' energy: -114.151 flat angles C4'-P-C4' energy: -106.496 flat angles P-C4'-P energy: -52.977 tors. eta vs tors. theta energy: -12.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2638.317749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.317749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.317749 (E_RNA) where: Base-Base interactions energy: -1869.112 where: short stacking energy: -777.865 Base-Backbone interact. energy: -2.659 local terms energy: -766.546591 where: bonds (distance) C4'-P energy: -127.417 bonds (distance) P-C4' energy: -133.000 flat angles C4'-P-C4' energy: -160.746 flat angles P-C4'-P energy: -120.549 tors. eta vs tors. theta energy: -224.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2524.266733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.266733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.266733 (E_RNA) where: Base-Base interactions energy: -1799.796 where: short stacking energy: -751.781 Base-Backbone interact. energy: 0.516 local terms energy: -724.986757 where: bonds (distance) C4'-P energy: -126.844 bonds (distance) P-C4' energy: -108.340 flat angles C4'-P-C4' energy: -156.625 flat angles P-C4'-P energy: -101.455 tors. eta vs tors. theta energy: -231.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2485.697712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.697712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.697712 (E_RNA) where: Base-Base interactions energy: -1759.833 where: short stacking energy: -706.925 Base-Backbone interact. energy: 0.012 local terms energy: -725.876427 where: bonds (distance) C4'-P energy: -131.976 bonds (distance) P-C4' energy: -114.055 flat angles C4'-P-C4' energy: -161.365 flat angles P-C4'-P energy: -97.572 tors. eta vs tors. theta energy: -220.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2408.709066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.709066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.709066 (E_RNA) where: Base-Base interactions energy: -1696.589 where: short stacking energy: -714.222 Base-Backbone interact. energy: -2.738 local terms energy: -709.382696 where: bonds (distance) C4'-P energy: -122.485 bonds (distance) P-C4' energy: -131.192 flat angles C4'-P-C4' energy: -147.641 flat angles P-C4'-P energy: -88.682 tors. eta vs tors. theta energy: -219.383 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: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2258.095354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.095354 (E_RNA) where: Base-Base interactions energy: -1599.822 where: short stacking energy: -645.689 Base-Backbone interact. energy: -4.753 local terms energy: -653.520333 where: bonds (distance) C4'-P energy: -113.835 bonds (distance) P-C4' energy: -104.988 flat angles C4'-P-C4' energy: -144.020 flat angles P-C4'-P energy: -98.675 tors. eta vs tors. theta energy: -192.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2171.701804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.701804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.701804 (E_RNA) where: Base-Base interactions energy: -1519.228 where: short stacking energy: -611.818 Base-Backbone interact. energy: -1.681 local terms energy: -650.792109 where: bonds (distance) C4'-P energy: -115.405 bonds (distance) P-C4' energy: -118.058 flat angles C4'-P-C4' energy: -135.042 flat angles P-C4'-P energy: -96.697 tors. eta vs tors. theta energy: -185.590 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: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2028.308369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.308369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.308369 (E_RNA) where: Base-Base interactions energy: -1440.659 where: short stacking energy: -592.286 Base-Backbone interact. energy: 0.261 local terms energy: -587.910221 where: bonds (distance) C4'-P energy: -110.616 bonds (distance) P-C4' energy: -118.715 flat angles C4'-P-C4' energy: -119.216 flat angles P-C4'-P energy: -82.324 tors. eta vs tors. theta energy: -157.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1718.987745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.987745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.987745 (E_RNA) where: Base-Base interactions energy: -1195.513 where: short stacking energy: -501.967 Base-Backbone interact. energy: 1.390 local terms energy: -524.865128 where: bonds (distance) C4'-P energy: -77.719 bonds (distance) P-C4' energy: -114.986 flat angles C4'-P-C4' energy: -124.448 flat angles P-C4'-P energy: -83.905 tors. eta vs tors. theta energy: -123.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1191.039864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.039864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.039864 (E_RNA) where: Base-Base interactions energy: -727.400 where: short stacking energy: -340.147 Base-Backbone interact. energy: -1.779 local terms energy: -461.861561 where: bonds (distance) C4'-P energy: -113.164 bonds (distance) P-C4' energy: -107.492 flat angles C4'-P-C4' energy: -127.720 flat angles P-C4'-P energy: -60.794 tors. eta vs tors. theta energy: -52.691 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: 221 Temperature: 1.350000 Total energy: -956.233102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.233102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.233102 (E_RNA) where: Base-Base interactions energy: -545.553 where: short stacking energy: -265.073 Base-Backbone interact. energy: -2.340 local terms energy: -408.340497 where: bonds (distance) C4'-P energy: -113.031 bonds (distance) P-C4' energy: -117.436 flat angles C4'-P-C4' energy: -83.593 flat angles P-C4'-P energy: -64.519 tors. eta vs tors. theta energy: -29.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2596.950057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.950057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.950057 (E_RNA) where: Base-Base interactions energy: -1832.034 where: short stacking energy: -757.576 Base-Backbone interact. energy: -2.671 local terms energy: -762.245425 where: bonds (distance) C4'-P energy: -134.103 bonds (distance) P-C4' energy: -137.126 flat angles C4'-P-C4' energy: -164.143 flat angles P-C4'-P energy: -103.005 tors. eta vs tors. theta energy: -223.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2519.949502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.949502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.949502 (E_RNA) where: Base-Base interactions energy: -1781.213 where: short stacking energy: -752.355 Base-Backbone interact. energy: -1.410 local terms energy: -737.326749 where: bonds (distance) C4'-P energy: -117.393 bonds (distance) P-C4' energy: -127.115 flat angles C4'-P-C4' energy: -159.361 flat angles P-C4'-P energy: -111.800 tors. eta vs tors. theta energy: -221.658 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: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2477.546776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.546776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.546776 (E_RNA) where: Base-Base interactions energy: -1753.193 where: short stacking energy: -712.706 Base-Backbone interact. energy: -0.518 local terms energy: -723.835896 where: bonds (distance) C4'-P energy: -119.008 bonds (distance) P-C4' energy: -135.210 flat angles C4'-P-C4' energy: -154.548 flat angles P-C4'-P energy: -92.525 tors. eta vs tors. theta energy: -222.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2398.664553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.664553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.664553 (E_RNA) where: Base-Base interactions energy: -1699.235 where: short stacking energy: -698.616 Base-Backbone interact. energy: -1.574 local terms energy: -697.855722 where: bonds (distance) C4'-P energy: -119.903 bonds (distance) P-C4' energy: -114.946 flat angles C4'-P-C4' energy: -147.492 flat angles P-C4'-P energy: -97.137 tors. eta vs tors. theta energy: -218.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2251.659670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.659670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.659670 (E_RNA) where: Base-Base interactions energy: -1591.163 where: short stacking energy: -666.150 Base-Backbone interact. energy: -2.813 local terms energy: -657.684116 where: bonds (distance) C4'-P energy: -117.106 bonds (distance) P-C4' energy: -109.869 flat angles C4'-P-C4' energy: -135.374 flat angles P-C4'-P energy: -94.859 tors. eta vs tors. theta energy: -200.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2219.536903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.536903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.536903 (E_RNA) where: Base-Base interactions energy: -1570.109 where: short stacking energy: -646.876 Base-Backbone interact. energy: -3.380 local terms energy: -646.048222 where: bonds (distance) C4'-P energy: -103.546 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -140.302 flat angles P-C4'-P energy: -93.500 tors. eta vs tors. theta energy: -190.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1969.253500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.253500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.253500 (E_RNA) where: Base-Base interactions energy: -1367.433 where: short stacking energy: -569.746 Base-Backbone interact. energy: 2.679 local terms energy: -604.499224 where: bonds (distance) C4'-P energy: -104.715 bonds (distance) P-C4' energy: -114.963 flat angles C4'-P-C4' energy: -129.004 flat angles P-C4'-P energy: -93.190 tors. eta vs tors. theta energy: -162.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1720.649806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.649806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.649806 (E_RNA) where: Base-Base interactions energy: -1145.538 where: short stacking energy: -508.949 Base-Backbone interact. energy: -4.778 local terms energy: -570.334284 where: bonds (distance) C4'-P energy: -107.254 bonds (distance) P-C4' energy: -109.795 flat angles C4'-P-C4' energy: -115.923 flat angles P-C4'-P energy: -97.336 tors. eta vs tors. theta energy: -140.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1147.132864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.132864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.132864 (E_RNA) where: Base-Base interactions energy: -685.762 where: short stacking energy: -310.611 Base-Backbone interact. energy: 0.050 local terms energy: -461.420731 where: bonds (distance) C4'-P energy: -123.911 bonds (distance) P-C4' energy: -98.214 flat angles C4'-P-C4' energy: -104.562 flat angles P-C4'-P energy: -82.163 tors. eta vs tors. theta energy: -52.571 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: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -933.042159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.042159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.042159 (E_RNA) where: Base-Base interactions energy: -536.696 where: short stacking energy: -269.148 Base-Backbone interact. energy: 0.503 local terms energy: -396.849480 where: bonds (distance) C4'-P energy: -108.457 bonds (distance) P-C4' energy: -106.631 flat angles C4'-P-C4' energy: -93.391 flat angles P-C4'-P energy: -73.455 tors. eta vs tors. theta energy: -14.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2618.102133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.102133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.102133 (E_RNA) where: Base-Base interactions energy: -1837.255 where: short stacking energy: -759.798 Base-Backbone interact. energy: -2.793 local terms energy: -778.054100 where: bonds (distance) C4'-P energy: -123.595 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -164.365 flat angles P-C4'-P energy: -121.311 tors. eta vs tors. theta energy: -230.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2505.935936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.935936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.935936 (E_RNA) where: Base-Base interactions energy: -1779.178 where: short stacking energy: -754.766 Base-Backbone interact. energy: 0.085 local terms energy: -726.842659 where: bonds (distance) C4'-P energy: -112.140 bonds (distance) P-C4' energy: -121.467 flat angles C4'-P-C4' energy: -159.204 flat angles P-C4'-P energy: -108.963 tors. eta vs tors. theta energy: -225.068 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: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2494.513101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.513101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.513101 (E_RNA) where: Base-Base interactions energy: -1754.531 where: short stacking energy: -704.253 Base-Backbone interact. energy: -1.108 local terms energy: -738.873914 where: bonds (distance) C4'-P energy: -124.229 bonds (distance) P-C4' energy: -131.118 flat angles C4'-P-C4' energy: -152.445 flat angles P-C4'-P energy: -107.543 tors. eta vs tors. theta energy: -223.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2406.691936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.691936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.691936 (E_RNA) where: Base-Base interactions energy: -1697.715 where: short stacking energy: -733.475 Base-Backbone interact. energy: -0.570 local terms energy: -708.406786 where: bonds (distance) C4'-P energy: -122.763 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -149.572 flat angles P-C4'-P energy: -97.040 tors. eta vs tors. theta energy: -229.987 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: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2267.884809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.884809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.884809 (E_RNA) where: Base-Base interactions energy: -1606.077 where: short stacking energy: -658.934 Base-Backbone interact. energy: -3.698 local terms energy: -658.109452 where: bonds (distance) C4'-P energy: -119.989 bonds (distance) P-C4' energy: -99.519 flat angles C4'-P-C4' energy: -142.695 flat angles P-C4'-P energy: -93.044 tors. eta vs tors. theta energy: -202.863 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: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2265.986350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.986350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.986350 (E_RNA) where: Base-Base interactions energy: -1598.349 where: short stacking energy: -653.430 Base-Backbone interact. energy: -2.153 local terms energy: -665.484390 where: bonds (distance) C4'-P energy: -103.419 bonds (distance) P-C4' energy: -129.454 flat angles C4'-P-C4' energy: -137.092 flat angles P-C4'-P energy: -102.551 tors. eta vs tors. theta energy: -192.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1994.006242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.006242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.006242 (E_RNA) where: Base-Base interactions energy: -1410.675 where: short stacking energy: -580.781 Base-Backbone interact. energy: -1.960 local terms energy: -581.371201 where: bonds (distance) C4'-P energy: -105.403 bonds (distance) P-C4' energy: -92.612 flat angles C4'-P-C4' energy: -128.527 flat angles P-C4'-P energy: -90.214 tors. eta vs tors. theta energy: -164.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1790.749275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.749275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.749275 (E_RNA) where: Base-Base interactions energy: -1215.424 where: short stacking energy: -484.473 Base-Backbone interact. energy: -2.957 local terms energy: -572.368270 where: bonds (distance) C4'-P energy: -116.164 bonds (distance) P-C4' energy: -105.387 flat angles C4'-P-C4' energy: -116.378 flat angles P-C4'-P energy: -99.313 tors. eta vs tors. theta energy: -135.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1094.639281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.639281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.639281 (E_RNA) where: Base-Base interactions energy: -661.150 where: short stacking energy: -307.044 Base-Backbone interact. energy: -2.180 local terms energy: -431.309338 where: bonds (distance) C4'-P energy: -106.807 bonds (distance) P-C4' energy: -90.814 flat angles C4'-P-C4' energy: -123.297 flat angles P-C4'-P energy: -59.515 tors. eta vs tors. theta energy: -50.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -929.893501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.893501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.893501 (E_RNA) where: Base-Base interactions energy: -531.890 where: short stacking energy: -291.329 Base-Backbone interact. energy: -2.722 local terms energy: -395.281589 where: bonds (distance) C4'-P energy: -95.863 bonds (distance) P-C4' energy: -112.124 flat angles C4'-P-C4' energy: -104.327 flat angles P-C4'-P energy: -36.203 tors. eta vs tors. theta energy: -46.766 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: 224 Temperature: 0.900000 Total energy: -2646.902374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.902374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.902374 (E_RNA) where: Base-Base interactions energy: -1883.063 where: short stacking energy: -766.830 Base-Backbone interact. energy: -2.261 local terms energy: -761.578646 where: bonds (distance) C4'-P energy: -138.494 bonds (distance) P-C4' energy: -136.308 flat angles C4'-P-C4' energy: -158.763 flat angles P-C4'-P energy: -100.577 tors. eta vs tors. theta energy: -227.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2507.111511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.111511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.111511 (E_RNA) where: Base-Base interactions energy: -1775.736 where: short stacking energy: -751.656 Base-Backbone interact. energy: -2.824 local terms energy: -728.551371 where: bonds (distance) C4'-P energy: -137.706 bonds (distance) P-C4' energy: -122.326 flat angles C4'-P-C4' energy: -158.553 flat angles P-C4'-P energy: -90.559 tors. eta vs tors. theta energy: -219.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2473.430113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.430113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.430113 (E_RNA) where: Base-Base interactions energy: -1757.618 where: short stacking energy: -699.596 Base-Backbone interact. energy: -0.448 local terms energy: -715.364179 where: bonds (distance) C4'-P energy: -114.121 bonds (distance) P-C4' energy: -126.988 flat angles C4'-P-C4' energy: -152.894 flat angles P-C4'-P energy: -104.795 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: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2387.711757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.711757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.711757 (E_RNA) where: Base-Base interactions energy: -1674.493 where: short stacking energy: -724.586 Base-Backbone interact. energy: -0.182 local terms energy: -713.036974 where: bonds (distance) C4'-P energy: -121.719 bonds (distance) P-C4' energy: -130.912 flat angles C4'-P-C4' energy: -143.113 flat angles P-C4'-P energy: -92.865 tors. eta vs tors. theta energy: -224.428 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: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2282.167939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.167939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.167939 (E_RNA) where: Base-Base interactions energy: -1602.913 where: short stacking energy: -657.672 Base-Backbone interact. energy: -1.728 local terms energy: -677.526952 where: bonds (distance) C4'-P energy: -116.692 bonds (distance) P-C4' energy: -118.833 flat angles C4'-P-C4' energy: -139.277 flat angles P-C4'-P energy: -97.127 tors. eta vs tors. theta energy: -205.597 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: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2174.196664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.196664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.196664 (E_RNA) where: Base-Base interactions energy: -1537.806 where: short stacking energy: -650.005 Base-Backbone interact. energy: 4.152 local terms energy: -640.542889 where: bonds (distance) C4'-P energy: -112.817 bonds (distance) P-C4' energy: -112.417 flat angles C4'-P-C4' energy: -128.136 flat angles P-C4'-P energy: -95.149 tors. eta vs tors. theta energy: -192.023 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: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1973.507869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.507869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.507869 (E_RNA) where: Base-Base interactions energy: -1398.315 where: short stacking energy: -598.423 Base-Backbone interact. energy: 1.123 local terms energy: -576.314947 where: bonds (distance) C4'-P energy: -117.671 bonds (distance) P-C4' energy: -115.606 flat angles C4'-P-C4' energy: -104.873 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: -160.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1755.072140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.072140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.072140 (E_RNA) where: Base-Base interactions energy: -1181.052 where: short stacking energy: -490.221 Base-Backbone interact. energy: 0.688 local terms energy: -574.708291 where: bonds (distance) C4'-P energy: -117.449 bonds (distance) P-C4' energy: -107.257 flat angles C4'-P-C4' energy: -133.895 flat angles P-C4'-P energy: -81.676 tors. eta vs tors. theta energy: -134.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1151.710522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.710522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.710522 (E_RNA) where: Base-Base interactions energy: -721.992 where: short stacking energy: -357.854 Base-Backbone interact. energy: -2.153 local terms energy: -427.565388 where: bonds (distance) C4'-P energy: -91.879 bonds (distance) P-C4' energy: -108.760 flat angles C4'-P-C4' energy: -115.557 flat angles P-C4'-P energy: -49.556 tors. eta vs tors. theta energy: -61.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -932.626166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.626166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.626166 (E_RNA) where: Base-Base interactions energy: -535.890 where: short stacking energy: -264.453 Base-Backbone interact. energy: 1.962 local terms energy: -398.698101 where: bonds (distance) C4'-P energy: -98.611 bonds (distance) P-C4' energy: -114.241 flat angles C4'-P-C4' energy: -104.497 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -35.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2618.778168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.778168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.778168 (E_RNA) where: Base-Base interactions energy: -1860.538 where: short stacking energy: -769.619 Base-Backbone interact. energy: -1.671 local terms energy: -756.569190 where: bonds (distance) C4'-P energy: -127.279 bonds (distance) P-C4' energy: -140.930 flat angles C4'-P-C4' energy: -163.807 flat angles P-C4'-P energy: -93.668 tors. eta vs tors. theta energy: -230.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2545.187705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.187705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.187705 (E_RNA) where: Base-Base interactions energy: -1797.361 where: short stacking energy: -747.967 Base-Backbone interact. energy: 0.030 local terms energy: -747.856979 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -141.596 flat angles C4'-P-C4' energy: -160.482 flat angles P-C4'-P energy: -99.304 tors. eta vs tors. theta energy: -217.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2486.005309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.005309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.005309 (E_RNA) where: Base-Base interactions energy: -1758.933 where: short stacking energy: -747.588 Base-Backbone interact. energy: 3.889 local terms energy: -730.961231 where: bonds (distance) C4'-P energy: -136.378 bonds (distance) P-C4' energy: -117.013 flat angles C4'-P-C4' energy: -152.767 flat angles P-C4'-P energy: -90.596 tors. eta vs tors. theta energy: -234.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2362.488862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.488862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.488862 (E_RNA) where: Base-Base interactions energy: -1665.336 where: short stacking energy: -671.883 Base-Backbone interact. energy: -1.024 local terms energy: -696.128538 where: bonds (distance) C4'-P energy: -128.081 bonds (distance) P-C4' energy: -130.845 flat angles C4'-P-C4' energy: -145.189 flat angles P-C4'-P energy: -91.348 tors. eta vs tors. theta energy: -200.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2366.947971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.947971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.947971 (E_RNA) where: Base-Base interactions energy: -1676.386 where: short stacking energy: -688.027 Base-Backbone interact. energy: -2.289 local terms energy: -688.272765 where: bonds (distance) C4'-P energy: -123.550 bonds (distance) P-C4' energy: -123.014 flat angles C4'-P-C4' energy: -133.264 flat angles P-C4'-P energy: -85.712 tors. eta vs tors. theta energy: -222.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2160.265290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.265290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.265290 (E_RNA) where: Base-Base interactions energy: -1488.130 where: short stacking energy: -636.143 Base-Backbone interact. energy: 1.565 local terms energy: -673.699544 where: bonds (distance) C4'-P energy: -125.392 bonds (distance) P-C4' energy: -120.531 flat angles C4'-P-C4' energy: -148.392 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -184.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1965.774397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.774397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.774397 (E_RNA) where: Base-Base interactions energy: -1375.578 where: short stacking energy: -560.075 Base-Backbone interact. energy: -1.483 local terms energy: -588.712827 where: bonds (distance) C4'-P energy: -102.915 bonds (distance) P-C4' energy: -114.309 flat angles C4'-P-C4' energy: -128.348 flat angles P-C4'-P energy: -86.554 tors. eta vs tors. theta energy: -156.587 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: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1726.424020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.424020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.424020 (E_RNA) where: Base-Base interactions energy: -1173.429 where: short stacking energy: -486.667 Base-Backbone interact. energy: -1.494 local terms energy: -551.500587 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -130.379 flat angles C4'-P-C4' energy: -124.015 flat angles P-C4'-P energy: -66.070 tors. eta vs tors. theta energy: -138.062 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: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1187.638418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.638418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.638418 (E_RNA) where: Base-Base interactions energy: -714.216 where: short stacking energy: -351.622 Base-Backbone interact. energy: 0.914 local terms energy: -474.336010 where: bonds (distance) C4'-P energy: -115.812 bonds (distance) P-C4' energy: -114.208 flat angles C4'-P-C4' energy: -119.346 flat angles P-C4'-P energy: -71.020 tors. eta vs tors. theta energy: -53.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -981.978765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.978765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.978765 (E_RNA) where: Base-Base interactions energy: -583.051 where: short stacking energy: -267.775 Base-Backbone interact. energy: 0.027 local terms energy: -398.955344 where: bonds (distance) C4'-P energy: -95.993 bonds (distance) P-C4' energy: -100.716 flat angles C4'-P-C4' energy: -110.630 flat angles P-C4'-P energy: -61.691 tors. eta vs tors. theta energy: -29.926 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: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2626.790679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.790679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.790679 (E_RNA) where: Base-Base interactions energy: -1876.957 where: short stacking energy: -769.953 Base-Backbone interact. energy: -2.193 local terms energy: -747.640977 where: bonds (distance) C4'-P energy: -121.774 bonds (distance) P-C4' energy: -129.068 flat angles C4'-P-C4' energy: -162.773 flat angles P-C4'-P energy: -109.069 tors. eta vs tors. theta energy: -224.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2536.675758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.675758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.675758 (E_RNA) where: Base-Base interactions energy: -1818.571 where: short stacking energy: -748.884 Base-Backbone interact. energy: 4.197 local terms energy: -722.301703 where: bonds (distance) C4'-P energy: -126.172 bonds (distance) P-C4' energy: -132.632 flat angles C4'-P-C4' energy: -146.284 flat angles P-C4'-P energy: -100.013 tors. eta vs tors. theta energy: -217.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2509.586344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.586344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.586344 (E_RNA) where: Base-Base interactions energy: -1776.979 where: short stacking energy: -767.091 Base-Backbone interact. energy: -2.459 local terms energy: -730.148157 where: bonds (distance) C4'-P energy: -111.535 bonds (distance) P-C4' energy: -126.621 flat angles C4'-P-C4' energy: -159.901 flat angles P-C4'-P energy: -100.073 tors. eta vs tors. theta energy: -232.018 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: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2297.174580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.174580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.174580 (E_RNA) where: Base-Base interactions energy: -1613.948 where: short stacking energy: -643.675 Base-Backbone interact. energy: 0.775 local terms energy: -684.001168 where: bonds (distance) C4'-P energy: -126.200 bonds (distance) P-C4' energy: -120.053 flat angles C4'-P-C4' energy: -142.476 flat angles P-C4'-P energy: -101.321 tors. eta vs tors. theta energy: -193.951 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: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2330.805109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.805109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.805109 (E_RNA) where: Base-Base interactions energy: -1623.098 where: short stacking energy: -668.844 Base-Backbone interact. energy: -2.916 local terms energy: -704.791641 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -114.611 flat angles C4'-P-C4' energy: -145.756 flat angles P-C4'-P energy: -99.492 tors. eta vs tors. theta energy: -213.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2154.061140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.061140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.061140 (E_RNA) where: Base-Base interactions energy: -1525.552 where: short stacking energy: -622.541 Base-Backbone interact. energy: 1.436 local terms energy: -629.945755 where: bonds (distance) C4'-P energy: -103.111 bonds (distance) P-C4' energy: -117.147 flat angles C4'-P-C4' energy: -139.778 flat angles P-C4'-P energy: -94.066 tors. eta vs tors. theta energy: -175.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1952.540130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.540130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.540130 (E_RNA) where: Base-Base interactions energy: -1364.990 where: short stacking energy: -553.298 Base-Backbone interact. energy: -1.423 local terms energy: -586.126725 where: bonds (distance) C4'-P energy: -110.630 bonds (distance) P-C4' energy: -121.232 flat angles C4'-P-C4' energy: -128.674 flat angles P-C4'-P energy: -74.501 tors. eta vs tors. theta energy: -151.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1775.843153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.843153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.843153 (E_RNA) where: Base-Base interactions energy: -1215.836 where: short stacking energy: -507.805 Base-Backbone interact. energy: -1.582 local terms energy: -558.425353 where: bonds (distance) C4'-P energy: -110.976 bonds (distance) P-C4' energy: -102.372 flat angles C4'-P-C4' energy: -117.950 flat angles P-C4'-P energy: -78.868 tors. eta vs tors. theta energy: -148.260 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: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1125.543745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.543745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.543745 (E_RNA) where: Base-Base interactions energy: -710.996 where: short stacking energy: -335.681 Base-Backbone interact. energy: 14.802 local terms energy: -429.349248 where: bonds (distance) C4'-P energy: -91.249 bonds (distance) P-C4' energy: -115.954 flat angles C4'-P-C4' energy: -102.560 flat angles P-C4'-P energy: -57.537 tors. eta vs tors. theta energy: -62.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -920.865675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.865675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.865675 (E_RNA) where: Base-Base interactions energy: -540.183 where: short stacking energy: -273.349 Base-Backbone interact. energy: 1.816 local terms energy: -382.498762 where: bonds (distance) C4'-P energy: -81.414 bonds (distance) P-C4' energy: -125.435 flat angles C4'-P-C4' energy: -82.206 flat angles P-C4'-P energy: -68.637 tors. eta vs tors. theta energy: -24.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2591.915082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.915082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.915082 (E_RNA) where: Base-Base interactions energy: -1836.257 where: short stacking energy: -757.007 Base-Backbone interact. energy: -3.029 local terms energy: -752.629410 where: bonds (distance) C4'-P energy: -127.003 bonds (distance) P-C4' energy: -135.916 flat angles C4'-P-C4' energy: -160.121 flat angles P-C4'-P energy: -106.965 tors. eta vs tors. theta energy: -222.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2555.102884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.102884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.102884 (E_RNA) where: Base-Base interactions energy: -1807.814 where: short stacking energy: -758.883 Base-Backbone interact. energy: 0.600 local terms energy: -747.888166 where: bonds (distance) C4'-P energy: -124.672 bonds (distance) P-C4' energy: -136.198 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -107.455 tors. eta vs tors. theta energy: -222.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2476.543498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.543498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.543498 (E_RNA) where: Base-Base interactions energy: -1746.670 where: short stacking energy: -708.812 Base-Backbone interact. energy: -1.517 local terms energy: -728.356882 where: bonds (distance) C4'-P energy: -122.272 bonds (distance) P-C4' energy: -125.054 flat angles C4'-P-C4' energy: -156.886 flat angles P-C4'-P energy: -91.038 tors. eta vs tors. theta energy: -233.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2412.416398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.416398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.416398 (E_RNA) where: Base-Base interactions energy: -1691.346 where: short stacking energy: -702.481 Base-Backbone interact. energy: -1.002 local terms energy: -720.068000 where: bonds (distance) C4'-P energy: -104.227 bonds (distance) P-C4' energy: -134.378 flat angles C4'-P-C4' energy: -154.513 flat angles P-C4'-P energy: -104.547 tors. eta vs tors. theta energy: -222.403 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: 227 Temperature: 1.100000 Total energy: -2259.453728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.453728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.453728 (E_RNA) where: Base-Base interactions energy: -1597.084 where: short stacking energy: -639.276 Base-Backbone interact. energy: -2.984 local terms energy: -659.386209 where: bonds (distance) C4'-P energy: -119.725 bonds (distance) P-C4' energy: -124.541 flat angles C4'-P-C4' energy: -147.638 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -186.866 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: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2193.130854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.130854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.130854 (E_RNA) where: Base-Base interactions energy: -1544.196 where: short stacking energy: -641.140 Base-Backbone interact. energy: -1.485 local terms energy: -647.449875 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -112.056 flat angles C4'-P-C4' energy: -137.982 flat angles P-C4'-P energy: -88.315 tors. eta vs tors. theta energy: -187.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1981.357383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.357383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.357383 (E_RNA) where: Base-Base interactions energy: -1388.572 where: short stacking energy: -580.665 Base-Backbone interact. energy: -2.710 local terms energy: -590.074976 where: bonds (distance) C4'-P energy: -121.246 bonds (distance) P-C4' energy: -109.867 flat angles C4'-P-C4' energy: -112.771 flat angles P-C4'-P energy: -81.346 tors. eta vs tors. theta energy: -164.845 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: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1790.699937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.699937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.699937 (E_RNA) where: Base-Base interactions energy: -1242.476 where: short stacking energy: -535.507 Base-Backbone interact. energy: -0.936 local terms energy: -547.288448 where: bonds (distance) C4'-P energy: -113.327 bonds (distance) P-C4' energy: -86.846 flat angles C4'-P-C4' energy: -116.188 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -145.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1157.288056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.288056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.288056 (E_RNA) where: Base-Base interactions energy: -710.383 where: short stacking energy: -343.283 Base-Backbone interact. energy: 1.162 local terms energy: -448.067140 where: bonds (distance) C4'-P energy: -110.424 bonds (distance) P-C4' energy: -112.523 flat angles C4'-P-C4' energy: -105.062 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -49.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -939.154050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.154050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.154050 (E_RNA) where: Base-Base interactions energy: -535.417 where: short stacking energy: -256.119 Base-Backbone interact. energy: -1.954 local terms energy: -401.782587 where: bonds (distance) C4'-P energy: -109.999 bonds (distance) P-C4' energy: -107.590 flat angles C4'-P-C4' energy: -106.325 flat angles P-C4'-P energy: -56.461 tors. eta vs tors. theta energy: -21.408 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: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2582.077347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.077347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.077347 (E_RNA) where: Base-Base interactions energy: -1827.524 where: short stacking energy: -768.682 Base-Backbone interact. energy: -5.907 local terms energy: -748.645974 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -136.212 flat angles C4'-P-C4' energy: -158.733 flat angles P-C4'-P energy: -97.418 tors. eta vs tors. theta energy: -223.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2595.940715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.940715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.940715 (E_RNA) where: Base-Base interactions energy: -1831.497 where: short stacking energy: -771.941 Base-Backbone interact. energy: -4.025 local terms energy: -760.419430 where: bonds (distance) C4'-P energy: -129.992 bonds (distance) P-C4' energy: -137.492 flat angles C4'-P-C4' energy: -154.183 flat angles P-C4'-P energy: -108.981 tors. eta vs tors. theta energy: -229.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2527.108865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.108865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.108865 (E_RNA) where: Base-Base interactions energy: -1776.148 where: short stacking energy: -743.802 Base-Backbone interact. energy: 0.407 local terms energy: -751.368526 where: bonds (distance) C4'-P energy: -128.253 bonds (distance) P-C4' energy: -145.452 flat angles C4'-P-C4' energy: -149.039 flat angles P-C4'-P energy: -107.786 tors. eta vs tors. theta energy: -220.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2407.749240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.749240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.749240 (E_RNA) where: Base-Base interactions energy: -1685.478 where: short stacking energy: -700.463 Base-Backbone interact. energy: -0.935 local terms energy: -721.336887 where: bonds (distance) C4'-P energy: -124.449 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -140.174 flat angles P-C4'-P energy: -108.231 tors. eta vs tors. theta energy: -223.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2205.701412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.701412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.701412 (E_RNA) where: Base-Base interactions energy: -1527.973 where: short stacking energy: -633.049 Base-Backbone interact. energy: 1.110 local terms energy: -678.838266 where: bonds (distance) C4'-P energy: -120.676 bonds (distance) P-C4' energy: -127.225 flat angles C4'-P-C4' energy: -141.848 flat angles P-C4'-P energy: -99.221 tors. eta vs tors. theta energy: -189.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2186.749658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.749658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.749658 (E_RNA) where: Base-Base interactions energy: -1566.989 where: short stacking energy: -638.088 Base-Backbone interact. energy: -3.079 local terms energy: -616.681762 where: bonds (distance) C4'-P energy: -99.436 bonds (distance) P-C4' energy: -115.530 flat angles C4'-P-C4' energy: -135.054 flat angles P-C4'-P energy: -87.714 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: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1976.204923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.204923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.204923 (E_RNA) where: Base-Base interactions energy: -1347.301 where: short stacking energy: -585.396 Base-Backbone interact. energy: -1.763 local terms energy: -627.141342 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -120.073 flat angles C4'-P-C4' energy: -132.511 flat angles P-C4'-P energy: -88.988 tors. eta vs tors. theta energy: -168.350 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: 228 Temperature: 1.250000 Total energy: -1775.365575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.365575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.365575 (E_RNA) where: Base-Base interactions energy: -1238.475 where: short stacking energy: -504.134 Base-Backbone interact. energy: -0.144 local terms energy: -536.747414 where: bonds (distance) C4'-P energy: -96.247 bonds (distance) P-C4' energy: -105.987 flat angles C4'-P-C4' energy: -142.286 flat angles P-C4'-P energy: -56.637 tors. eta vs tors. theta energy: -135.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1162.748764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.748764 (E_RNA) where: Base-Base interactions energy: -689.700 where: short stacking energy: -307.521 Base-Backbone interact. energy: -2.430 local terms energy: -470.618921 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -132.012 flat angles C4'-P-C4' energy: -105.045 flat angles P-C4'-P energy: -66.009 tors. eta vs tors. theta energy: -39.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -988.034917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.034917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.034917 (E_RNA) where: Base-Base interactions energy: -580.065 where: short stacking energy: -285.073 Base-Backbone interact. energy: 0.603 local terms energy: -408.572610 where: bonds (distance) C4'-P energy: -101.200 bonds (distance) P-C4' energy: -121.773 flat angles C4'-P-C4' energy: -93.368 flat angles P-C4'-P energy: -56.549 tors. eta vs tors. theta energy: -35.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2603.707819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.707819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.707819 (E_RNA) where: Base-Base interactions energy: -1841.348 where: short stacking energy: -748.629 Base-Backbone interact. energy: -2.791 local terms energy: -759.568634 where: bonds (distance) C4'-P energy: -131.728 bonds (distance) P-C4' energy: -131.847 flat angles C4'-P-C4' energy: -155.602 flat angles P-C4'-P energy: -117.206 tors. eta vs tors. theta energy: -223.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2576.393433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.393433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.393433 (E_RNA) where: Base-Base interactions energy: -1847.958 where: short stacking energy: -763.229 Base-Backbone interact. energy: -2.133 local terms energy: -726.302508 where: bonds (distance) C4'-P energy: -115.686 bonds (distance) P-C4' energy: -140.241 flat angles C4'-P-C4' energy: -147.302 flat angles P-C4'-P energy: -91.553 tors. eta vs tors. theta energy: -231.519 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: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2488.472845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.472845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.472845 (E_RNA) where: Base-Base interactions energy: -1712.688 where: short stacking energy: -701.972 Base-Backbone interact. energy: -2.725 local terms energy: -773.060180 where: bonds (distance) C4'-P energy: -148.054 bonds (distance) P-C4' energy: -128.148 flat angles C4'-P-C4' energy: -161.858 flat angles P-C4'-P energy: -115.024 tors. eta vs tors. theta energy: -219.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2392.150694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.150694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.150694 (E_RNA) where: Base-Base interactions energy: -1686.330 where: short stacking energy: -709.953 Base-Backbone interact. energy: 12.551 local terms energy: -718.371355 where: bonds (distance) C4'-P energy: -123.141 bonds (distance) P-C4' energy: -130.626 flat angles C4'-P-C4' energy: -146.457 flat angles P-C4'-P energy: -108.183 tors. eta vs tors. theta energy: -209.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2260.456033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.456033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.456033 (E_RNA) where: Base-Base interactions energy: -1589.173 where: short stacking energy: -662.832 Base-Backbone interact. energy: -2.045 local terms energy: -669.237947 where: bonds (distance) C4'-P energy: -118.361 bonds (distance) P-C4' energy: -114.676 flat angles C4'-P-C4' energy: -155.059 flat angles P-C4'-P energy: -89.739 tors. eta vs tors. theta energy: -191.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2198.263048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.263048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.263048 (E_RNA) where: Base-Base interactions energy: -1556.238 where: short stacking energy: -647.790 Base-Backbone interact. energy: -2.878 local terms energy: -639.147272 where: bonds (distance) C4'-P energy: -110.966 bonds (distance) P-C4' energy: -101.607 flat angles C4'-P-C4' energy: -148.943 flat angles P-C4'-P energy: -94.646 tors. eta vs tors. theta energy: -182.985 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: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1983.554384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.554384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.554384 (E_RNA) where: Base-Base interactions energy: -1400.696 where: short stacking energy: -596.440 Base-Backbone interact. energy: 2.098 local terms energy: -584.956414 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -122.247 flat angles C4'-P-C4' energy: -121.581 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -172.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1767.402724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.402724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.402724 (E_RNA) where: Base-Base interactions energy: -1208.941 where: short stacking energy: -499.825 Base-Backbone interact. energy: -3.534 local terms energy: -554.927579 where: bonds (distance) C4'-P energy: -109.493 bonds (distance) P-C4' energy: -123.366 flat angles C4'-P-C4' energy: -127.315 flat angles P-C4'-P energy: -54.584 tors. eta vs tors. theta energy: -140.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1092.255652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.255652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.255652 (E_RNA) where: Base-Base interactions energy: -656.678 where: short stacking energy: -321.536 Base-Backbone interact. energy: -2.998 local terms energy: -432.579814 where: bonds (distance) C4'-P energy: -104.327 bonds (distance) P-C4' energy: -107.559 flat angles C4'-P-C4' energy: -96.802 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -52.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -990.674607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.674607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.674607 (E_RNA) where: Base-Base interactions energy: -597.099 where: short stacking energy: -280.580 Base-Backbone interact. energy: 4.050 local terms energy: -397.626203 where: bonds (distance) C4'-P energy: -93.447 bonds (distance) P-C4' energy: -106.708 flat angles C4'-P-C4' energy: -103.926 flat angles P-C4'-P energy: -71.520 tors. eta vs tors. theta energy: -22.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2600.757531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.757531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.757531 (E_RNA) where: Base-Base interactions energy: -1833.085 where: short stacking energy: -760.483 Base-Backbone interact. energy: -3.279 local terms energy: -764.393586 where: bonds (distance) C4'-P energy: -128.541 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -166.317 flat angles P-C4'-P energy: -100.662 tors. eta vs tors. theta energy: -226.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2585.380175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.380175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.380175 (E_RNA) where: Base-Base interactions energy: -1835.517 where: short stacking energy: -771.789 Base-Backbone interact. energy: -1.185 local terms energy: -748.678694 where: bonds (distance) C4'-P energy: -135.517 bonds (distance) P-C4' energy: -130.591 flat angles C4'-P-C4' energy: -155.886 flat angles P-C4'-P energy: -97.367 tors. eta vs tors. theta energy: -229.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2502.296129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.296129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.296129 (E_RNA) where: Base-Base interactions energy: -1737.257 where: short stacking energy: -729.968 Base-Backbone interact. energy: -1.646 local terms energy: -763.392521 where: bonds (distance) C4'-P energy: -138.790 bonds (distance) P-C4' energy: -144.115 flat angles C4'-P-C4' energy: -150.397 flat angles P-C4'-P energy: -106.459 tors. eta vs tors. theta energy: -223.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2408.057645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.057645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.057645 (E_RNA) where: Base-Base interactions energy: -1692.345 where: short stacking energy: -693.343 Base-Backbone interact. energy: -2.238 local terms energy: -713.475418 where: bonds (distance) C4'-P energy: -134.442 bonds (distance) P-C4' energy: -117.419 flat angles C4'-P-C4' energy: -147.518 flat angles P-C4'-P energy: -98.283 tors. eta vs tors. theta energy: -215.813 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: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2349.432513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.432513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.432513 (E_RNA) where: Base-Base interactions energy: -1658.519 where: short stacking energy: -700.593 Base-Backbone interact. energy: 2.378 local terms energy: -693.290764 where: bonds (distance) C4'-P energy: -121.892 bonds (distance) P-C4' energy: -115.157 flat angles C4'-P-C4' energy: -155.100 flat angles P-C4'-P energy: -101.156 tors. eta vs tors. theta energy: -199.985 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: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2192.440027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.440027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.440027 (E_RNA) where: Base-Base interactions energy: -1565.827 where: short stacking energy: -631.245 Base-Backbone interact. energy: 2.615 local terms energy: -629.227964 where: bonds (distance) C4'-P energy: -114.868 bonds (distance) P-C4' energy: -101.400 flat angles C4'-P-C4' energy: -133.173 flat angles P-C4'-P energy: -93.766 tors. eta vs tors. theta energy: -186.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2022.892108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.892108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.892108 (E_RNA) where: Base-Base interactions energy: -1448.119 where: short stacking energy: -587.409 Base-Backbone interact. energy: -0.994 local terms energy: -573.779120 where: bonds (distance) C4'-P energy: -97.187 bonds (distance) P-C4' energy: -116.036 flat angles C4'-P-C4' energy: -126.937 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -153.820 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: 230 Temperature: 1.250000 Total energy: -1830.698333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.698333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.698333 (E_RNA) where: Base-Base interactions energy: -1237.798 where: short stacking energy: -525.279 Base-Backbone interact. energy: 1.287 local terms energy: -594.187007 where: bonds (distance) C4'-P energy: -116.868 bonds (distance) P-C4' energy: -113.752 flat angles C4'-P-C4' energy: -126.820 flat angles P-C4'-P energy: -87.139 tors. eta vs tors. theta energy: -149.608 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: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1189.320077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.320077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.320077 (E_RNA) where: Base-Base interactions energy: -730.885 where: short stacking energy: -333.210 Base-Backbone interact. energy: -1.797 local terms energy: -456.638408 where: bonds (distance) C4'-P energy: -111.239 bonds (distance) P-C4' energy: -102.332 flat angles C4'-P-C4' energy: -108.937 flat angles P-C4'-P energy: -74.755 tors. eta vs tors. theta energy: -59.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -963.996019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.996019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.996019 (E_RNA) where: Base-Base interactions energy: -597.589 where: short stacking energy: -283.425 Base-Backbone interact. energy: 1.802 local terms energy: -368.209417 where: bonds (distance) C4'-P energy: -86.759 bonds (distance) P-C4' energy: -99.728 flat angles C4'-P-C4' energy: -88.200 flat angles P-C4'-P energy: -68.479 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: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2611.233432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.233432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.233432 (E_RNA) where: Base-Base interactions energy: -1847.638 where: short stacking energy: -750.016 Base-Backbone interact. energy: -5.191 local terms energy: -758.403924 where: bonds (distance) C4'-P energy: -119.413 bonds (distance) P-C4' energy: -134.945 flat angles C4'-P-C4' energy: -160.976 flat angles P-C4'-P energy: -117.136 tors. eta vs tors. theta energy: -225.933 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: 231 Temperature: 0.950000 Total energy: -2554.994796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.994796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.994796 (E_RNA) where: Base-Base interactions energy: -1778.364 where: short stacking energy: -740.427 Base-Backbone interact. energy: -1.794 local terms energy: -774.836349 where: bonds (distance) C4'-P energy: -136.558 bonds (distance) P-C4' energy: -139.532 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -111.838 tors. eta vs tors. theta energy: -223.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2477.946637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.946637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.946637 (E_RNA) where: Base-Base interactions energy: -1768.102 where: short stacking energy: -733.468 Base-Backbone interact. energy: -2.366 local terms energy: -707.479082 where: bonds (distance) C4'-P energy: -120.986 bonds (distance) P-C4' energy: -128.676 flat angles C4'-P-C4' energy: -138.781 flat angles P-C4'-P energy: -102.421 tors. eta vs tors. theta energy: -216.616 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: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2390.348279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.348279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.348279 (E_RNA) where: Base-Base interactions energy: -1675.039 where: short stacking energy: -710.710 Base-Backbone interact. energy: 3.511 local terms energy: -718.820624 where: bonds (distance) C4'-P energy: -132.994 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -150.165 flat angles P-C4'-P energy: -82.780 tors. eta vs tors. theta energy: -216.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2263.892714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.892714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.892714 (E_RNA) where: Base-Base interactions energy: -1615.102 where: short stacking energy: -667.713 Base-Backbone interact. energy: -0.720 local terms energy: -648.071265 where: bonds (distance) C4'-P energy: -109.731 bonds (distance) P-C4' energy: -119.970 flat angles C4'-P-C4' energy: -129.466 flat angles P-C4'-P energy: -102.976 tors. eta vs tors. theta energy: -185.929 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: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2117.913686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.913686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.913686 (E_RNA) where: Base-Base interactions energy: -1501.280 where: short stacking energy: -624.846 Base-Backbone interact. energy: -1.538 local terms energy: -615.095448 where: bonds (distance) C4'-P energy: -106.485 bonds (distance) P-C4' energy: -122.437 flat angles C4'-P-C4' energy: -144.311 flat angles P-C4'-P energy: -85.298 tors. eta vs tors. theta energy: -156.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1983.593152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.593152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.593152 (E_RNA) where: Base-Base interactions energy: -1377.700 where: short stacking energy: -570.719 Base-Backbone interact. energy: 1.394 local terms energy: -607.287202 where: bonds (distance) C4'-P energy: -119.196 bonds (distance) P-C4' energy: -118.970 flat angles C4'-P-C4' energy: -121.992 flat angles P-C4'-P energy: -89.999 tors. eta vs tors. theta energy: -157.130 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: 231 Temperature: 1.250000 Total energy: -1677.965961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.965961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.965961 (E_RNA) where: Base-Base interactions energy: -1123.263 where: short stacking energy: -490.119 Base-Backbone interact. energy: -1.030 local terms energy: -553.672742 where: bonds (distance) C4'-P energy: -103.480 bonds (distance) P-C4' energy: -121.176 flat angles C4'-P-C4' energy: -126.729 flat angles P-C4'-P energy: -84.158 tors. eta vs tors. theta energy: -118.130 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: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1170.159525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.159525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.159525 (E_RNA) where: Base-Base interactions energy: -749.274 where: short stacking energy: -342.620 Base-Backbone interact. energy: 0.402 local terms energy: -421.287548 where: bonds (distance) C4'-P energy: -100.961 bonds (distance) P-C4' energy: -100.221 flat angles C4'-P-C4' energy: -84.083 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -57.739 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: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -997.937103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.937103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.937103 (E_RNA) where: Base-Base interactions energy: -608.368 where: short stacking energy: -261.888 Base-Backbone interact. energy: -1.006 local terms energy: -388.562777 where: bonds (distance) C4'-P energy: -84.325 bonds (distance) P-C4' energy: -111.028 flat angles C4'-P-C4' energy: -95.746 flat angles P-C4'-P energy: -60.968 tors. eta vs tors. theta energy: -36.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2612.705418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.705418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.705418 (E_RNA) where: Base-Base interactions energy: -1853.903 where: short stacking energy: -747.057 Base-Backbone interact. energy: -2.618 local terms energy: -756.184874 where: bonds (distance) C4'-P energy: -150.893 bonds (distance) P-C4' energy: -120.023 flat angles C4'-P-C4' energy: -152.501 flat angles P-C4'-P energy: -107.142 tors. eta vs tors. theta energy: -225.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2559.016010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.016010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.016010 (E_RNA) where: Base-Base interactions energy: -1798.413 where: short stacking energy: -732.327 Base-Backbone interact. energy: 1.030 local terms energy: -761.633584 where: bonds (distance) C4'-P energy: -134.698 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -166.947 flat angles P-C4'-P energy: -98.425 tors. eta vs tors. theta energy: -216.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2492.514964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.514964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.514964 (E_RNA) where: Base-Base interactions energy: -1774.853 where: short stacking energy: -732.236 Base-Backbone interact. energy: -1.924 local terms energy: -715.738367 where: bonds (distance) C4'-P energy: -122.934 bonds (distance) P-C4' energy: -118.163 flat angles C4'-P-C4' energy: -155.737 flat angles P-C4'-P energy: -93.264 tors. eta vs tors. theta energy: -225.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2385.245564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.245564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.245564 (E_RNA) where: Base-Base interactions energy: -1689.784 where: short stacking energy: -708.977 Base-Backbone interact. energy: 2.677 local terms energy: -698.138974 where: bonds (distance) C4'-P energy: -124.342 bonds (distance) P-C4' energy: -124.131 flat angles C4'-P-C4' energy: -139.470 flat angles P-C4'-P energy: -97.797 tors. eta vs tors. theta energy: -212.399 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: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2259.250871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.250871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.250871 (E_RNA) where: Base-Base interactions energy: -1590.473 where: short stacking energy: -654.541 Base-Backbone interact. energy: -1.887 local terms energy: -666.891109 where: bonds (distance) C4'-P energy: -119.803 bonds (distance) P-C4' energy: -115.990 flat angles C4'-P-C4' energy: -145.579 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -187.413 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: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2154.900257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.900257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.900257 (E_RNA) where: Base-Base interactions energy: -1513.322 where: short stacking energy: -619.227 Base-Backbone interact. energy: -3.681 local terms energy: -637.896948 where: bonds (distance) C4'-P energy: -107.586 bonds (distance) P-C4' energy: -122.375 flat angles C4'-P-C4' energy: -137.165 flat angles P-C4'-P energy: -94.966 tors. eta vs tors. theta energy: -175.805 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: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1995.928035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.928035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.928035 (E_RNA) where: Base-Base interactions energy: -1405.293 where: short stacking energy: -578.781 Base-Backbone interact. energy: 2.092 local terms energy: -592.726627 where: bonds (distance) C4'-P energy: -103.115 bonds (distance) P-C4' energy: -110.169 flat angles C4'-P-C4' energy: -132.015 flat angles P-C4'-P energy: -82.074 tors. eta vs tors. theta energy: -165.354 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: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1786.658816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.658816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.658816 (E_RNA) where: Base-Base interactions energy: -1182.935 where: short stacking energy: -513.326 Base-Backbone interact. energy: -4.016 local terms energy: -599.707122 where: bonds (distance) C4'-P energy: -104.402 bonds (distance) P-C4' energy: -126.571 flat angles C4'-P-C4' energy: -130.282 flat angles P-C4'-P energy: -91.815 tors. eta vs tors. theta energy: -146.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1160.228506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.228506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.228506 (E_RNA) where: Base-Base interactions energy: -739.057 where: short stacking energy: -329.791 Base-Backbone interact. energy: 2.763 local terms energy: -423.934918 where: bonds (distance) C4'-P energy: -113.771 bonds (distance) P-C4' energy: -94.709 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -74.887 tors. eta vs tors. theta energy: -55.636 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: 232 Temperature: 1.350000 Total energy: -921.319360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.319360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.319360 (E_RNA) where: Base-Base interactions energy: -492.314 where: short stacking energy: -227.495 Base-Backbone interact. energy: 5.008 local terms energy: -434.013750 where: bonds (distance) C4'-P energy: -113.190 bonds (distance) P-C4' energy: -118.100 flat angles C4'-P-C4' energy: -104.007 flat angles P-C4'-P energy: -53.556 tors. eta vs tors. theta energy: -45.161 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: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2618.518087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.518087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.518087 (E_RNA) where: Base-Base interactions energy: -1848.302 where: short stacking energy: -762.898 Base-Backbone interact. energy: -3.467 local terms energy: -766.748873 where: bonds (distance) C4'-P energy: -138.964 bonds (distance) P-C4' energy: -131.416 flat angles C4'-P-C4' energy: -161.152 flat angles P-C4'-P energy: -111.252 tors. eta vs tors. theta energy: -223.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2575.054663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.054663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.054663 (E_RNA) where: Base-Base interactions energy: -1796.470 where: short stacking energy: -750.372 Base-Backbone interact. energy: 0.291 local terms energy: -778.875253 where: bonds (distance) C4'-P energy: -140.665 bonds (distance) P-C4' energy: -137.192 flat angles C4'-P-C4' energy: -159.993 flat angles P-C4'-P energy: -107.727 tors. eta vs tors. theta energy: -233.298 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: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2461.118690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.118690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.118690 (E_RNA) where: Base-Base interactions energy: -1740.636 where: short stacking energy: -716.388 Base-Backbone interact. energy: -0.705 local terms energy: -719.778222 where: bonds (distance) C4'-P energy: -135.275 bonds (distance) P-C4' energy: -143.110 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -96.142 tors. eta vs tors. theta energy: -206.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2394.980266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.980266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.980266 (E_RNA) where: Base-Base interactions energy: -1683.792 where: short stacking energy: -693.639 Base-Backbone interact. energy: -1.633 local terms energy: -709.555466 where: bonds (distance) C4'-P energy: -117.531 bonds (distance) P-C4' energy: -127.535 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -101.477 tors. eta vs tors. theta energy: -214.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2237.894750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.894750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.894750 (E_RNA) where: Base-Base interactions energy: -1594.715 where: short stacking energy: -653.500 Base-Backbone interact. energy: 3.007 local terms energy: -646.185842 where: bonds (distance) C4'-P energy: -106.902 bonds (distance) P-C4' energy: -119.362 flat angles C4'-P-C4' energy: -136.899 flat angles P-C4'-P energy: -85.460 tors. eta vs tors. theta energy: -197.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2165.425306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.425306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.425306 (E_RNA) where: Base-Base interactions energy: -1554.543 where: short stacking energy: -626.256 Base-Backbone interact. energy: -1.027 local terms energy: -609.855947 where: bonds (distance) C4'-P energy: -108.864 bonds (distance) P-C4' energy: -109.177 flat angles C4'-P-C4' energy: -127.952 flat angles P-C4'-P energy: -91.796 tors. eta vs tors. theta energy: -172.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1980.318242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.318242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.318242 (E_RNA) where: Base-Base interactions energy: -1351.927 where: short stacking energy: -558.385 Base-Backbone interact. energy: -2.033 local terms energy: -626.357628 where: bonds (distance) C4'-P energy: -116.866 bonds (distance) P-C4' energy: -137.138 flat angles C4'-P-C4' energy: -143.482 flat angles P-C4'-P energy: -84.164 tors. eta vs tors. theta energy: -144.708 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: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1757.961795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.961795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.961795 (E_RNA) where: Base-Base interactions energy: -1198.533 where: short stacking energy: -510.190 Base-Backbone interact. energy: 0.860 local terms energy: -560.288859 where: bonds (distance) C4'-P energy: -104.696 bonds (distance) P-C4' energy: -122.351 flat angles C4'-P-C4' energy: -137.559 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -132.806 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: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1171.871144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.871144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.871144 (E_RNA) where: Base-Base interactions energy: -706.491 where: short stacking energy: -306.536 Base-Backbone interact. energy: 3.399 local terms energy: -468.780042 where: bonds (distance) C4'-P energy: -117.647 bonds (distance) P-C4' energy: -99.822 flat angles C4'-P-C4' energy: -122.163 flat angles P-C4'-P energy: -66.755 tors. eta vs tors. theta energy: -62.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -950.924341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.924341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.924341 (E_RNA) where: Base-Base interactions energy: -550.356 where: short stacking energy: -292.530 Base-Backbone interact. energy: -5.979 local terms energy: -394.589972 where: bonds (distance) C4'-P energy: -112.855 bonds (distance) P-C4' energy: -111.551 flat angles C4'-P-C4' energy: -80.651 flat angles P-C4'-P energy: -58.573 tors. eta vs tors. theta energy: -30.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2609.102644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.102644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.102644 (E_RNA) where: Base-Base interactions energy: -1858.327 where: short stacking energy: -771.817 Base-Backbone interact. energy: 0.312 local terms energy: -751.088297 where: bonds (distance) C4'-P energy: -124.285 bonds (distance) P-C4' energy: -125.238 flat angles C4'-P-C4' energy: -156.832 flat angles P-C4'-P energy: -111.985 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: 2, replica: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2555.406567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.406567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.406567 (E_RNA) where: Base-Base interactions energy: -1805.771 where: short stacking energy: -723.888 Base-Backbone interact. energy: -3.415 local terms energy: -746.220570 where: bonds (distance) C4'-P energy: -134.971 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -153.891 flat angles P-C4'-P energy: -98.075 tors. eta vs tors. theta energy: -227.285 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: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2498.004082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.004082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.004082 (E_RNA) where: Base-Base interactions energy: -1742.630 where: short stacking energy: -721.277 Base-Backbone interact. energy: -2.967 local terms energy: -752.407102 where: bonds (distance) C4'-P energy: -115.640 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -159.786 flat angles P-C4'-P energy: -115.959 tors. eta vs tors. theta energy: -225.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2414.236130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.236130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.236130 (E_RNA) where: Base-Base interactions energy: -1711.360 where: short stacking energy: -691.800 Base-Backbone interact. energy: -3.662 local terms energy: -699.214286 where: bonds (distance) C4'-P energy: -119.679 bonds (distance) P-C4' energy: -131.896 flat angles C4'-P-C4' energy: -141.210 flat angles P-C4'-P energy: -101.043 tors. eta vs tors. theta energy: -205.386 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: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2283.564821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.564821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.564821 (E_RNA) where: Base-Base interactions energy: -1647.544 where: short stacking energy: -665.054 Base-Backbone interact. energy: 0.037 local terms energy: -636.057471 where: bonds (distance) C4'-P energy: -113.879 bonds (distance) P-C4' energy: -92.858 flat angles C4'-P-C4' energy: -151.015 flat angles P-C4'-P energy: -86.145 tors. eta vs tors. theta energy: -192.160 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: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2174.587720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.587720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.587720 (E_RNA) where: Base-Base interactions energy: -1552.806 where: short stacking energy: -619.940 Base-Backbone interact. energy: 2.009 local terms energy: -623.790874 where: bonds (distance) C4'-P energy: -110.769 bonds (distance) P-C4' energy: -127.332 flat angles C4'-P-C4' energy: -120.429 flat angles P-C4'-P energy: -81.328 tors. eta vs tors. theta energy: -183.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2025.746676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.746676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.746676 (E_RNA) where: Base-Base interactions energy: -1408.689 where: short stacking energy: -588.563 Base-Backbone interact. energy: -1.760 local terms energy: -615.297637 where: bonds (distance) C4'-P energy: -130.310 bonds (distance) P-C4' energy: -114.431 flat angles C4'-P-C4' energy: -122.202 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -167.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1765.964297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.964297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.964297 (E_RNA) where: Base-Base interactions energy: -1202.116 where: short stacking energy: -511.339 Base-Backbone interact. energy: -0.135 local terms energy: -563.712890 where: bonds (distance) C4'-P energy: -118.137 bonds (distance) P-C4' energy: -120.764 flat angles C4'-P-C4' energy: -119.788 flat angles P-C4'-P energy: -73.833 tors. eta vs tors. theta energy: -131.192 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: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1138.112443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.112443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.112443 (E_RNA) where: Base-Base interactions energy: -752.491 where: short stacking energy: -340.508 Base-Backbone interact. energy: -1.598 local terms energy: -384.023526 where: bonds (distance) C4'-P energy: -85.443 bonds (distance) P-C4' energy: -124.353 flat angles C4'-P-C4' energy: -94.559 flat angles P-C4'-P energy: -27.738 tors. eta vs tors. theta energy: -51.931 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: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -947.271852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.271852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.271852 (E_RNA) where: Base-Base interactions energy: -554.835 where: short stacking energy: -271.856 Base-Backbone interact. energy: -2.160 local terms energy: -390.277044 where: bonds (distance) C4'-P energy: -106.666 bonds (distance) P-C4' energy: -116.214 flat angles C4'-P-C4' energy: -97.150 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -17.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2634.514122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.514122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.514122 (E_RNA) where: Base-Base interactions energy: -1859.819 where: short stacking energy: -746.895 Base-Backbone interact. energy: -1.097 local terms energy: -773.598063 where: bonds (distance) C4'-P energy: -135.549 bonds (distance) P-C4' energy: -133.288 flat angles C4'-P-C4' energy: -162.626 flat angles P-C4'-P energy: -112.617 tors. eta vs tors. theta energy: -229.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2537.663179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.663179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.663179 (E_RNA) where: Base-Base interactions energy: -1824.360 where: short stacking energy: -754.123 Base-Backbone interact. energy: 5.192 local terms energy: -718.495716 where: bonds (distance) C4'-P energy: -129.253 bonds (distance) P-C4' energy: -126.316 flat angles C4'-P-C4' energy: -153.237 flat angles P-C4'-P energy: -90.474 tors. eta vs tors. theta energy: -219.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2509.307322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.307322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.307322 (E_RNA) where: Base-Base interactions energy: -1753.610 where: short stacking energy: -730.901 Base-Backbone interact. energy: -0.659 local terms energy: -755.038144 where: bonds (distance) C4'-P energy: -133.275 bonds (distance) P-C4' energy: -138.758 flat angles C4'-P-C4' energy: -154.010 flat angles P-C4'-P energy: -102.563 tors. eta vs tors. theta energy: -226.432 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: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2388.852943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.852943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.852943 (E_RNA) where: Base-Base interactions energy: -1690.658 where: short stacking energy: -677.721 Base-Backbone interact. energy: -0.188 local terms energy: -698.006518 where: bonds (distance) C4'-P energy: -119.743 bonds (distance) P-C4' energy: -127.478 flat angles C4'-P-C4' energy: -137.370 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -209.813 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: 5, replica: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2354.359255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.359255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.359255 (E_RNA) where: Base-Base interactions energy: -1673.714 where: short stacking energy: -642.166 Base-Backbone interact. energy: -0.740 local terms energy: -679.904872 where: bonds (distance) C4'-P energy: -129.325 bonds (distance) P-C4' energy: -124.197 flat angles C4'-P-C4' energy: -132.579 flat angles P-C4'-P energy: -92.509 tors. eta vs tors. theta energy: -201.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2162.113608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.113608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.113608 (E_RNA) where: Base-Base interactions energy: -1512.243 where: short stacking energy: -598.783 Base-Backbone interact. energy: -0.810 local terms energy: -649.060859 where: bonds (distance) C4'-P energy: -104.472 bonds (distance) P-C4' energy: -143.972 flat angles C4'-P-C4' energy: -129.774 flat angles P-C4'-P energy: -90.346 tors. eta vs tors. theta energy: -180.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2027.889043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.889043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.889043 (E_RNA) where: Base-Base interactions energy: -1420.264 where: short stacking energy: -572.657 Base-Backbone interact. energy: -0.450 local terms energy: -607.175306 where: bonds (distance) C4'-P energy: -102.796 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -137.648 flat angles P-C4'-P energy: -88.723 tors. eta vs tors. theta energy: -155.257 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: 235 Temperature: 1.250000 Total energy: -1801.448293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.448293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.448293 (E_RNA) where: Base-Base interactions energy: -1230.053 where: short stacking energy: -528.220 Base-Backbone interact. energy: 3.795 local terms energy: -575.189748 where: bonds (distance) C4'-P energy: -105.171 bonds (distance) P-C4' energy: -112.273 flat angles C4'-P-C4' energy: -137.513 flat angles P-C4'-P energy: -74.002 tors. eta vs tors. theta energy: -146.231 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: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1101.739647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.739647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.739647 (E_RNA) where: Base-Base interactions energy: -659.438 where: short stacking energy: -315.012 Base-Backbone interact. energy: -0.751 local terms energy: -441.550152 where: bonds (distance) C4'-P energy: -94.981 bonds (distance) P-C4' energy: -124.451 flat angles C4'-P-C4' energy: -111.827 flat angles P-C4'-P energy: -63.534 tors. eta vs tors. theta energy: -46.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -951.222566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.222566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.222566 (E_RNA) where: Base-Base interactions energy: -575.046 where: short stacking energy: -281.925 Base-Backbone interact. energy: 2.251 local terms energy: -378.427368 where: bonds (distance) C4'-P energy: -98.761 bonds (distance) P-C4' energy: -99.862 flat angles C4'-P-C4' energy: -87.242 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: -26.516 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: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2607.080163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.080163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.080163 (E_RNA) where: Base-Base interactions energy: -1827.450 where: short stacking energy: -752.526 Base-Backbone interact. energy: -1.525 local terms energy: -778.105359 where: bonds (distance) C4'-P energy: -143.077 bonds (distance) P-C4' energy: -138.348 flat angles C4'-P-C4' energy: -157.641 flat angles P-C4'-P energy: -108.279 tors. eta vs tors. theta energy: -230.762 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: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2541.209508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.209508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.209508 (E_RNA) where: Base-Base interactions energy: -1801.398 where: short stacking energy: -718.226 Base-Backbone interact. energy: 0.149 local terms energy: -739.960696 where: bonds (distance) C4'-P energy: -126.514 bonds (distance) P-C4' energy: -127.890 flat angles C4'-P-C4' energy: -156.331 flat angles P-C4'-P energy: -116.387 tors. eta vs tors. theta energy: -212.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2474.928037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.928037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.928037 (E_RNA) where: Base-Base interactions energy: -1723.641 where: short stacking energy: -717.232 Base-Backbone interact. energy: -1.269 local terms energy: -750.018621 where: bonds (distance) C4'-P energy: -127.950 bonds (distance) P-C4' energy: -125.267 flat angles C4'-P-C4' energy: -165.590 flat angles P-C4'-P energy: -102.028 tors. eta vs tors. theta energy: -229.184 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: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2381.703699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.703699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.703699 (E_RNA) where: Base-Base interactions energy: -1680.351 where: short stacking energy: -689.690 Base-Backbone interact. energy: -2.383 local terms energy: -698.969451 where: bonds (distance) C4'-P energy: -120.234 bonds (distance) P-C4' energy: -127.041 flat angles C4'-P-C4' energy: -150.087 flat angles P-C4'-P energy: -92.542 tors. eta vs tors. theta energy: -209.065 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: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2324.733964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.733964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.733964 (E_RNA) where: Base-Base interactions energy: -1671.274 where: short stacking energy: -669.570 Base-Backbone interact. energy: -0.677 local terms energy: -652.782591 where: bonds (distance) C4'-P energy: -115.017 bonds (distance) P-C4' energy: -110.055 flat angles C4'-P-C4' energy: -138.587 flat angles P-C4'-P energy: -91.135 tors. eta vs tors. theta energy: -197.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2179.215060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.215060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.215060 (E_RNA) where: Base-Base interactions energy: -1547.001 where: short stacking energy: -607.503 Base-Backbone interact. energy: -1.500 local terms energy: -630.713854 where: bonds (distance) C4'-P energy: -117.056 bonds (distance) P-C4' energy: -119.927 flat angles C4'-P-C4' energy: -138.217 flat angles P-C4'-P energy: -82.265 tors. eta vs tors. theta energy: -173.248 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: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2038.610464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.610464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.610464 (E_RNA) where: Base-Base interactions energy: -1446.901 where: short stacking energy: -602.822 Base-Backbone interact. energy: 1.155 local terms energy: -592.864982 where: bonds (distance) C4'-P energy: -114.789 bonds (distance) P-C4' energy: -107.888 flat angles C4'-P-C4' energy: -117.259 flat angles P-C4'-P energy: -81.554 tors. eta vs tors. theta energy: -171.375 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: 236 Temperature: 1.250000 Total energy: -1799.158462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.158462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.158462 (E_RNA) where: Base-Base interactions energy: -1230.839 where: short stacking energy: -519.310 Base-Backbone interact. energy: 3.107 local terms energy: -571.426716 where: bonds (distance) C4'-P energy: -115.062 bonds (distance) P-C4' energy: -98.612 flat angles C4'-P-C4' energy: -130.782 flat angles P-C4'-P energy: -83.975 tors. eta vs tors. theta energy: -142.996 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: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1195.951126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.951126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.951126 (E_RNA) where: Base-Base interactions energy: -718.158 where: short stacking energy: -337.072 Base-Backbone interact. energy: 0.444 local terms energy: -478.237315 where: bonds (distance) C4'-P energy: -116.340 bonds (distance) P-C4' energy: -111.066 flat angles C4'-P-C4' energy: -118.612 flat angles P-C4'-P energy: -86.976 tors. eta vs tors. theta energy: -45.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -916.528860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.528860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.528860 (E_RNA) where: Base-Base interactions energy: -551.302 where: short stacking energy: -276.682 Base-Backbone interact. energy: 6.676 local terms energy: -371.903749 where: bonds (distance) C4'-P energy: -86.586 bonds (distance) P-C4' energy: -106.523 flat angles C4'-P-C4' energy: -89.555 flat angles P-C4'-P energy: -73.597 tors. eta vs tors. theta energy: -15.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2611.040322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.040322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.040322 (E_RNA) where: Base-Base interactions energy: -1848.516 where: short stacking energy: -752.969 Base-Backbone interact. energy: -2.275 local terms energy: -760.249739 where: bonds (distance) C4'-P energy: -130.904 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -154.893 flat angles P-C4'-P energy: -109.803 tors. eta vs tors. theta energy: -225.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2577.806079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.806079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.806079 (E_RNA) where: Base-Base interactions energy: -1832.450 where: short stacking energy: -762.075 Base-Backbone interact. energy: -3.410 local terms energy: -741.946496 where: bonds (distance) C4'-P energy: -128.661 bonds (distance) P-C4' energy: -122.446 flat angles C4'-P-C4' energy: -156.771 flat angles P-C4'-P energy: -112.752 tors. eta vs tors. theta energy: -221.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2494.433350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.433350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.433350 (E_RNA) where: Base-Base interactions energy: -1757.184 where: short stacking energy: -746.754 Base-Backbone interact. energy: -2.374 local terms energy: -734.874662 where: bonds (distance) C4'-P energy: -125.375 bonds (distance) P-C4' energy: -128.090 flat angles C4'-P-C4' energy: -143.450 flat angles P-C4'-P energy: -113.054 tors. eta vs tors. theta energy: -224.906 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: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2410.042760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.042760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.042760 (E_RNA) where: Base-Base interactions energy: -1710.751 where: short stacking energy: -691.585 Base-Backbone interact. energy: -0.988 local terms energy: -698.304001 where: bonds (distance) C4'-P energy: -114.653 bonds (distance) P-C4' energy: -120.143 flat angles C4'-P-C4' energy: -150.299 flat angles P-C4'-P energy: -102.792 tors. eta vs tors. theta energy: -210.418 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: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2335.526469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.526469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.526469 (E_RNA) where: Base-Base interactions energy: -1671.086 where: short stacking energy: -686.593 Base-Backbone interact. energy: -1.805 local terms energy: -662.635754 where: bonds (distance) C4'-P energy: -106.693 bonds (distance) P-C4' energy: -120.543 flat angles C4'-P-C4' energy: -134.572 flat angles P-C4'-P energy: -99.620 tors. eta vs tors. theta energy: -201.207 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: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2226.799903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.799903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.799903 (E_RNA) where: Base-Base interactions energy: -1558.644 where: short stacking energy: -630.332 Base-Backbone interact. energy: -1.768 local terms energy: -666.387493 where: bonds (distance) C4'-P energy: -123.298 bonds (distance) P-C4' energy: -124.618 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -84.969 tors. eta vs tors. theta energy: -184.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1988.819504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.819504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.819504 (E_RNA) where: Base-Base interactions energy: -1378.122 where: short stacking energy: -570.417 Base-Backbone interact. energy: 0.381 local terms energy: -611.079443 where: bonds (distance) C4'-P energy: -124.530 bonds (distance) P-C4' energy: -119.220 flat angles C4'-P-C4' energy: -135.583 flat angles P-C4'-P energy: -86.757 tors. eta vs tors. theta energy: -144.989 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: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1844.590144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.590144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.590144 (E_RNA) where: Base-Base interactions energy: -1273.815 where: short stacking energy: -561.027 Base-Backbone interact. energy: 2.709 local terms energy: -573.483853 where: bonds (distance) C4'-P energy: -90.203 bonds (distance) P-C4' energy: -124.030 flat angles C4'-P-C4' energy: -123.049 flat angles P-C4'-P energy: -81.058 tors. eta vs tors. theta energy: -155.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1190.489822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.489822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.489822 (E_RNA) where: Base-Base interactions energy: -728.812 where: short stacking energy: -350.609 Base-Backbone interact. energy: 1.698 local terms energy: -463.375178 where: bonds (distance) C4'-P energy: -109.060 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -118.687 flat angles P-C4'-P energy: -58.657 tors. eta vs tors. theta energy: -54.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -925.552911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.552911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.552911 (E_RNA) where: Base-Base interactions energy: -538.253 where: short stacking energy: -269.587 Base-Backbone interact. energy: 3.767 local terms energy: -391.066389 where: bonds (distance) C4'-P energy: -112.626 bonds (distance) P-C4' energy: -108.003 flat angles C4'-P-C4' energy: -85.854 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -27.539 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: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2603.998888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.998888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.998888 (E_RNA) where: Base-Base interactions energy: -1841.792 where: short stacking energy: -739.590 Base-Backbone interact. energy: -2.780 local terms energy: -759.426399 where: bonds (distance) C4'-P energy: -133.492 bonds (distance) P-C4' energy: -125.774 flat angles C4'-P-C4' energy: -165.578 flat angles P-C4'-P energy: -109.969 tors. eta vs tors. theta energy: -224.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2556.519772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.519772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.519772 (E_RNA) where: Base-Base interactions energy: -1813.654 where: short stacking energy: -751.493 Base-Backbone interact. energy: 0.203 local terms energy: -743.068171 where: bonds (distance) C4'-P energy: -125.998 bonds (distance) P-C4' energy: -119.334 flat angles C4'-P-C4' energy: -157.874 flat angles P-C4'-P energy: -113.464 tors. eta vs tors. theta energy: -226.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2507.177713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.177713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.177713 (E_RNA) where: Base-Base interactions energy: -1759.076 where: short stacking energy: -740.453 Base-Backbone interact. energy: -1.434 local terms energy: -746.667795 where: bonds (distance) C4'-P energy: -125.551 bonds (distance) P-C4' energy: -121.204 flat angles C4'-P-C4' energy: -156.694 flat angles P-C4'-P energy: -115.356 tors. eta vs tors. theta energy: -227.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2409.499187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.499187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.499187 (E_RNA) where: Base-Base interactions energy: -1678.764 where: short stacking energy: -681.749 Base-Backbone interact. energy: -2.356 local terms energy: -728.379772 where: bonds (distance) C4'-P energy: -130.726 bonds (distance) P-C4' energy: -140.622 flat angles C4'-P-C4' energy: -142.704 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -214.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2309.155657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.155657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.155657 (E_RNA) where: Base-Base interactions energy: -1653.302 where: short stacking energy: -689.195 Base-Backbone interact. energy: -3.726 local terms energy: -652.127812 where: bonds (distance) C4'-P energy: -117.843 bonds (distance) P-C4' energy: -111.525 flat angles C4'-P-C4' energy: -136.499 flat angles P-C4'-P energy: -91.928 tors. eta vs tors. theta energy: -194.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2132.286208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.286208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.286208 (E_RNA) where: Base-Base interactions energy: -1512.181 where: short stacking energy: -585.356 Base-Backbone interact. energy: -2.084 local terms energy: -618.021936 where: bonds (distance) C4'-P energy: -112.563 bonds (distance) P-C4' energy: -112.863 flat angles C4'-P-C4' energy: -133.736 flat angles P-C4'-P energy: -83.616 tors. eta vs tors. theta energy: -175.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2031.958852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.958852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.958852 (E_RNA) where: Base-Base interactions energy: -1418.155 where: short stacking energy: -593.021 Base-Backbone interact. energy: 1.963 local terms energy: -615.766762 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -139.475 flat angles P-C4'-P energy: -94.043 tors. eta vs tors. theta energy: -156.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1816.121057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.121057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.121057 (E_RNA) where: Base-Base interactions energy: -1260.471 where: short stacking energy: -537.698 Base-Backbone interact. energy: 0.898 local terms energy: -556.547974 where: bonds (distance) C4'-P energy: -110.154 bonds (distance) P-C4' energy: -103.806 flat angles C4'-P-C4' energy: -131.650 flat angles P-C4'-P energy: -71.309 tors. eta vs tors. theta energy: -139.628 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: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1111.989431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.989431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.989431 (E_RNA) where: Base-Base interactions energy: -680.735 where: short stacking energy: -301.920 Base-Backbone interact. energy: 2.098 local terms energy: -433.352725 where: bonds (distance) C4'-P energy: -106.760 bonds (distance) P-C4' energy: -93.416 flat angles C4'-P-C4' energy: -119.243 flat angles P-C4'-P energy: -78.310 tors. eta vs tors. theta energy: -35.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -951.523716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.523716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.523716 (E_RNA) where: Base-Base interactions energy: -572.026 where: short stacking energy: -293.091 Base-Backbone interact. energy: 0.306 local terms energy: -379.803303 where: bonds (distance) C4'-P energy: -89.308 bonds (distance) P-C4' energy: -100.617 flat angles C4'-P-C4' energy: -103.524 flat angles P-C4'-P energy: -47.130 tors. eta vs tors. theta energy: -39.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2645.168226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.168226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.168226 (E_RNA) where: Base-Base interactions energy: -1867.149 where: short stacking energy: -785.459 Base-Backbone interact. energy: -1.539 local terms energy: -776.480760 where: bonds (distance) C4'-P energy: -133.022 bonds (distance) P-C4' energy: -140.615 flat angles C4'-P-C4' energy: -163.079 flat angles P-C4'-P energy: -110.475 tors. eta vs tors. theta energy: -229.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2559.848996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.848996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.848996 (E_RNA) where: Base-Base interactions energy: -1802.790 where: short stacking energy: -776.289 Base-Backbone interact. energy: -0.885 local terms energy: -756.173829 where: bonds (distance) C4'-P energy: -134.873 bonds (distance) P-C4' energy: -117.197 flat angles C4'-P-C4' energy: -167.801 flat angles P-C4'-P energy: -107.399 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: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2464.365036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.365036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.365036 (E_RNA) where: Base-Base interactions energy: -1758.176 where: short stacking energy: -724.009 Base-Backbone interact. energy: 8.013 local terms energy: -714.201989 where: bonds (distance) C4'-P energy: -129.754 bonds (distance) P-C4' energy: -126.725 flat angles C4'-P-C4' energy: -140.953 flat angles P-C4'-P energy: -106.676 tors. eta vs tors. theta energy: -210.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2383.278231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.278231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.278231 (E_RNA) where: Base-Base interactions energy: -1675.576 where: short stacking energy: -693.689 Base-Backbone interact. energy: -1.462 local terms energy: -706.239663 where: bonds (distance) C4'-P energy: -130.753 bonds (distance) P-C4' energy: -136.711 flat angles C4'-P-C4' energy: -127.631 flat angles P-C4'-P energy: -101.582 tors. eta vs tors. theta energy: -209.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2302.739584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.739584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.739584 (E_RNA) where: Base-Base interactions energy: -1642.099 where: short stacking energy: -656.868 Base-Backbone interact. energy: -2.963 local terms energy: -657.677577 where: bonds (distance) C4'-P energy: -127.978 bonds (distance) P-C4' energy: -114.936 flat angles C4'-P-C4' energy: -130.389 flat angles P-C4'-P energy: -91.050 tors. eta vs tors. theta energy: -193.326 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: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2151.544033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.544033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.544033 (E_RNA) where: Base-Base interactions energy: -1506.802 where: short stacking energy: -633.415 Base-Backbone interact. energy: -5.482 local terms energy: -639.259989 where: bonds (distance) C4'-P energy: -118.834 bonds (distance) P-C4' energy: -110.654 flat angles C4'-P-C4' energy: -136.877 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -183.956 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: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2046.920761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.920761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.920761 (E_RNA) where: Base-Base interactions energy: -1433.960 where: short stacking energy: -569.052 Base-Backbone interact. energy: 0.261 local terms energy: -613.222042 where: bonds (distance) C4'-P energy: -97.663 bonds (distance) P-C4' energy: -115.597 flat angles C4'-P-C4' energy: -135.346 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -170.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1816.388758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.388758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.388758 (E_RNA) where: Base-Base interactions energy: -1230.836 where: short stacking energy: -528.561 Base-Backbone interact. energy: -0.456 local terms energy: -585.096776 where: bonds (distance) C4'-P energy: -107.826 bonds (distance) P-C4' energy: -116.612 flat angles C4'-P-C4' energy: -135.591 flat angles P-C4'-P energy: -76.254 tors. eta vs tors. theta energy: -148.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1176.319122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.319122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.319122 (E_RNA) where: Base-Base interactions energy: -738.835 where: short stacking energy: -358.463 Base-Backbone interact. energy: -0.650 local terms energy: -436.834114 where: bonds (distance) C4'-P energy: -121.498 bonds (distance) P-C4' energy: -105.651 flat angles C4'-P-C4' energy: -88.929 flat angles P-C4'-P energy: -60.868 tors. eta vs tors. theta energy: -59.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -954.558360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.558360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.558360 (E_RNA) where: Base-Base interactions energy: -561.194 where: short stacking energy: -282.632 Base-Backbone interact. energy: -0.809 local terms energy: -392.554716 where: bonds (distance) C4'-P energy: -90.670 bonds (distance) P-C4' energy: -111.783 flat angles C4'-P-C4' energy: -87.264 flat angles P-C4'-P energy: -63.966 tors. eta vs tors. theta energy: -38.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2629.419981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.419981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.419981 (E_RNA) where: Base-Base interactions energy: -1859.365 where: short stacking energy: -760.518 Base-Backbone interact. energy: -1.086 local terms energy: -768.969387 where: bonds (distance) C4'-P energy: -129.914 bonds (distance) P-C4' energy: -154.496 flat angles C4'-P-C4' energy: -155.619 flat angles P-C4'-P energy: -112.348 tors. eta vs tors. theta energy: -216.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2561.653262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.653262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.653262 (E_RNA) where: Base-Base interactions energy: -1800.642 where: short stacking energy: -752.432 Base-Backbone interact. energy: -1.576 local terms energy: -759.435643 where: bonds (distance) C4'-P energy: -126.333 bonds (distance) P-C4' energy: -130.047 flat angles C4'-P-C4' energy: -154.756 flat angles P-C4'-P energy: -115.666 tors. eta vs tors. theta energy: -232.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2518.825585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.825585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.825585 (E_RNA) where: Base-Base interactions energy: -1804.560 where: short stacking energy: -739.935 Base-Backbone interact. energy: -3.050 local terms energy: -711.215803 where: bonds (distance) C4'-P energy: -121.484 bonds (distance) P-C4' energy: -128.940 flat angles C4'-P-C4' energy: -148.811 flat angles P-C4'-P energy: -94.562 tors. eta vs tors. theta energy: -217.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2411.323651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.323651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.323651 (E_RNA) where: Base-Base interactions energy: -1712.087 where: short stacking energy: -702.510 Base-Backbone interact. energy: -2.121 local terms energy: -697.115606 where: bonds (distance) C4'-P energy: -119.002 bonds (distance) P-C4' energy: -118.304 flat angles C4'-P-C4' energy: -136.267 flat angles P-C4'-P energy: -109.285 tors. eta vs tors. theta energy: -214.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2305.243196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.243196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.243196 (E_RNA) where: Base-Base interactions energy: -1644.713 where: short stacking energy: -672.132 Base-Backbone interact. energy: -0.439 local terms energy: -660.090950 where: bonds (distance) C4'-P energy: -103.880 bonds (distance) P-C4' energy: -123.064 flat angles C4'-P-C4' energy: -138.856 flat angles P-C4'-P energy: -93.451 tors. eta vs tors. theta energy: -200.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2215.725399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.725399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.725399 (E_RNA) where: Base-Base interactions energy: -1557.569 where: short stacking energy: -632.636 Base-Backbone interact. energy: 1.590 local terms energy: -659.747308 where: bonds (distance) C4'-P energy: -116.220 bonds (distance) P-C4' energy: -119.294 flat angles C4'-P-C4' energy: -142.066 flat angles P-C4'-P energy: -105.515 tors. eta vs tors. theta energy: -176.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1980.189716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.189716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.189716 (E_RNA) where: Base-Base interactions energy: -1401.974 where: short stacking energy: -564.534 Base-Backbone interact. energy: 0.221 local terms energy: -578.437265 where: bonds (distance) C4'-P energy: -105.561 bonds (distance) P-C4' energy: -109.028 flat angles C4'-P-C4' energy: -126.610 flat angles P-C4'-P energy: -68.971 tors. eta vs tors. theta energy: -168.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1741.404858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.404858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.404858 (E_RNA) where: Base-Base interactions energy: -1184.963 where: short stacking energy: -518.989 Base-Backbone interact. energy: -1.705 local terms energy: -554.737743 where: bonds (distance) C4'-P energy: -110.491 bonds (distance) P-C4' energy: -98.415 flat angles C4'-P-C4' energy: -129.625 flat angles P-C4'-P energy: -74.479 tors. eta vs tors. theta energy: -141.728 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1159.357544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.357544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.357544 (E_RNA) where: Base-Base interactions energy: -742.570 where: short stacking energy: -335.846 Base-Backbone interact. energy: -1.797 local terms energy: -414.991492 where: bonds (distance) C4'-P energy: -76.629 bonds (distance) P-C4' energy: -125.681 flat angles C4'-P-C4' energy: -105.158 flat angles P-C4'-P energy: -53.665 tors. eta vs tors. theta energy: -53.858 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: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -887.157168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.157168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.157168 (E_RNA) where: Base-Base interactions energy: -499.749 where: short stacking energy: -250.581 Base-Backbone interact. energy: 2.345 local terms energy: -389.753194 where: bonds (distance) C4'-P energy: -108.044 bonds (distance) P-C4' energy: -93.377 flat angles C4'-P-C4' energy: -106.382 flat angles P-C4'-P energy: -58.447 tors. eta vs tors. theta energy: -23.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2617.853286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.853286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.853286 (E_RNA) where: Base-Base interactions energy: -1846.144 where: short stacking energy: -758.461 Base-Backbone interact. energy: -3.308 local terms energy: -768.401240 where: bonds (distance) C4'-P energy: -143.668 bonds (distance) P-C4' energy: -137.136 flat angles C4'-P-C4' energy: -159.516 flat angles P-C4'-P energy: -107.358 tors. eta vs tors. theta energy: -220.722 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: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2555.446680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.446680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.446680 (E_RNA) where: Base-Base interactions energy: -1793.359 where: short stacking energy: -757.796 Base-Backbone interact. energy: -0.763 local terms energy: -761.323965 where: bonds (distance) C4'-P energy: -142.203 bonds (distance) P-C4' energy: -130.620 flat angles C4'-P-C4' energy: -154.791 flat angles P-C4'-P energy: -108.493 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: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2495.114396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.114396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.114396 (E_RNA) where: Base-Base interactions energy: -1753.580 where: short stacking energy: -702.537 Base-Backbone interact. energy: -1.990 local terms energy: -739.544726 where: bonds (distance) C4'-P energy: -121.385 bonds (distance) P-C4' energy: -143.778 flat angles C4'-P-C4' energy: -159.057 flat angles P-C4'-P energy: -83.320 tors. eta vs tors. theta energy: -232.005 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: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2367.260030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.260030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.260030 (E_RNA) where: Base-Base interactions energy: -1684.677 where: short stacking energy: -638.541 Base-Backbone interact. energy: -0.641 local terms energy: -681.941827 where: bonds (distance) C4'-P energy: -124.600 bonds (distance) P-C4' energy: -132.148 flat angles C4'-P-C4' energy: -118.338 flat angles P-C4'-P energy: -99.813 tors. eta vs tors. theta energy: -207.044 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: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2310.875973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.875973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.875973 (E_RNA) where: Base-Base interactions energy: -1630.768 where: short stacking energy: -659.671 Base-Backbone interact. energy: -3.487 local terms energy: -676.620600 where: bonds (distance) C4'-P energy: -127.755 bonds (distance) P-C4' energy: -120.831 flat angles C4'-P-C4' energy: -134.624 flat angles P-C4'-P energy: -98.528 tors. eta vs tors. theta energy: -194.882 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: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2158.135667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.135667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.135667 (E_RNA) where: Base-Base interactions energy: -1515.478 where: short stacking energy: -614.270 Base-Backbone interact. energy: -1.043 local terms energy: -641.614780 where: bonds (distance) C4'-P energy: -110.808 bonds (distance) P-C4' energy: -120.926 flat angles C4'-P-C4' energy: -133.780 flat angles P-C4'-P energy: -92.324 tors. eta vs tors. theta energy: -183.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2039.240552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.240552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.240552 (E_RNA) where: Base-Base interactions energy: -1412.657 where: short stacking energy: -603.335 Base-Backbone interact. energy: -3.136 local terms energy: -623.447776 where: bonds (distance) C4'-P energy: -103.036 bonds (distance) P-C4' energy: -130.930 flat angles C4'-P-C4' energy: -125.975 flat angles P-C4'-P energy: -86.293 tors. eta vs tors. theta energy: -177.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1764.889943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.889943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.889943 (E_RNA) where: Base-Base interactions energy: -1211.373 where: short stacking energy: -497.506 Base-Backbone interact. energy: -4.743 local terms energy: -548.773469 where: bonds (distance) C4'-P energy: -106.120 bonds (distance) P-C4' energy: -121.928 flat angles C4'-P-C4' energy: -122.780 flat angles P-C4'-P energy: -69.996 tors. eta vs tors. theta energy: -127.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1109.935380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.935380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.935380 (E_RNA) where: Base-Base interactions energy: -701.495 where: short stacking energy: -313.545 Base-Backbone interact. energy: 1.358 local terms energy: -409.798968 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -104.430 flat angles C4'-P-C4' energy: -102.316 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -41.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -900.730431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.730431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.730431 (E_RNA) where: Base-Base interactions energy: -529.955 where: short stacking energy: -267.903 Base-Backbone interact. energy: 8.919 local terms energy: -379.693784 where: bonds (distance) C4'-P energy: -98.670 bonds (distance) P-C4' energy: -113.631 flat angles C4'-P-C4' energy: -82.647 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: -9.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2620.020567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.020567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.020567 (E_RNA) where: Base-Base interactions energy: -1861.869 where: short stacking energy: -764.704 Base-Backbone interact. energy: -2.403 local terms energy: -755.748434 where: bonds (distance) C4'-P energy: -131.531 bonds (distance) P-C4' energy: -134.155 flat angles C4'-P-C4' energy: -156.436 flat angles P-C4'-P energy: -109.260 tors. eta vs tors. theta energy: -224.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2559.173344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.173344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.173344 (E_RNA) where: Base-Base interactions energy: -1789.673 where: short stacking energy: -716.401 Base-Backbone interact. energy: -0.308 local terms energy: -769.192224 where: bonds (distance) C4'-P energy: -134.544 bonds (distance) P-C4' energy: -139.483 flat angles C4'-P-C4' energy: -156.206 flat angles P-C4'-P energy: -118.176 tors. eta vs tors. theta energy: -220.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2465.832018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.832018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.832018 (E_RNA) where: Base-Base interactions energy: -1740.033 where: short stacking energy: -716.471 Base-Backbone interact. energy: -2.272 local terms energy: -723.527383 where: bonds (distance) C4'-P energy: -131.820 bonds (distance) P-C4' energy: -124.830 flat angles C4'-P-C4' energy: -148.844 flat angles P-C4'-P energy: -96.305 tors. eta vs tors. theta energy: -221.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2358.971661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.971661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.971661 (E_RNA) where: Base-Base interactions energy: -1673.649 where: short stacking energy: -689.903 Base-Backbone interact. energy: -0.377 local terms energy: -684.945146 where: bonds (distance) C4'-P energy: -115.068 bonds (distance) P-C4' energy: -106.250 flat angles C4'-P-C4' energy: -149.926 flat angles P-C4'-P energy: -104.426 tors. eta vs tors. theta energy: -209.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2320.621192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.621192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.621192 (E_RNA) where: Base-Base interactions energy: -1644.670 where: short stacking energy: -681.811 Base-Backbone interact. energy: 3.902 local terms energy: -679.852307 where: bonds (distance) C4'-P energy: -136.026 bonds (distance) P-C4' energy: -117.463 flat angles C4'-P-C4' energy: -132.288 flat angles P-C4'-P energy: -82.434 tors. eta vs tors. theta energy: -211.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2186.608118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.608118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.608118 (E_RNA) where: Base-Base interactions energy: -1570.981 where: short stacking energy: -646.820 Base-Backbone interact. energy: -1.328 local terms energy: -614.299892 where: bonds (distance) C4'-P energy: -101.726 bonds (distance) P-C4' energy: -111.251 flat angles C4'-P-C4' energy: -137.067 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -181.905 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: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2012.013262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.013262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.013262 (E_RNA) where: Base-Base interactions energy: -1418.045 where: short stacking energy: -575.469 Base-Backbone interact. energy: 0.824 local terms energy: -594.792437 where: bonds (distance) C4'-P energy: -94.272 bonds (distance) P-C4' energy: -116.400 flat angles C4'-P-C4' energy: -144.454 flat angles P-C4'-P energy: -73.262 tors. eta vs tors. theta energy: -166.405 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: 242 Temperature: 1.250000 Total energy: -1807.575514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.575514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.575514 (E_RNA) where: Base-Base interactions energy: -1214.813 where: short stacking energy: -536.246 Base-Backbone interact. energy: -3.932 local terms energy: -588.830515 where: bonds (distance) C4'-P energy: -100.539 bonds (distance) P-C4' energy: -118.252 flat angles C4'-P-C4' energy: -129.625 flat angles P-C4'-P energy: -93.682 tors. eta vs tors. theta energy: -146.732 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: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1213.710986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.710986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.710986 (E_RNA) where: Base-Base interactions energy: -758.607 where: short stacking energy: -343.346 Base-Backbone interact. energy: -0.944 local terms energy: -454.160319 where: bonds (distance) C4'-P energy: -104.957 bonds (distance) P-C4' energy: -110.877 flat angles C4'-P-C4' energy: -112.559 flat angles P-C4'-P energy: -70.225 tors. eta vs tors. theta energy: -55.542 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: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -848.061143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.061143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.061143 (E_RNA) where: Base-Base interactions energy: -475.856 where: short stacking energy: -268.169 Base-Backbone interact. energy: 2.909 local terms energy: -375.114068 where: bonds (distance) C4'-P energy: -103.153 bonds (distance) P-C4' energy: -102.098 flat angles C4'-P-C4' energy: -86.934 flat angles P-C4'-P energy: -65.708 tors. eta vs tors. theta energy: -17.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2621.820935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.820935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.820935 (E_RNA) where: Base-Base interactions energy: -1847.141 where: short stacking energy: -781.749 Base-Backbone interact. energy: 0.856 local terms energy: -775.535921 where: bonds (distance) C4'-P energy: -134.299 bonds (distance) P-C4' energy: -132.057 flat angles C4'-P-C4' energy: -163.030 flat angles P-C4'-P energy: -113.190 tors. eta vs tors. theta energy: -232.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2589.843988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.843988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.843988 (E_RNA) where: Base-Base interactions energy: -1835.900 where: short stacking energy: -761.393 Base-Backbone interact. energy: -0.745 local terms energy: -753.199104 where: bonds (distance) C4'-P energy: -141.982 bonds (distance) P-C4' energy: -134.774 flat angles C4'-P-C4' energy: -155.570 flat angles P-C4'-P energy: -104.208 tors. eta vs tors. theta energy: -216.665 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: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2462.102932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.102932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.102932 (E_RNA) where: Base-Base interactions energy: -1739.296 where: short stacking energy: -719.323 Base-Backbone interact. energy: -0.836 local terms energy: -721.971605 where: bonds (distance) C4'-P energy: -128.440 bonds (distance) P-C4' energy: -114.100 flat angles C4'-P-C4' energy: -158.890 flat angles P-C4'-P energy: -108.406 tors. eta vs tors. theta energy: -212.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2416.144418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.144418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.144418 (E_RNA) where: Base-Base interactions energy: -1711.621 where: short stacking energy: -705.897 Base-Backbone interact. energy: -0.998 local terms energy: -703.525084 where: bonds (distance) C4'-P energy: -107.789 bonds (distance) P-C4' energy: -139.368 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -96.957 tors. eta vs tors. theta energy: -213.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2288.018639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.018639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.018639 (E_RNA) where: Base-Base interactions energy: -1615.392 where: short stacking energy: -657.108 Base-Backbone interact. energy: 1.602 local terms energy: -674.228920 where: bonds (distance) C4'-P energy: -115.149 bonds (distance) P-C4' energy: -118.721 flat angles C4'-P-C4' energy: -138.670 flat angles P-C4'-P energy: -104.241 tors. eta vs tors. theta energy: -197.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2156.449214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.449214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.449214 (E_RNA) where: Base-Base interactions energy: -1531.640 where: short stacking energy: -629.094 Base-Backbone interact. energy: -1.851 local terms energy: -622.958347 where: bonds (distance) C4'-P energy: -117.581 bonds (distance) P-C4' energy: -112.222 flat angles C4'-P-C4' energy: -126.227 flat angles P-C4'-P energy: -92.642 tors. eta vs tors. theta energy: -174.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2010.513856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.513856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.513856 (E_RNA) where: Base-Base interactions energy: -1420.575 where: short stacking energy: -589.198 Base-Backbone interact. energy: 3.258 local terms energy: -593.197150 where: bonds (distance) C4'-P energy: -107.667 bonds (distance) P-C4' energy: -118.446 flat angles C4'-P-C4' energy: -137.441 flat angles P-C4'-P energy: -78.757 tors. eta vs tors. theta energy: -150.886 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: 243 Temperature: 1.250000 Total energy: -1720.866974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.866974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.866974 (E_RNA) where: Base-Base interactions energy: -1206.448 where: short stacking energy: -499.482 Base-Backbone interact. energy: -0.353 local terms energy: -514.066787 where: bonds (distance) C4'-P energy: -90.538 bonds (distance) P-C4' energy: -92.876 flat angles C4'-P-C4' energy: -132.695 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: -125.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1124.984641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.984641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.984641 (E_RNA) where: Base-Base interactions energy: -647.570 where: short stacking energy: -318.508 Base-Backbone interact. energy: -1.225 local terms energy: -476.190271 where: bonds (distance) C4'-P energy: -107.160 bonds (distance) P-C4' energy: -111.976 flat angles C4'-P-C4' energy: -117.778 flat angles P-C4'-P energy: -73.150 tors. eta vs tors. theta energy: -66.126 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: 243 Temperature: 1.350000 Total energy: -833.266637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.266637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.266637 (E_RNA) where: Base-Base interactions energy: -465.858 where: short stacking energy: -230.512 Base-Backbone interact. energy: 0.602 local terms energy: -368.009808 where: bonds (distance) C4'-P energy: -93.029 bonds (distance) P-C4' energy: -110.577 flat angles C4'-P-C4' energy: -105.221 flat angles P-C4'-P energy: -46.556 tors. eta vs tors. theta energy: -12.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2603.795827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.795827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.795827 (E_RNA) where: Base-Base interactions energy: -1820.456 where: short stacking energy: -755.581 Base-Backbone interact. energy: -1.665 local terms energy: -781.675030 where: bonds (distance) C4'-P energy: -133.893 bonds (distance) P-C4' energy: -140.198 flat angles C4'-P-C4' energy: -154.353 flat angles P-C4'-P energy: -122.295 tors. eta vs tors. theta energy: -230.937 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: 2, replica: 6 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2554.348487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.348487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.348487 (E_RNA) where: Base-Base interactions energy: -1824.828 where: short stacking energy: -735.912 Base-Backbone interact. energy: -0.719 local terms energy: -728.802090 where: bonds (distance) C4'-P energy: -122.525 bonds (distance) P-C4' energy: -128.137 flat angles C4'-P-C4' energy: -156.041 flat angles P-C4'-P energy: -103.938 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: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2499.827588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.827588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.827588 (E_RNA) where: Base-Base interactions energy: -1765.268 where: short stacking energy: -740.085 Base-Backbone interact. energy: 2.636 local terms energy: -737.195752 where: bonds (distance) C4'-P energy: -121.176 bonds (distance) P-C4' energy: -122.551 flat angles C4'-P-C4' energy: -156.714 flat angles P-C4'-P energy: -102.855 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: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2405.812174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.812174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.812174 (E_RNA) where: Base-Base interactions energy: -1695.589 where: short stacking energy: -705.285 Base-Backbone interact. energy: -4.186 local terms energy: -706.037794 where: bonds (distance) C4'-P energy: -120.493 bonds (distance) P-C4' energy: -111.224 flat angles C4'-P-C4' energy: -148.994 flat angles P-C4'-P energy: -99.605 tors. eta vs tors. theta energy: -225.721 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: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2314.383437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.383437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.383437 (E_RNA) where: Base-Base interactions energy: -1669.521 where: short stacking energy: -687.545 Base-Backbone interact. energy: -2.233 local terms energy: -642.628859 where: bonds (distance) C4'-P energy: -114.965 bonds (distance) P-C4' energy: -101.798 flat angles C4'-P-C4' energy: -130.971 flat angles P-C4'-P energy: -95.447 tors. eta vs tors. theta energy: -199.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2125.772909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.772909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.772909 (E_RNA) where: Base-Base interactions energy: -1506.983 where: short stacking energy: -614.646 Base-Backbone interact. energy: -3.211 local terms energy: -615.579201 where: bonds (distance) C4'-P energy: -110.852 bonds (distance) P-C4' energy: -97.243 flat angles C4'-P-C4' energy: -134.776 flat angles P-C4'-P energy: -94.520 tors. eta vs tors. theta energy: -178.188 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: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2010.494411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.494411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.494411 (E_RNA) where: Base-Base interactions energy: -1371.372 where: short stacking energy: -594.262 Base-Backbone interact. energy: -3.309 local terms energy: -635.813234 where: bonds (distance) C4'-P energy: -103.831 bonds (distance) P-C4' energy: -130.666 flat angles C4'-P-C4' energy: -132.933 flat angles P-C4'-P energy: -91.392 tors. eta vs tors. theta energy: -176.991 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: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1716.808115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.808115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.808115 (E_RNA) where: Base-Base interactions energy: -1163.303 where: short stacking energy: -465.239 Base-Backbone interact. energy: -2.062 local terms energy: -551.443342 where: bonds (distance) C4'-P energy: -107.679 bonds (distance) P-C4' energy: -112.980 flat angles C4'-P-C4' energy: -129.429 flat angles P-C4'-P energy: -74.443 tors. eta vs tors. theta energy: -126.912 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: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1151.553273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.553273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.553273 (E_RNA) where: Base-Base interactions energy: -734.909 where: short stacking energy: -342.940 Base-Backbone interact. energy: -2.079 local terms energy: -414.564760 where: bonds (distance) C4'-P energy: -94.850 bonds (distance) P-C4' energy: -103.963 flat angles C4'-P-C4' energy: -101.877 flat angles P-C4'-P energy: -71.286 tors. eta vs tors. theta energy: -42.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -817.094592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.094592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.094592 (E_RNA) where: Base-Base interactions energy: -462.894 where: short stacking energy: -240.549 Base-Backbone interact. energy: -1.001 local terms energy: -353.199187 where: bonds (distance) C4'-P energy: -108.061 bonds (distance) P-C4' energy: -99.739 flat angles C4'-P-C4' energy: -89.209 flat angles P-C4'-P energy: -58.162 tors. eta vs tors. theta energy: 1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2605.306210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.306210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.306210 (E_RNA) where: Base-Base interactions energy: -1848.456 where: short stacking energy: -749.470 Base-Backbone interact. energy: -0.534 local terms energy: -756.315410 where: bonds (distance) C4'-P energy: -136.886 bonds (distance) P-C4' energy: -140.232 flat angles C4'-P-C4' energy: -162.151 flat angles P-C4'-P energy: -101.340 tors. eta vs tors. theta energy: -215.707 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: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2572.708618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.708618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.708618 (E_RNA) where: Base-Base interactions energy: -1832.943 where: short stacking energy: -743.472 Base-Backbone interact. energy: -4.114 local terms energy: -735.651764 where: bonds (distance) C4'-P energy: -122.716 bonds (distance) P-C4' energy: -124.097 flat angles C4'-P-C4' energy: -148.044 flat angles P-C4'-P energy: -125.081 tors. eta vs tors. theta energy: -215.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2448.909855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.909855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.909855 (E_RNA) where: Base-Base interactions energy: -1740.376 where: short stacking energy: -710.565 Base-Backbone interact. energy: 1.625 local terms energy: -710.158442 where: bonds (distance) C4'-P energy: -117.630 bonds (distance) P-C4' energy: -122.586 flat angles C4'-P-C4' energy: -158.487 flat angles P-C4'-P energy: -95.198 tors. eta vs tors. theta energy: -216.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2384.914043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.914043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.914043 (E_RNA) where: Base-Base interactions energy: -1706.616 where: short stacking energy: -687.330 Base-Backbone interact. energy: -0.826 local terms energy: -677.472030 where: bonds (distance) C4'-P energy: -118.937 bonds (distance) P-C4' energy: -114.981 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -86.621 tors. eta vs tors. theta energy: -211.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2313.547532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.547532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.547532 (E_RNA) where: Base-Base interactions energy: -1632.711 where: short stacking energy: -681.263 Base-Backbone interact. energy: 6.046 local terms energy: -686.882445 where: bonds (distance) C4'-P energy: -137.929 bonds (distance) P-C4' energy: -116.080 flat angles C4'-P-C4' energy: -138.543 flat angles P-C4'-P energy: -91.134 tors. eta vs tors. theta energy: -203.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2177.012383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.012383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.012383 (E_RNA) where: Base-Base interactions energy: -1557.015 where: short stacking energy: -616.437 Base-Backbone interact. energy: 0.039 local terms energy: -620.036253 where: bonds (distance) C4'-P energy: -115.270 bonds (distance) P-C4' energy: -111.054 flat angles C4'-P-C4' energy: -129.874 flat angles P-C4'-P energy: -79.930 tors. eta vs tors. theta energy: -183.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2005.968862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.968862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.968862 (E_RNA) where: Base-Base interactions energy: -1405.013 where: short stacking energy: -593.254 Base-Backbone interact. energy: -3.987 local terms energy: -596.968937 where: bonds (distance) C4'-P energy: -131.510 bonds (distance) P-C4' energy: -116.836 flat angles C4'-P-C4' energy: -122.475 flat angles P-C4'-P energy: -71.375 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: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1753.202125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.202125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.202125 (E_RNA) where: Base-Base interactions energy: -1183.311 where: short stacking energy: -532.433 Base-Backbone interact. energy: -3.138 local terms energy: -566.752519 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -122.280 flat angles C4'-P-C4' energy: -132.367 flat angles P-C4'-P energy: -59.813 tors. eta vs tors. theta energy: -142.396 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: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1092.368207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.368207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.368207 (E_RNA) where: Base-Base interactions energy: -677.401 where: short stacking energy: -319.867 Base-Backbone interact. energy: 2.582 local terms energy: -417.548709 where: bonds (distance) C4'-P energy: -105.286 bonds (distance) P-C4' energy: -108.195 flat angles C4'-P-C4' energy: -96.497 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -45.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -812.978370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.978370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.978370 (E_RNA) where: Base-Base interactions energy: -438.068 where: short stacking energy: -225.237 Base-Backbone interact. energy: 0.936 local terms energy: -375.845756 where: bonds (distance) C4'-P energy: -104.824 bonds (distance) P-C4' energy: -105.269 flat angles C4'-P-C4' energy: -110.602 flat angles P-C4'-P energy: -45.103 tors. eta vs tors. theta energy: -10.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2611.224313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.224313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.224313 (E_RNA) where: Base-Base interactions energy: -1864.799 where: short stacking energy: -766.530 Base-Backbone interact. energy: -3.503 local terms energy: -742.922700 where: bonds (distance) C4'-P energy: -149.628 bonds (distance) P-C4' energy: -102.320 flat angles C4'-P-C4' energy: -159.030 flat angles P-C4'-P energy: -108.115 tors. eta vs tors. theta energy: -223.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2565.201211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.201211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.201211 (E_RNA) where: Base-Base interactions energy: -1847.729 where: short stacking energy: -752.644 Base-Backbone interact. energy: 0.881 local terms energy: -718.353224 where: bonds (distance) C4'-P energy: -123.713 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -111.385 tors. eta vs tors. theta energy: -220.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2445.232546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.232546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.232546 (E_RNA) where: Base-Base interactions energy: -1727.432 where: short stacking energy: -702.702 Base-Backbone interact. energy: -2.895 local terms energy: -714.905134 where: bonds (distance) C4'-P energy: -127.067 bonds (distance) P-C4' energy: -130.288 flat angles C4'-P-C4' energy: -151.299 flat angles P-C4'-P energy: -92.933 tors. eta vs tors. theta energy: -213.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2436.757707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.757707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.757707 (E_RNA) where: Base-Base interactions energy: -1702.815 where: short stacking energy: -708.361 Base-Backbone interact. energy: -1.089 local terms energy: -732.853999 where: bonds (distance) C4'-P energy: -129.821 bonds (distance) P-C4' energy: -127.351 flat angles C4'-P-C4' energy: -155.143 flat angles P-C4'-P energy: -104.161 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: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2306.956053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.956053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.956053 (E_RNA) where: Base-Base interactions energy: -1655.483 where: short stacking energy: -664.035 Base-Backbone interact. energy: 1.634 local terms energy: -653.106801 where: bonds (distance) C4'-P energy: -131.902 bonds (distance) P-C4' energy: -114.857 flat angles C4'-P-C4' energy: -128.245 flat angles P-C4'-P energy: -85.925 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: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2157.283727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.283727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.283727 (E_RNA) where: Base-Base interactions energy: -1550.027 where: short stacking energy: -611.569 Base-Backbone interact. energy: 2.931 local terms energy: -610.187870 where: bonds (distance) C4'-P energy: -100.422 bonds (distance) P-C4' energy: -118.802 flat angles C4'-P-C4' energy: -136.811 flat angles P-C4'-P energy: -85.767 tors. eta vs tors. theta energy: -168.385 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: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1964.651534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.651534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.651534 (E_RNA) where: Base-Base interactions energy: -1383.675 where: short stacking energy: -565.694 Base-Backbone interact. energy: 0.701 local terms energy: -581.677862 where: bonds (distance) C4'-P energy: -119.171 bonds (distance) P-C4' energy: -102.850 flat angles C4'-P-C4' energy: -129.577 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -156.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1741.524868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.524868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.524868 (E_RNA) where: Base-Base interactions energy: -1208.028 where: short stacking energy: -492.310 Base-Backbone interact. energy: -1.165 local terms energy: -532.331378 where: bonds (distance) C4'-P energy: -84.406 bonds (distance) P-C4' energy: -126.357 flat angles C4'-P-C4' energy: -125.330 flat angles P-C4'-P energy: -64.616 tors. eta vs tors. theta energy: -131.623 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: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1120.174145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.174145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.174145 (E_RNA) where: Base-Base interactions energy: -688.032 where: short stacking energy: -321.780 Base-Backbone interact. energy: 0.294 local terms energy: -432.435959 where: bonds (distance) C4'-P energy: -101.765 bonds (distance) P-C4' energy: -114.648 flat angles C4'-P-C4' energy: -100.844 flat angles P-C4'-P energy: -69.902 tors. eta vs tors. theta energy: -45.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -790.659752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.659752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.659752 (E_RNA) where: Base-Base interactions energy: -425.405 where: short stacking energy: -218.520 Base-Backbone interact. energy: 4.798 local terms energy: -370.052907 where: bonds (distance) C4'-P energy: -106.262 bonds (distance) P-C4' energy: -112.111 flat angles C4'-P-C4' energy: -104.993 flat angles P-C4'-P energy: -58.656 tors. eta vs tors. theta energy: 11.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2612.057034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.057034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.057034 (E_RNA) where: Base-Base interactions energy: -1830.335 where: short stacking energy: -736.973 Base-Backbone interact. energy: -2.424 local terms energy: -779.297762 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -156.271 flat angles P-C4'-P energy: -109.700 tors. eta vs tors. theta energy: -225.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2542.909581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.909581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.909581 (E_RNA) where: Base-Base interactions energy: -1808.855 where: short stacking energy: -721.253 Base-Backbone interact. energy: -2.152 local terms energy: -731.901869 where: bonds (distance) C4'-P energy: -119.385 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -158.746 flat angles P-C4'-P energy: -109.501 tors. eta vs tors. theta energy: -214.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2453.824459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.824459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.824459 (E_RNA) where: Base-Base interactions energy: -1718.491 where: short stacking energy: -702.984 Base-Backbone interact. energy: -3.019 local terms energy: -732.314133 where: bonds (distance) C4'-P energy: -121.120 bonds (distance) P-C4' energy: -136.849 flat angles C4'-P-C4' energy: -155.109 flat angles P-C4'-P energy: -107.755 tors. eta vs tors. theta energy: -211.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2420.783855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.783855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.783855 (E_RNA) where: Base-Base interactions energy: -1699.523 where: short stacking energy: -694.868 Base-Backbone interact. energy: -2.351 local terms energy: -718.910285 where: bonds (distance) C4'-P energy: -123.048 bonds (distance) P-C4' energy: -119.472 flat angles C4'-P-C4' energy: -145.509 flat angles P-C4'-P energy: -111.921 tors. eta vs tors. theta energy: -218.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2302.918235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.918235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.918235 (E_RNA) where: Base-Base interactions energy: -1651.864 where: short stacking energy: -672.198 Base-Backbone interact. energy: 1.406 local terms energy: -652.460260 where: bonds (distance) C4'-P energy: -110.943 bonds (distance) P-C4' energy: -117.416 flat angles C4'-P-C4' energy: -139.695 flat angles P-C4'-P energy: -85.420 tors. eta vs tors. theta energy: -198.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2095.046633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.046633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.046633 (E_RNA) where: Base-Base interactions energy: -1472.893 where: short stacking energy: -610.765 Base-Backbone interact. energy: 0.452 local terms energy: -622.606144 where: bonds (distance) C4'-P energy: -95.635 bonds (distance) P-C4' energy: -112.582 flat angles C4'-P-C4' energy: -130.259 flat angles P-C4'-P energy: -103.055 tors. eta vs tors. theta energy: -181.075 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: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2015.819112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.819112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.819112 (E_RNA) where: Base-Base interactions energy: -1391.346 where: short stacking energy: -585.370 Base-Backbone interact. energy: -0.808 local terms energy: -623.665097 where: bonds (distance) C4'-P energy: -117.346 bonds (distance) P-C4' energy: -114.837 flat angles C4'-P-C4' energy: -143.457 flat angles P-C4'-P energy: -84.025 tors. eta vs tors. theta energy: -164.000 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: 247 Temperature: 1.250000 Total energy: -1838.541797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.541797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.541797 (E_RNA) where: Base-Base interactions energy: -1261.865 where: short stacking energy: -494.292 Base-Backbone interact. energy: -1.798 local terms energy: -574.879011 where: bonds (distance) C4'-P energy: -121.327 bonds (distance) P-C4' energy: -120.709 flat angles C4'-P-C4' energy: -117.224 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -135.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1143.817091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.817091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.817091 (E_RNA) where: Base-Base interactions energy: -713.578 where: short stacking energy: -326.203 Base-Backbone interact. energy: 1.473 local terms energy: -431.711796 where: bonds (distance) C4'-P energy: -102.134 bonds (distance) P-C4' energy: -110.352 flat angles C4'-P-C4' energy: -100.201 flat angles P-C4'-P energy: -71.780 tors. eta vs tors. theta energy: -47.246 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: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -836.808075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.808075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.808075 (E_RNA) where: Base-Base interactions energy: -469.636 where: short stacking energy: -242.070 Base-Backbone interact. energy: -1.920 local terms energy: -365.252273 where: bonds (distance) C4'-P energy: -118.097 bonds (distance) P-C4' energy: -95.035 flat angles C4'-P-C4' energy: -88.044 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -13.638 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: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2600.532187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.532187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.532187 (E_RNA) where: Base-Base interactions energy: -1853.220 where: short stacking energy: -764.143 Base-Backbone interact. energy: -0.986 local terms energy: -746.325748 where: bonds (distance) C4'-P energy: -138.247 bonds (distance) P-C4' energy: -123.587 flat angles C4'-P-C4' energy: -157.466 flat angles P-C4'-P energy: -97.973 tors. eta vs tors. theta energy: -229.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2535.507686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.507686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.507686 (E_RNA) where: Base-Base interactions energy: -1797.297 where: short stacking energy: -741.054 Base-Backbone interact. energy: 0.625 local terms energy: -738.836141 where: bonds (distance) C4'-P energy: -120.914 bonds (distance) P-C4' energy: -138.831 flat angles C4'-P-C4' energy: -157.369 flat angles P-C4'-P energy: -105.136 tors. eta vs tors. theta energy: -216.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2475.962686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.962686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.962686 (E_RNA) where: Base-Base interactions energy: -1755.883 where: short stacking energy: -739.351 Base-Backbone interact. energy: -3.979 local terms energy: -716.101249 where: bonds (distance) C4'-P energy: -114.020 bonds (distance) P-C4' energy: -140.495 flat angles C4'-P-C4' energy: -152.063 flat angles P-C4'-P energy: -90.555 tors. eta vs tors. theta energy: -218.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2373.466787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.466787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.466787 (E_RNA) where: Base-Base interactions energy: -1685.785 where: short stacking energy: -671.744 Base-Backbone interact. energy: -3.211 local terms energy: -684.470130 where: bonds (distance) C4'-P energy: -111.717 bonds (distance) P-C4' energy: -114.403 flat angles C4'-P-C4' energy: -154.365 flat angles P-C4'-P energy: -91.939 tors. eta vs tors. theta energy: -212.047 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: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2340.711345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.711345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.711345 (E_RNA) where: Base-Base interactions energy: -1646.995 where: short stacking energy: -679.102 Base-Backbone interact. energy: -0.488 local terms energy: -693.228095 where: bonds (distance) C4'-P energy: -128.884 bonds (distance) P-C4' energy: -124.591 flat angles C4'-P-C4' energy: -144.705 flat angles P-C4'-P energy: -94.576 tors. eta vs tors. theta energy: -200.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2086.150241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.150241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.150241 (E_RNA) where: Base-Base interactions energy: -1496.704 where: short stacking energy: -595.603 Base-Backbone interact. energy: -1.435 local terms energy: -588.011487 where: bonds (distance) C4'-P energy: -103.254 bonds (distance) P-C4' energy: -115.987 flat angles C4'-P-C4' energy: -130.750 flat angles P-C4'-P energy: -78.180 tors. eta vs tors. theta energy: -159.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1977.561978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.561978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.561978 (E_RNA) where: Base-Base interactions energy: -1381.126 where: short stacking energy: -560.771 Base-Backbone interact. energy: 2.440 local terms energy: -598.876234 where: bonds (distance) C4'-P energy: -112.177 bonds (distance) P-C4' energy: -117.787 flat angles C4'-P-C4' energy: -137.854 flat angles P-C4'-P energy: -73.946 tors. eta vs tors. theta energy: -157.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1779.299026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.299026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.299026 (E_RNA) where: Base-Base interactions energy: -1206.082 where: short stacking energy: -500.898 Base-Backbone interact. energy: -1.456 local terms energy: -571.760543 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -101.263 flat angles C4'-P-C4' energy: -124.208 flat angles P-C4'-P energy: -87.334 tors. eta vs tors. theta energy: -135.608 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: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1118.800613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.800613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.800613 (E_RNA) where: Base-Base interactions energy: -661.904 where: short stacking energy: -299.292 Base-Backbone interact. energy: 4.748 local terms energy: -461.644369 where: bonds (distance) C4'-P energy: -114.919 bonds (distance) P-C4' energy: -115.231 flat angles C4'-P-C4' energy: -104.667 flat angles P-C4'-P energy: -69.867 tors. eta vs tors. theta energy: -56.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -946.184026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.184026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.184026 (E_RNA) where: Base-Base interactions energy: -514.600 where: short stacking energy: -279.306 Base-Backbone interact. energy: -2.646 local terms energy: -428.938094 where: bonds (distance) C4'-P energy: -105.885 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -107.349 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -21.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2611.907524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.907524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.907524 (E_RNA) where: Base-Base interactions energy: -1851.246 where: short stacking energy: -753.139 Base-Backbone interact. energy: -1.663 local terms energy: -758.999361 where: bonds (distance) C4'-P energy: -134.595 bonds (distance) P-C4' energy: -138.258 flat angles C4'-P-C4' energy: -160.742 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -220.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2538.790499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.790499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.790499 (E_RNA) where: Base-Base interactions energy: -1820.695 where: short stacking energy: -743.572 Base-Backbone interact. energy: -2.750 local terms energy: -715.345708 where: bonds (distance) C4'-P energy: -135.535 bonds (distance) P-C4' energy: -130.840 flat angles C4'-P-C4' energy: -138.126 flat angles P-C4'-P energy: -98.047 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: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2531.490697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.490697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.490697 (E_RNA) where: Base-Base interactions energy: -1792.841 where: short stacking energy: -751.169 Base-Backbone interact. energy: -1.050 local terms energy: -737.599686 where: bonds (distance) C4'-P energy: -128.004 bonds (distance) P-C4' energy: -130.335 flat angles C4'-P-C4' energy: -145.797 flat angles P-C4'-P energy: -107.934 tors. eta vs tors. theta energy: -225.530 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: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2365.202369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.202369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.202369 (E_RNA) where: Base-Base interactions energy: -1694.111 where: short stacking energy: -685.405 Base-Backbone interact. energy: -3.114 local terms energy: -667.977240 where: bonds (distance) C4'-P energy: -112.415 bonds (distance) P-C4' energy: -124.064 flat angles C4'-P-C4' energy: -145.364 flat angles P-C4'-P energy: -89.192 tors. eta vs tors. theta energy: -196.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2328.590350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.590350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.590350 (E_RNA) where: Base-Base interactions energy: -1667.709 where: short stacking energy: -703.462 Base-Backbone interact. energy: -0.141 local terms energy: -660.740497 where: bonds (distance) C4'-P energy: -115.057 bonds (distance) P-C4' energy: -118.156 flat angles C4'-P-C4' energy: -130.852 flat angles P-C4'-P energy: -89.705 tors. eta vs tors. theta energy: -206.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2118.373373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.373373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.373373 (E_RNA) where: Base-Base interactions energy: -1497.664 where: short stacking energy: -612.791 Base-Backbone interact. energy: -1.588 local terms energy: -619.122035 where: bonds (distance) C4'-P energy: -103.397 bonds (distance) P-C4' energy: -126.318 flat angles C4'-P-C4' energy: -129.806 flat angles P-C4'-P energy: -85.808 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: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2050.908714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.908714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.908714 (E_RNA) where: Base-Base interactions energy: -1448.502 where: short stacking energy: -609.633 Base-Backbone interact. energy: -2.282 local terms energy: -600.124030 where: bonds (distance) C4'-P energy: -97.577 bonds (distance) P-C4' energy: -115.916 flat angles C4'-P-C4' energy: -129.998 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -178.035 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: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1817.496410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.496410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.496410 (E_RNA) where: Base-Base interactions energy: -1265.307 where: short stacking energy: -517.821 Base-Backbone interact. energy: 3.924 local terms energy: -556.113638 where: bonds (distance) C4'-P energy: -106.421 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -122.336 flat angles P-C4'-P energy: -74.942 tors. eta vs tors. theta energy: -144.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1126.582029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.582029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.582029 (E_RNA) where: Base-Base interactions energy: -691.790 where: short stacking energy: -320.363 Base-Backbone interact. energy: 1.510 local terms energy: -436.301841 where: bonds (distance) C4'-P energy: -102.712 bonds (distance) P-C4' energy: -122.626 flat angles C4'-P-C4' energy: -107.430 flat angles P-C4'-P energy: -65.411 tors. eta vs tors. theta energy: -38.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -898.489503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.489503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.489503 (E_RNA) where: Base-Base interactions energy: -482.627 where: short stacking energy: -259.212 Base-Backbone interact. energy: -0.320 local terms energy: -415.542595 where: bonds (distance) C4'-P energy: -113.141 bonds (distance) P-C4' energy: -116.469 flat angles C4'-P-C4' energy: -84.075 flat angles P-C4'-P energy: -69.265 tors. eta vs tors. theta energy: -32.593 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: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2601.367385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.367385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.367385 (E_RNA) where: Base-Base interactions energy: -1829.903 where: short stacking energy: -750.234 Base-Backbone interact. energy: -1.614 local terms energy: -769.850157 where: bonds (distance) C4'-P energy: -140.385 bonds (distance) P-C4' energy: -138.301 flat angles C4'-P-C4' energy: -162.110 flat angles P-C4'-P energy: -109.531 tors. eta vs tors. theta energy: -219.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2540.924071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.924071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.924071 (E_RNA) where: Base-Base interactions energy: -1814.153 where: short stacking energy: -754.907 Base-Backbone interact. energy: -4.419 local terms energy: -722.352673 where: bonds (distance) C4'-P energy: -112.742 bonds (distance) P-C4' energy: -131.172 flat angles C4'-P-C4' energy: -152.991 flat angles P-C4'-P energy: -110.308 tors. eta vs tors. theta energy: -215.140 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: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2466.102154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.102154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.102154 (E_RNA) where: Base-Base interactions energy: -1754.405 where: short stacking energy: -738.273 Base-Backbone interact. energy: 1.370 local terms energy: -713.067625 where: bonds (distance) C4'-P energy: -126.183 bonds (distance) P-C4' energy: -125.849 flat angles C4'-P-C4' energy: -139.340 flat angles P-C4'-P energy: -109.783 tors. eta vs tors. theta energy: -211.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2386.958089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.958089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.958089 (E_RNA) where: Base-Base interactions energy: -1716.853 where: short stacking energy: -717.601 Base-Backbone interact. energy: -3.940 local terms energy: -666.164696 where: bonds (distance) C4'-P energy: -113.807 bonds (distance) P-C4' energy: -107.041 flat angles C4'-P-C4' energy: -154.065 flat angles P-C4'-P energy: -79.637 tors. eta vs tors. theta energy: -211.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2351.155338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.155338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.155338 (E_RNA) where: Base-Base interactions energy: -1656.229 where: short stacking energy: -671.769 Base-Backbone interact. energy: 1.216 local terms energy: -696.142140 where: bonds (distance) C4'-P energy: -135.350 bonds (distance) P-C4' energy: -109.014 flat angles C4'-P-C4' energy: -150.932 flat angles P-C4'-P energy: -81.525 tors. eta vs tors. theta energy: -219.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2131.419302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.419302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.419302 (E_RNA) where: Base-Base interactions energy: -1524.283 where: short stacking energy: -630.055 Base-Backbone interact. energy: -0.418 local terms energy: -606.718308 where: bonds (distance) C4'-P energy: -115.643 bonds (distance) P-C4' energy: -92.280 flat angles C4'-P-C4' energy: -138.522 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -186.603 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: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2029.639956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.639956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.639956 (E_RNA) where: Base-Base interactions energy: -1428.804 where: short stacking energy: -600.442 Base-Backbone interact. energy: 1.526 local terms energy: -602.361345 where: bonds (distance) C4'-P energy: -91.278 bonds (distance) P-C4' energy: -107.871 flat angles C4'-P-C4' energy: -129.443 flat angles P-C4'-P energy: -105.985 tors. eta vs tors. theta energy: -167.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1864.679252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.679252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.679252 (E_RNA) where: Base-Base interactions energy: -1282.186 where: short stacking energy: -540.909 Base-Backbone interact. energy: -2.615 local terms energy: -579.877795 where: bonds (distance) C4'-P energy: -112.129 bonds (distance) P-C4' energy: -111.283 flat angles C4'-P-C4' energy: -115.681 flat angles P-C4'-P energy: -80.753 tors. eta vs tors. theta energy: -160.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1192.890588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.890588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.890588 (E_RNA) where: Base-Base interactions energy: -746.632 where: short stacking energy: -356.477 Base-Backbone interact. energy: -1.214 local terms energy: -445.044594 where: bonds (distance) C4'-P energy: -117.432 bonds (distance) P-C4' energy: -105.863 flat angles C4'-P-C4' energy: -117.106 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: -49.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -897.981425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.981425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.981425 (E_RNA) where: Base-Base interactions energy: -506.379 where: short stacking energy: -241.386 Base-Backbone interact. energy: 3.311 local terms energy: -394.914198 where: bonds (distance) C4'-P energy: -94.402 bonds (distance) P-C4' energy: -102.509 flat angles C4'-P-C4' energy: -112.757 flat angles P-C4'-P energy: -74.840 tors. eta vs tors. theta energy: -10.406 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: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2607.726773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.726773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.726773 (E_RNA) where: Base-Base interactions energy: -1843.125 where: short stacking energy: -757.745 Base-Backbone interact. energy: -4.133 local terms energy: -760.468891 where: bonds (distance) C4'-P energy: -131.535 bonds (distance) P-C4' energy: -137.371 flat angles C4'-P-C4' energy: -156.673 flat angles P-C4'-P energy: -109.965 tors. eta vs tors. theta energy: -224.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2545.492346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.492346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.492346 (E_RNA) where: Base-Base interactions energy: -1791.109 where: short stacking energy: -741.129 Base-Backbone interact. energy: -0.497 local terms energy: -753.885408 where: bonds (distance) C4'-P energy: -135.832 bonds (distance) P-C4' energy: -140.957 flat angles C4'-P-C4' energy: -143.576 flat angles P-C4'-P energy: -110.661 tors. eta vs tors. theta energy: -222.860 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: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2477.939950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.939950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.939950 (E_RNA) where: Base-Base interactions energy: -1742.870 where: short stacking energy: -710.484 Base-Backbone interact. energy: -0.380 local terms energy: -734.689306 where: bonds (distance) C4'-P energy: -136.803 bonds (distance) P-C4' energy: -136.011 flat angles C4'-P-C4' energy: -151.539 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -206.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2395.239648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.239648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.239648 (E_RNA) where: Base-Base interactions energy: -1719.672 where: short stacking energy: -691.108 Base-Backbone interact. energy: 0.428 local terms energy: -675.996129 where: bonds (distance) C4'-P energy: -115.239 bonds (distance) P-C4' energy: -114.079 flat angles C4'-P-C4' energy: -144.207 flat angles P-C4'-P energy: -107.264 tors. eta vs tors. theta energy: -195.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2335.089709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.089709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.089709 (E_RNA) where: Base-Base interactions energy: -1627.910 where: short stacking energy: -665.715 Base-Backbone interact. energy: -2.466 local terms energy: -704.713653 where: bonds (distance) C4'-P energy: -124.376 bonds (distance) P-C4' energy: -120.922 flat angles C4'-P-C4' energy: -142.561 flat angles P-C4'-P energy: -98.147 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: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2089.330325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.330325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.330325 (E_RNA) where: Base-Base interactions energy: -1464.429 where: short stacking energy: -590.537 Base-Backbone interact. energy: -1.080 local terms energy: -623.821558 where: bonds (distance) C4'-P energy: -120.715 bonds (distance) P-C4' energy: -106.908 flat angles C4'-P-C4' energy: -138.286 flat angles P-C4'-P energy: -85.988 tors. eta vs tors. theta energy: -171.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1947.497243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.497243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.497243 (E_RNA) where: Base-Base interactions energy: -1353.030 where: short stacking energy: -583.452 Base-Backbone interact. energy: -0.911 local terms energy: -593.556132 where: bonds (distance) C4'-P energy: -111.202 bonds (distance) P-C4' energy: -110.978 flat angles C4'-P-C4' energy: -131.131 flat angles P-C4'-P energy: -77.061 tors. eta vs tors. theta energy: -163.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1864.127893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.127893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.127893 (E_RNA) where: Base-Base interactions energy: -1278.040 where: short stacking energy: -539.954 Base-Backbone interact. energy: 0.729 local terms energy: -586.816788 where: bonds (distance) C4'-P energy: -100.690 bonds (distance) P-C4' energy: -103.601 flat angles C4'-P-C4' energy: -135.245 flat angles P-C4'-P energy: -87.360 tors. eta vs tors. theta energy: -159.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1202.423125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.423125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.423125 (E_RNA) where: Base-Base interactions energy: -752.546 where: short stacking energy: -339.721 Base-Backbone interact. energy: -3.315 local terms energy: -446.562903 where: bonds (distance) C4'-P energy: -99.220 bonds (distance) P-C4' energy: -125.776 flat angles C4'-P-C4' energy: -112.907 flat angles P-C4'-P energy: -51.796 tors. eta vs tors. theta energy: -56.864 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: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -866.110879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.110879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.110879 (E_RNA) where: Base-Base interactions energy: -507.660 where: short stacking energy: -252.905 Base-Backbone interact. energy: -0.490 local terms energy: -357.960928 where: bonds (distance) C4'-P energy: -101.620 bonds (distance) P-C4' energy: -103.180 flat angles C4'-P-C4' energy: -80.479 flat angles P-C4'-P energy: -54.046 tors. eta vs tors. theta energy: -18.636 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: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2629.587230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.587230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.587230 (E_RNA) where: Base-Base interactions energy: -1850.908 where: short stacking energy: -754.556 Base-Backbone interact. energy: 4.038 local terms energy: -782.717359 where: bonds (distance) C4'-P energy: -142.725 bonds (distance) P-C4' energy: -129.666 flat angles C4'-P-C4' energy: -165.186 flat angles P-C4'-P energy: -117.911 tors. eta vs tors. theta energy: -227.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2511.025790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.025790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.025790 (E_RNA) where: Base-Base interactions energy: -1756.184 where: short stacking energy: -732.033 Base-Backbone interact. energy: 0.356 local terms energy: -755.197778 where: bonds (distance) C4'-P energy: -144.889 bonds (distance) P-C4' energy: -136.050 flat angles C4'-P-C4' energy: -143.263 flat angles P-C4'-P energy: -116.916 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: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2508.084066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.084066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.084066 (E_RNA) where: Base-Base interactions energy: -1785.002 where: short stacking energy: -708.155 Base-Backbone interact. energy: -0.559 local terms energy: -722.522736 where: bonds (distance) C4'-P energy: -128.836 bonds (distance) P-C4' energy: -137.774 flat angles C4'-P-C4' energy: -149.220 flat angles P-C4'-P energy: -91.870 tors. eta vs tors. theta energy: -214.823 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: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2390.406106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.406106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.406106 (E_RNA) where: Base-Base interactions energy: -1727.265 where: short stacking energy: -694.391 Base-Backbone interact. energy: -0.845 local terms energy: -662.296480 where: bonds (distance) C4'-P energy: -119.612 bonds (distance) P-C4' energy: -126.081 flat angles C4'-P-C4' energy: -134.936 flat angles P-C4'-P energy: -89.096 tors. eta vs tors. theta energy: -192.572 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: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2316.377932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.377932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.377932 (E_RNA) where: Base-Base interactions energy: -1632.132 where: short stacking energy: -664.895 Base-Backbone interact. energy: 1.875 local terms energy: -686.121258 where: bonds (distance) C4'-P energy: -119.202 bonds (distance) P-C4' energy: -123.866 flat angles C4'-P-C4' energy: -139.222 flat angles P-C4'-P energy: -95.348 tors. eta vs tors. theta energy: -208.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2087.940975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.940975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.940975 (E_RNA) where: Base-Base interactions energy: -1451.420 where: short stacking energy: -605.513 Base-Backbone interact. energy: -1.349 local terms energy: -635.172229 where: bonds (distance) C4'-P energy: -122.975 bonds (distance) P-C4' energy: -105.257 flat angles C4'-P-C4' energy: -134.963 flat angles P-C4'-P energy: -88.945 tors. eta vs tors. theta energy: -183.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1989.710055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.710055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.710055 (E_RNA) where: Base-Base interactions energy: -1362.046 where: short stacking energy: -558.885 Base-Backbone interact. energy: -1.565 local terms energy: -626.098609 where: bonds (distance) C4'-P energy: -124.341 bonds (distance) P-C4' energy: -115.200 flat angles C4'-P-C4' energy: -145.101 flat angles P-C4'-P energy: -85.222 tors. eta vs tors. theta energy: -156.234 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: 252 Temperature: 1.250000 Total energy: -1881.540151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.540151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.540151 (E_RNA) where: Base-Base interactions energy: -1334.514 where: short stacking energy: -542.296 Base-Backbone interact. energy: -1.879 local terms energy: -545.147696 where: bonds (distance) C4'-P energy: -88.333 bonds (distance) P-C4' energy: -108.134 flat angles C4'-P-C4' energy: -125.977 flat angles P-C4'-P energy: -72.943 tors. eta vs tors. theta energy: -149.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1205.703677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.703677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.703677 (E_RNA) where: Base-Base interactions energy: -778.871 where: short stacking energy: -381.797 Base-Backbone interact. energy: 6.451 local terms energy: -433.283311 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -113.948 flat angles C4'-P-C4' energy: -101.616 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -58.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -913.955628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.955628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.955628 (E_RNA) where: Base-Base interactions energy: -525.327 where: short stacking energy: -250.644 Base-Backbone interact. energy: -3.373 local terms energy: -385.255114 where: bonds (distance) C4'-P energy: -105.553 bonds (distance) P-C4' energy: -112.666 flat angles C4'-P-C4' energy: -108.033 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -10.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2600.284037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.284037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.284037 (E_RNA) where: Base-Base interactions energy: -1830.840 where: short stacking energy: -742.903 Base-Backbone interact. energy: -1.645 local terms energy: -767.798826 where: bonds (distance) C4'-P energy: -121.705 bonds (distance) P-C4' energy: -146.906 flat angles C4'-P-C4' energy: -167.378 flat angles P-C4'-P energy: -111.527 tors. eta vs tors. theta energy: -220.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2546.404805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.404805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.404805 (E_RNA) where: Base-Base interactions energy: -1794.575 where: short stacking energy: -735.894 Base-Backbone interact. energy: -0.206 local terms energy: -751.624236 where: bonds (distance) C4'-P energy: -136.845 bonds (distance) P-C4' energy: -134.763 flat angles C4'-P-C4' energy: -152.593 flat angles P-C4'-P energy: -112.767 tors. eta vs tors. theta energy: -214.657 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: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2478.057678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.057678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.057678 (E_RNA) where: Base-Base interactions energy: -1719.960 where: short stacking energy: -727.294 Base-Backbone interact. energy: 0.569 local terms energy: -758.666646 where: bonds (distance) C4'-P energy: -121.612 bonds (distance) P-C4' energy: -139.808 flat angles C4'-P-C4' energy: -157.370 flat angles P-C4'-P energy: -109.322 tors. eta vs tors. theta energy: -230.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2407.562563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.562563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.562563 (E_RNA) where: Base-Base interactions energy: -1688.080 where: short stacking energy: -693.033 Base-Backbone interact. energy: -0.874 local terms energy: -718.608167 where: bonds (distance) C4'-P energy: -123.044 bonds (distance) P-C4' energy: -127.660 flat angles C4'-P-C4' energy: -156.752 flat angles P-C4'-P energy: -105.400 tors. eta vs tors. theta energy: -205.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2356.480747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.480747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.480747 (E_RNA) where: Base-Base interactions energy: -1663.869 where: short stacking energy: -677.203 Base-Backbone interact. energy: -2.474 local terms energy: -690.138025 where: bonds (distance) C4'-P energy: -141.787 bonds (distance) P-C4' energy: -118.068 flat angles C4'-P-C4' energy: -144.325 flat angles P-C4'-P energy: -87.681 tors. eta vs tors. theta energy: -198.277 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: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2172.171574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.171574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.171574 (E_RNA) where: Base-Base interactions energy: -1521.236 where: short stacking energy: -615.655 Base-Backbone interact. energy: -0.991 local terms energy: -649.944131 where: bonds (distance) C4'-P energy: -108.767 bonds (distance) P-C4' energy: -126.482 flat angles C4'-P-C4' energy: -144.337 flat angles P-C4'-P energy: -91.351 tors. eta vs tors. theta energy: -179.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1978.507816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.507816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.507816 (E_RNA) where: Base-Base interactions energy: -1372.316 where: short stacking energy: -585.323 Base-Backbone interact. energy: -1.620 local terms energy: -604.571276 where: bonds (distance) C4'-P energy: -96.604 bonds (distance) P-C4' energy: -111.202 flat angles C4'-P-C4' energy: -120.369 flat angles P-C4'-P energy: -104.805 tors. eta vs tors. theta energy: -171.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1884.315211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.315211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.315211 (E_RNA) where: Base-Base interactions energy: -1325.352 where: short stacking energy: -568.263 Base-Backbone interact. energy: 3.485 local terms energy: -562.448105 where: bonds (distance) C4'-P energy: -101.860 bonds (distance) P-C4' energy: -94.337 flat angles C4'-P-C4' energy: -121.765 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: -166.458 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: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1149.545952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.545952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.545952 (E_RNA) where: Base-Base interactions energy: -675.265 where: short stacking energy: -290.220 Base-Backbone interact. energy: 3.235 local terms energy: -477.516252 where: bonds (distance) C4'-P energy: -109.418 bonds (distance) P-C4' energy: -125.572 flat angles C4'-P-C4' energy: -123.332 flat angles P-C4'-P energy: -65.492 tors. eta vs tors. theta energy: -53.703 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: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -979.795443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.795443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.795443 (E_RNA) where: Base-Base interactions energy: -575.812 where: short stacking energy: -247.115 Base-Backbone interact. energy: -2.537 local terms energy: -401.446314 where: bonds (distance) C4'-P energy: -113.380 bonds (distance) P-C4' energy: -116.681 flat angles C4'-P-C4' energy: -87.968 flat angles P-C4'-P energy: -60.993 tors. eta vs tors. theta energy: -22.424 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: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2607.423220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.423220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.423220 (E_RNA) where: Base-Base interactions energy: -1834.306 where: short stacking energy: -759.649 Base-Backbone interact. energy: -1.957 local terms energy: -771.160008 where: bonds (distance) C4'-P energy: -139.402 bonds (distance) P-C4' energy: -155.405 flat angles C4'-P-C4' energy: -150.414 flat angles P-C4'-P energy: -100.586 tors. eta vs tors. theta energy: -225.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2516.548005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.548005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.548005 (E_RNA) where: Base-Base interactions energy: -1814.898 where: short stacking energy: -740.819 Base-Backbone interact. energy: -3.142 local terms energy: -698.508588 where: bonds (distance) C4'-P energy: -112.778 bonds (distance) P-C4' energy: -132.755 flat angles C4'-P-C4' energy: -151.345 flat angles P-C4'-P energy: -96.806 tors. eta vs tors. theta energy: -204.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2478.257802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.257802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.257802 (E_RNA) where: Base-Base interactions energy: -1758.416 where: short stacking energy: -721.245 Base-Backbone interact. energy: -1.507 local terms energy: -718.334829 where: bonds (distance) C4'-P energy: -109.002 bonds (distance) P-C4' energy: -132.149 flat angles C4'-P-C4' energy: -148.921 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -227.910 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: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2397.721165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.721165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.721165 (E_RNA) where: Base-Base interactions energy: -1693.461 where: short stacking energy: -699.987 Base-Backbone interact. energy: -2.646 local terms energy: -701.614292 where: bonds (distance) C4'-P energy: -131.045 bonds (distance) P-C4' energy: -117.517 flat angles C4'-P-C4' energy: -145.285 flat angles P-C4'-P energy: -95.374 tors. eta vs tors. theta energy: -212.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2389.225523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.225523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.225523 (E_RNA) where: Base-Base interactions energy: -1701.381 where: short stacking energy: -679.544 Base-Backbone interact. energy: 0.405 local terms energy: -688.250329 where: bonds (distance) C4'-P energy: -118.914 bonds (distance) P-C4' energy: -115.870 flat angles C4'-P-C4' energy: -139.836 flat angles P-C4'-P energy: -110.693 tors. eta vs tors. theta energy: -202.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2151.426608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.426608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.426608 (E_RNA) where: Base-Base interactions energy: -1525.711 where: short stacking energy: -608.690 Base-Backbone interact. energy: -2.952 local terms energy: -622.764267 where: bonds (distance) C4'-P energy: -119.656 bonds (distance) P-C4' energy: -117.668 flat angles C4'-P-C4' energy: -133.269 flat angles P-C4'-P energy: -78.010 tors. eta vs tors. theta energy: -174.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2053.638133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.638133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.638133 (E_RNA) where: Base-Base interactions energy: -1433.327 where: short stacking energy: -581.404 Base-Backbone interact. energy: -0.022 local terms energy: -620.289159 where: bonds (distance) C4'-P energy: -101.759 bonds (distance) P-C4' energy: -126.013 flat angles C4'-P-C4' energy: -142.260 flat angles P-C4'-P energy: -78.141 tors. eta vs tors. theta energy: -172.115 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: 254 Temperature: 1.250000 Total energy: -1885.230227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.230227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.230227 (E_RNA) where: Base-Base interactions energy: -1297.060 where: short stacking energy: -523.711 Base-Backbone interact. energy: -1.651 local terms energy: -586.519117 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -118.751 flat angles C4'-P-C4' energy: -127.231 flat angles P-C4'-P energy: -69.188 tors. eta vs tors. theta energy: -159.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1188.010707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.010707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.010707 (E_RNA) where: Base-Base interactions energy: -753.992 where: short stacking energy: -344.162 Base-Backbone interact. energy: -2.125 local terms energy: -431.893997 where: bonds (distance) C4'-P energy: -101.287 bonds (distance) P-C4' energy: -106.156 flat angles C4'-P-C4' energy: -121.807 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -54.353 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: 254 Temperature: 1.350000 Total energy: -1003.997411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.997411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.997411 (E_RNA) where: Base-Base interactions energy: -619.568 where: short stacking energy: -271.743 Base-Backbone interact. energy: 1.841 local terms energy: -386.270235 where: bonds (distance) C4'-P energy: -102.801 bonds (distance) P-C4' energy: -104.899 flat angles C4'-P-C4' energy: -91.993 flat angles P-C4'-P energy: -55.925 tors. eta vs tors. theta energy: -30.652 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: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2594.363486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.363486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.363486 (E_RNA) where: Base-Base interactions energy: -1825.183 where: short stacking energy: -750.815 Base-Backbone interact. energy: -1.440 local terms energy: -767.740794 where: bonds (distance) C4'-P energy: -143.848 bonds (distance) P-C4' energy: -135.288 flat angles C4'-P-C4' energy: -160.615 flat angles P-C4'-P energy: -106.850 tors. eta vs tors. theta energy: -221.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2529.431780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.431780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.431780 (E_RNA) where: Base-Base interactions energy: -1782.095 where: short stacking energy: -692.357 Base-Backbone interact. energy: -1.577 local terms energy: -745.760445 where: bonds (distance) C4'-P energy: -146.059 bonds (distance) P-C4' energy: -138.182 flat angles C4'-P-C4' energy: -156.750 flat angles P-C4'-P energy: -100.790 tors. eta vs tors. theta energy: -203.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2500.799995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.799995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.799995 (E_RNA) where: Base-Base interactions energy: -1750.473 where: short stacking energy: -723.019 Base-Backbone interact. energy: -0.220 local terms energy: -750.106465 where: bonds (distance) C4'-P energy: -137.389 bonds (distance) P-C4' energy: -128.490 flat angles C4'-P-C4' energy: -151.733 flat angles P-C4'-P energy: -104.452 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: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2402.671303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.671303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.671303 (E_RNA) where: Base-Base interactions energy: -1690.179 where: short stacking energy: -691.219 Base-Backbone interact. energy: -4.267 local terms energy: -708.225666 where: bonds (distance) C4'-P energy: -132.027 bonds (distance) P-C4' energy: -134.692 flat angles C4'-P-C4' energy: -148.967 flat angles P-C4'-P energy: -92.838 tors. eta vs tors. theta energy: -199.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2339.686685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.686685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.686685 (E_RNA) where: Base-Base interactions energy: -1695.194 where: short stacking energy: -680.746 Base-Backbone interact. energy: -2.421 local terms energy: -642.072097 where: bonds (distance) C4'-P energy: -103.163 bonds (distance) P-C4' energy: -118.995 flat angles C4'-P-C4' energy: -118.531 flat angles P-C4'-P energy: -95.488 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: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2097.457403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.457403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.457403 (E_RNA) where: Base-Base interactions energy: -1483.736 where: short stacking energy: -611.918 Base-Backbone interact. energy: -3.309 local terms energy: -610.412393 where: bonds (distance) C4'-P energy: -104.559 bonds (distance) P-C4' energy: -108.644 flat angles C4'-P-C4' energy: -141.675 flat angles P-C4'-P energy: -74.853 tors. eta vs tors. theta energy: -180.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2006.255317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.255317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.255317 (E_RNA) where: Base-Base interactions energy: -1383.463 where: short stacking energy: -586.688 Base-Backbone interact. energy: -3.490 local terms energy: -619.303207 where: bonds (distance) C4'-P energy: -98.998 bonds (distance) P-C4' energy: -120.755 flat angles C4'-P-C4' energy: -133.820 flat angles P-C4'-P energy: -96.051 tors. eta vs tors. theta energy: -169.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1999.873348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.873348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.873348 (E_RNA) where: Base-Base interactions energy: -1391.674 where: short stacking energy: -573.659 Base-Backbone interact. energy: -0.517 local terms energy: -607.682423 where: bonds (distance) C4'-P energy: -109.380 bonds (distance) P-C4' energy: -110.861 flat angles C4'-P-C4' energy: -123.084 flat angles P-C4'-P energy: -85.765 tors. eta vs tors. theta energy: -178.593 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: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1253.019532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.019532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.019532 (E_RNA) where: Base-Base interactions energy: -825.377 where: short stacking energy: -385.608 Base-Backbone interact. energy: 0.466 local terms energy: -428.109524 where: bonds (distance) C4'-P energy: -85.203 bonds (distance) P-C4' energy: -106.011 flat angles C4'-P-C4' energy: -110.218 flat angles P-C4'-P energy: -62.865 tors. eta vs tors. theta energy: -63.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1109.366536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.366536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.366536 (E_RNA) where: Base-Base interactions energy: -682.477 where: short stacking energy: -314.113 Base-Backbone interact. energy: 5.646 local terms energy: -432.535791 where: bonds (distance) C4'-P energy: -120.392 bonds (distance) P-C4' energy: -116.053 flat angles C4'-P-C4' energy: -99.736 flat angles P-C4'-P energy: -51.465 tors. eta vs tors. theta energy: -44.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2594.110360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.110360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.110360 (E_RNA) where: Base-Base interactions energy: -1831.174 where: short stacking energy: -764.162 Base-Backbone interact. energy: -0.921 local terms energy: -762.014892 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -144.200 flat angles C4'-P-C4' energy: -158.641 flat angles P-C4'-P energy: -107.085 tors. eta vs tors. theta energy: -229.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2520.296961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.296961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.296961 (E_RNA) where: Base-Base interactions energy: -1803.076 where: short stacking energy: -723.720 Base-Backbone interact. energy: 2.576 local terms energy: -719.796663 where: bonds (distance) C4'-P energy: -120.781 bonds (distance) P-C4' energy: -129.234 flat angles C4'-P-C4' energy: -161.596 flat angles P-C4'-P energy: -98.270 tors. eta vs tors. theta energy: -209.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2467.481901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.481901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.481901 (E_RNA) where: Base-Base interactions energy: -1719.823 where: short stacking energy: -724.387 Base-Backbone interact. energy: 0.998 local terms energy: -748.656903 where: bonds (distance) C4'-P energy: -114.994 bonds (distance) P-C4' energy: -134.906 flat angles C4'-P-C4' energy: -159.447 flat angles P-C4'-P energy: -111.688 tors. eta vs tors. theta energy: -227.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2401.953443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.953443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.953443 (E_RNA) where: Base-Base interactions energy: -1694.112 where: short stacking energy: -675.489 Base-Backbone interact. energy: 1.118 local terms energy: -708.959497 where: bonds (distance) C4'-P energy: -131.539 bonds (distance) P-C4' energy: -126.767 flat angles C4'-P-C4' energy: -154.650 flat angles P-C4'-P energy: -96.064 tors. eta vs tors. theta energy: -199.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2360.591793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.591793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.591793 (E_RNA) where: Base-Base interactions energy: -1691.418 where: short stacking energy: -675.170 Base-Backbone interact. energy: -2.721 local terms energy: -666.453714 where: bonds (distance) C4'-P energy: -100.156 bonds (distance) P-C4' energy: -126.950 flat angles C4'-P-C4' energy: -133.252 flat angles P-C4'-P energy: -96.347 tors. eta vs tors. theta energy: -209.748 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: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2113.248610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.248610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.248610 (E_RNA) where: Base-Base interactions energy: -1478.400 where: short stacking energy: -605.368 Base-Backbone interact. energy: -1.540 local terms energy: -633.308733 where: bonds (distance) C4'-P energy: -106.599 bonds (distance) P-C4' energy: -106.462 flat angles C4'-P-C4' energy: -143.876 flat angles P-C4'-P energy: -106.426 tors. eta vs tors. theta energy: -169.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1962.677731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.677731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.677731 (E_RNA) where: Base-Base interactions energy: -1384.243 where: short stacking energy: -596.954 Base-Backbone interact. energy: -0.596 local terms energy: -577.838456 where: bonds (distance) C4'-P energy: -104.364 bonds (distance) P-C4' energy: -109.632 flat angles C4'-P-C4' energy: -127.644 flat angles P-C4'-P energy: -74.979 tors. eta vs tors. theta energy: -161.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2024.353362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.353362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.353362 (E_RNA) where: Base-Base interactions energy: -1452.996 where: short stacking energy: -581.621 Base-Backbone interact. energy: 0.028 local terms energy: -571.384893 where: bonds (distance) C4'-P energy: -108.557 bonds (distance) P-C4' energy: -112.299 flat angles C4'-P-C4' energy: -126.641 flat angles P-C4'-P energy: -56.497 tors. eta vs tors. theta energy: -167.391 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: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1271.478274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.478274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.478274 (E_RNA) where: Base-Base interactions energy: -816.303 where: short stacking energy: -369.989 Base-Backbone interact. energy: -2.448 local terms energy: -452.727938 where: bonds (distance) C4'-P energy: -101.134 bonds (distance) P-C4' energy: -109.682 flat angles C4'-P-C4' energy: -102.842 flat angles P-C4'-P energy: -66.780 tors. eta vs tors. theta energy: -72.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1045.074089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.074089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.074089 (E_RNA) where: Base-Base interactions energy: -619.862 where: short stacking energy: -277.969 Base-Backbone interact. energy: -0.850 local terms energy: -424.362766 where: bonds (distance) C4'-P energy: -119.090 bonds (distance) P-C4' energy: -114.096 flat angles C4'-P-C4' energy: -108.395 flat angles P-C4'-P energy: -58.563 tors. eta vs tors. theta energy: -24.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2591.616424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.616424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.616424 (E_RNA) where: Base-Base interactions energy: -1833.950 where: short stacking energy: -757.004 Base-Backbone interact. energy: -1.235 local terms energy: -756.430570 where: bonds (distance) C4'-P energy: -137.879 bonds (distance) P-C4' energy: -131.359 flat angles C4'-P-C4' energy: -150.776 flat angles P-C4'-P energy: -112.939 tors. eta vs tors. theta energy: -223.477 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: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2533.329889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.329889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.329889 (E_RNA) where: Base-Base interactions energy: -1795.861 where: short stacking energy: -730.381 Base-Backbone interact. energy: -1.477 local terms energy: -735.991316 where: bonds (distance) C4'-P energy: -131.996 bonds (distance) P-C4' energy: -128.790 flat angles C4'-P-C4' energy: -151.026 flat angles P-C4'-P energy: -115.200 tors. eta vs tors. theta energy: -208.979 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: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2494.033767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.033767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.033767 (E_RNA) where: Base-Base interactions energy: -1770.516 where: short stacking energy: -727.000 Base-Backbone interact. energy: -0.526 local terms energy: -722.992065 where: bonds (distance) C4'-P energy: -122.677 bonds (distance) P-C4' energy: -109.577 flat angles C4'-P-C4' energy: -151.635 flat angles P-C4'-P energy: -110.117 tors. eta vs tors. theta energy: -228.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2456.247600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.247600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.247600 (E_RNA) where: Base-Base interactions energy: -1775.855 where: short stacking energy: -729.826 Base-Backbone interact. energy: -2.382 local terms energy: -678.010276 where: bonds (distance) C4'-P energy: -109.198 bonds (distance) P-C4' energy: -118.849 flat angles C4'-P-C4' energy: -146.143 flat angles P-C4'-P energy: -92.202 tors. eta vs tors. theta energy: -211.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2390.663707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.663707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.663707 (E_RNA) where: Base-Base interactions energy: -1701.916 where: short stacking energy: -693.493 Base-Backbone interact. energy: -3.443 local terms energy: -685.304501 where: bonds (distance) C4'-P energy: -131.993 bonds (distance) P-C4' energy: -88.785 flat angles C4'-P-C4' energy: -153.235 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -220.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2148.843253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.843253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.843253 (E_RNA) where: Base-Base interactions energy: -1507.861 where: short stacking energy: -608.660 Base-Backbone interact. energy: -2.117 local terms energy: -638.866005 where: bonds (distance) C4'-P energy: -109.325 bonds (distance) P-C4' energy: -108.244 flat angles C4'-P-C4' energy: -148.713 flat angles P-C4'-P energy: -87.518 tors. eta vs tors. theta energy: -185.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1994.506672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.506672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.506672 (E_RNA) where: Base-Base interactions energy: -1415.802 where: short stacking energy: -587.029 Base-Backbone interact. energy: 0.110 local terms energy: -578.814294 where: bonds (distance) C4'-P energy: -110.114 bonds (distance) P-C4' energy: -102.641 flat angles C4'-P-C4' energy: -143.308 flat angles P-C4'-P energy: -74.485 tors. eta vs tors. theta energy: -148.266 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: 257 Temperature: 1.250000 Total energy: -2052.089040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.089040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.089040 (E_RNA) where: Base-Base interactions energy: -1464.134 where: short stacking energy: -593.772 Base-Backbone interact. energy: 3.479 local terms energy: -591.433557 where: bonds (distance) C4'-P energy: -111.811 bonds (distance) P-C4' energy: -93.931 flat angles C4'-P-C4' energy: -127.120 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -183.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1259.514367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.514367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.514367 (E_RNA) where: Base-Base interactions energy: -796.599 where: short stacking energy: -351.934 Base-Backbone interact. energy: -0.713 local terms energy: -462.202633 where: bonds (distance) C4'-P energy: -125.221 bonds (distance) P-C4' energy: -112.956 flat angles C4'-P-C4' energy: -108.914 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -62.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1083.678492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.678492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.678492 (E_RNA) where: Base-Base interactions energy: -660.539 where: short stacking energy: -307.543 Base-Backbone interact. energy: 3.012 local terms energy: -426.151587 where: bonds (distance) C4'-P energy: -105.862 bonds (distance) P-C4' energy: -129.582 flat angles C4'-P-C4' energy: -91.420 flat angles P-C4'-P energy: -60.750 tors. eta vs tors. theta energy: -38.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2609.761867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.761867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.761867 (E_RNA) where: Base-Base interactions energy: -1854.286 where: short stacking energy: -745.366 Base-Backbone interact. energy: -2.529 local terms energy: -752.947198 where: bonds (distance) C4'-P energy: -134.909 bonds (distance) P-C4' energy: -131.886 flat angles C4'-P-C4' energy: -155.269 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -222.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2541.814034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.814034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.814034 (E_RNA) where: Base-Base interactions energy: -1804.128 where: short stacking energy: -726.371 Base-Backbone interact. energy: -1.016 local terms energy: -736.670015 where: bonds (distance) C4'-P energy: -132.279 bonds (distance) P-C4' energy: -137.472 flat angles C4'-P-C4' energy: -157.525 flat angles P-C4'-P energy: -100.112 tors. eta vs tors. theta energy: -209.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2515.115019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.115019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.115019 (E_RNA) where: Base-Base interactions energy: -1800.081 where: short stacking energy: -720.523 Base-Backbone interact. energy: -4.301 local terms energy: -710.732929 where: bonds (distance) C4'-P energy: -111.735 bonds (distance) P-C4' energy: -120.846 flat angles C4'-P-C4' energy: -152.634 flat angles P-C4'-P energy: -106.302 tors. eta vs tors. theta energy: -219.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2425.042149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.042149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.042149 (E_RNA) where: Base-Base interactions energy: -1713.192 where: short stacking energy: -701.621 Base-Backbone interact. energy: 0.657 local terms energy: -712.506613 where: bonds (distance) C4'-P energy: -119.012 bonds (distance) P-C4' energy: -126.271 flat angles C4'-P-C4' energy: -148.301 flat angles P-C4'-P energy: -100.114 tors. eta vs tors. theta energy: -218.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2346.874566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.874566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.874566 (E_RNA) where: Base-Base interactions energy: -1663.276 where: short stacking energy: -685.577 Base-Backbone interact. energy: 1.632 local terms energy: -685.230683 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -117.001 flat angles C4'-P-C4' energy: -139.652 flat angles P-C4'-P energy: -94.632 tors. eta vs tors. theta energy: -216.238 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: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2110.543112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.543112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.543112 (E_RNA) where: Base-Base interactions energy: -1517.922 where: short stacking energy: -600.956 Base-Backbone interact. energy: 4.737 local terms energy: -597.357532 where: bonds (distance) C4'-P energy: -99.509 bonds (distance) P-C4' energy: -125.759 flat angles C4'-P-C4' energy: -128.541 flat angles P-C4'-P energy: -83.619 tors. eta vs tors. theta energy: -159.929 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: 2 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1986.701075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.701075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.701075 (E_RNA) where: Base-Base interactions energy: -1377.259 where: short stacking energy: -558.208 Base-Backbone interact. energy: -1.140 local terms energy: -608.302665 where: bonds (distance) C4'-P energy: -105.609 bonds (distance) P-C4' energy: -123.367 flat angles C4'-P-C4' energy: -130.987 flat angles P-C4'-P energy: -85.315 tors. eta vs tors. theta energy: -163.024 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: 258 Temperature: 1.250000 Total energy: -1913.425018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.425018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.425018 (E_RNA) where: Base-Base interactions energy: -1325.439 where: short stacking energy: -572.774 Base-Backbone interact. energy: -0.682 local terms energy: -587.303501 where: bonds (distance) C4'-P energy: -105.020 bonds (distance) P-C4' energy: -100.192 flat angles C4'-P-C4' energy: -124.529 flat angles P-C4'-P energy: -91.181 tors. eta vs tors. theta energy: -166.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1333.862059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.862059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.862059 (E_RNA) where: Base-Base interactions energy: -861.689 where: short stacking energy: -390.473 Base-Backbone interact. energy: 0.447 local terms energy: -472.619993 where: bonds (distance) C4'-P energy: -115.443 bonds (distance) P-C4' energy: -111.095 flat angles C4'-P-C4' energy: -111.924 flat angles P-C4'-P energy: -66.919 tors. eta vs tors. theta energy: -67.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1048.561503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.561503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.561503 (E_RNA) where: Base-Base interactions energy: -670.620 where: short stacking energy: -272.759 Base-Backbone interact. energy: -0.346 local terms energy: -377.596142 where: bonds (distance) C4'-P energy: -72.382 bonds (distance) P-C4' energy: -106.490 flat angles C4'-P-C4' energy: -102.084 flat angles P-C4'-P energy: -66.649 tors. eta vs tors. theta energy: -29.992 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: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2617.482531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.482531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.482531 (E_RNA) where: Base-Base interactions energy: -1884.169 where: short stacking energy: -744.583 Base-Backbone interact. energy: -0.891 local terms energy: -732.421883 where: bonds (distance) C4'-P energy: -133.999 bonds (distance) P-C4' energy: -128.151 flat angles C4'-P-C4' energy: -154.679 flat angles P-C4'-P energy: -100.463 tors. eta vs tors. theta energy: -215.129 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: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2541.062556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.062556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.062556 (E_RNA) where: Base-Base interactions energy: -1799.211 where: short stacking energy: -708.783 Base-Backbone interact. energy: -0.728 local terms energy: -741.122787 where: bonds (distance) C4'-P energy: -124.352 bonds (distance) P-C4' energy: -133.583 flat angles C4'-P-C4' energy: -152.779 flat angles P-C4'-P energy: -115.183 tors. eta vs tors. theta energy: -215.225 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: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2520.963357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.963357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.963357 (E_RNA) where: Base-Base interactions energy: -1785.134 where: short stacking energy: -727.115 Base-Backbone interact. energy: -2.653 local terms energy: -733.177027 where: bonds (distance) C4'-P energy: -113.714 bonds (distance) P-C4' energy: -133.263 flat angles C4'-P-C4' energy: -155.290 flat angles P-C4'-P energy: -109.199 tors. eta vs tors. theta energy: -221.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2449.086941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.086941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.086941 (E_RNA) where: Base-Base interactions energy: -1757.221 where: short stacking energy: -707.215 Base-Backbone interact. energy: 0.779 local terms energy: -692.644946 where: bonds (distance) C4'-P energy: -123.335 bonds (distance) P-C4' energy: -114.356 flat angles C4'-P-C4' energy: -137.248 flat angles P-C4'-P energy: -95.371 tors. eta vs tors. theta energy: -222.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2368.649117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.649117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.649117 (E_RNA) where: Base-Base interactions energy: -1678.429 where: short stacking energy: -682.112 Base-Backbone interact. energy: 0.920 local terms energy: -691.140205 where: bonds (distance) C4'-P energy: -127.230 bonds (distance) P-C4' energy: -105.211 flat angles C4'-P-C4' energy: -137.733 flat angles P-C4'-P energy: -103.162 tors. eta vs tors. theta energy: -217.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2150.900251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.900251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.900251 (E_RNA) where: Base-Base interactions energy: -1537.733 where: short stacking energy: -630.766 Base-Backbone interact. energy: 0.200 local terms energy: -613.367506 where: bonds (distance) C4'-P energy: -108.504 bonds (distance) P-C4' energy: -99.078 flat angles C4'-P-C4' energy: -142.874 flat angles P-C4'-P energy: -97.018 tors. eta vs tors. theta energy: -165.893 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: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2011.327539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.327539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.327539 (E_RNA) where: Base-Base interactions energy: -1396.447 where: short stacking energy: -590.202 Base-Backbone interact. energy: 1.151 local terms energy: -616.031484 where: bonds (distance) C4'-P energy: -101.715 bonds (distance) P-C4' energy: -105.079 flat angles C4'-P-C4' energy: -144.283 flat angles P-C4'-P energy: -95.252 tors. eta vs tors. theta energy: -169.703 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: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1979.138528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.138528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.138528 (E_RNA) where: Base-Base interactions energy: -1361.102 where: short stacking energy: -550.583 Base-Backbone interact. energy: 0.100 local terms energy: -618.136558 where: bonds (distance) C4'-P energy: -107.384 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -143.179 flat angles P-C4'-P energy: -79.074 tors. eta vs tors. theta energy: -166.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1313.677313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.677313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.677313 (E_RNA) where: Base-Base interactions energy: -837.059 where: short stacking energy: -361.949 Base-Backbone interact. energy: 3.386 local terms energy: -480.004282 where: bonds (distance) C4'-P energy: -103.188 bonds (distance) P-C4' energy: -119.423 flat angles C4'-P-C4' energy: -124.030 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -69.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1046.297864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.297864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.297864 (E_RNA) where: Base-Base interactions energy: -675.261 where: short stacking energy: -266.389 Base-Backbone interact. energy: -0.569 local terms energy: -370.468350 where: bonds (distance) C4'-P energy: -99.066 bonds (distance) P-C4' energy: -98.501 flat angles C4'-P-C4' energy: -103.470 flat angles P-C4'-P energy: -35.176 tors. eta vs tors. theta energy: -34.255 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: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2615.187802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.187802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.187802 (E_RNA) where: Base-Base interactions energy: -1861.931 where: short stacking energy: -763.517 Base-Backbone interact. energy: 2.233 local terms energy: -755.490390 where: bonds (distance) C4'-P energy: -131.599 bonds (distance) P-C4' energy: -128.647 flat angles C4'-P-C4' energy: -160.132 flat angles P-C4'-P energy: -116.520 tors. eta vs tors. theta energy: -218.592 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: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2544.033960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.033960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.033960 (E_RNA) where: Base-Base interactions energy: -1819.993 where: short stacking energy: -729.587 Base-Backbone interact. energy: 2.541 local terms energy: -726.581401 where: bonds (distance) C4'-P energy: -126.424 bonds (distance) P-C4' energy: -116.991 flat angles C4'-P-C4' energy: -161.009 flat angles P-C4'-P energy: -104.135 tors. eta vs tors. theta energy: -218.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2484.431794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.431794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.431794 (E_RNA) where: Base-Base interactions energy: -1759.392 where: short stacking energy: -718.799 Base-Backbone interact. energy: -1.849 local terms energy: -723.191144 where: bonds (distance) C4'-P energy: -111.424 bonds (distance) P-C4' energy: -132.533 flat angles C4'-P-C4' energy: -162.224 flat angles P-C4'-P energy: -102.255 tors. eta vs tors. theta energy: -214.754 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: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2475.846511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.846511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.846511 (E_RNA) where: Base-Base interactions energy: -1785.999 where: short stacking energy: -721.529 Base-Backbone interact. energy: -1.034 local terms energy: -688.814036 where: bonds (distance) C4'-P energy: -119.313 bonds (distance) P-C4' energy: -115.362 flat angles C4'-P-C4' energy: -152.212 flat angles P-C4'-P energy: -91.106 tors. eta vs tors. theta energy: -210.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2359.746310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.746310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.746310 (E_RNA) where: Base-Base interactions energy: -1649.982 where: short stacking energy: -688.391 Base-Backbone interact. energy: 2.583 local terms energy: -712.347409 where: bonds (distance) C4'-P energy: -126.718 bonds (distance) P-C4' energy: -120.803 flat angles C4'-P-C4' energy: -141.840 flat angles P-C4'-P energy: -108.707 tors. eta vs tors. theta energy: -214.279 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: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2176.140899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.140899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.140899 (E_RNA) where: Base-Base interactions energy: -1517.044 where: short stacking energy: -617.330 Base-Backbone interact. energy: -1.803 local terms energy: -657.294640 where: bonds (distance) C4'-P energy: -118.482 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -135.886 flat angles P-C4'-P energy: -103.910 tors. eta vs tors. theta energy: -183.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1970.963436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.963436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.963436 (E_RNA) where: Base-Base interactions energy: -1368.424 where: short stacking energy: -587.168 Base-Backbone interact. energy: -2.917 local terms energy: -599.622521 where: bonds (distance) C4'-P energy: -105.165 bonds (distance) P-C4' energy: -113.372 flat angles C4'-P-C4' energy: -144.616 flat angles P-C4'-P energy: -69.099 tors. eta vs tors. theta energy: -167.371 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: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1957.183630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.183630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.183630 (E_RNA) where: Base-Base interactions energy: -1376.316 where: short stacking energy: -570.708 Base-Backbone interact. energy: 1.249 local terms energy: -582.117064 where: bonds (distance) C4'-P energy: -98.273 bonds (distance) P-C4' energy: -108.894 flat angles C4'-P-C4' energy: -124.834 flat angles P-C4'-P energy: -75.420 tors. eta vs tors. theta energy: -174.696 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: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1329.487946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.487946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.487946 (E_RNA) where: Base-Base interactions energy: -847.857 where: short stacking energy: -393.395 Base-Backbone interact. energy: 7.535 local terms energy: -489.166276 where: bonds (distance) C4'-P energy: -112.734 bonds (distance) P-C4' energy: -118.429 flat angles C4'-P-C4' energy: -101.687 flat angles P-C4'-P energy: -82.321 tors. eta vs tors. theta energy: -73.994 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: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1037.772388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.772388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.772388 (E_RNA) where: Base-Base interactions energy: -657.731 where: short stacking energy: -302.214 Base-Backbone interact. energy: -0.061 local terms energy: -379.980040 where: bonds (distance) C4'-P energy: -93.418 bonds (distance) P-C4' energy: -112.268 flat angles C4'-P-C4' energy: -101.651 flat angles P-C4'-P energy: -49.965 tors. eta vs tors. theta energy: -22.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2642.982110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.982110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.982110 (E_RNA) where: Base-Base interactions energy: -1876.052 where: short stacking energy: -757.698 Base-Backbone interact. energy: -1.430 local terms energy: -765.500017 where: bonds (distance) C4'-P energy: -128.098 bonds (distance) P-C4' energy: -139.525 flat angles C4'-P-C4' energy: -165.782 flat angles P-C4'-P energy: -118.931 tors. eta vs tors. theta energy: -213.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2523.932580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.932580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.932580 (E_RNA) where: Base-Base interactions energy: -1809.956 where: short stacking energy: -727.301 Base-Backbone interact. energy: -0.433 local terms energy: -713.542820 where: bonds (distance) C4'-P energy: -116.636 bonds (distance) P-C4' energy: -126.677 flat angles C4'-P-C4' energy: -159.829 flat angles P-C4'-P energy: -92.286 tors. eta vs tors. theta energy: -218.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2499.051102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.051102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.051102 (E_RNA) where: Base-Base interactions energy: -1776.106 where: short stacking energy: -736.484 Base-Backbone interact. energy: -2.463 local terms energy: -720.482690 where: bonds (distance) C4'-P energy: -130.548 bonds (distance) P-C4' energy: -115.840 flat angles C4'-P-C4' energy: -150.367 flat angles P-C4'-P energy: -105.604 tors. eta vs tors. theta energy: -218.123 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: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2424.450183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.450183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.450183 (E_RNA) where: Base-Base interactions energy: -1725.442 where: short stacking energy: -709.460 Base-Backbone interact. energy: -2.126 local terms energy: -696.882233 where: bonds (distance) C4'-P energy: -118.276 bonds (distance) P-C4' energy: -136.691 flat angles C4'-P-C4' energy: -142.312 flat angles P-C4'-P energy: -95.600 tors. eta vs tors. theta energy: -204.003 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: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2354.953912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.953912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.953912 (E_RNA) where: Base-Base interactions energy: -1670.502 where: short stacking energy: -691.851 Base-Backbone interact. energy: 1.498 local terms energy: -685.949758 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -124.554 flat angles C4'-P-C4' energy: -148.137 flat angles P-C4'-P energy: -84.295 tors. eta vs tors. theta energy: -219.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2274.033898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.033898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.033898 (E_RNA) where: Base-Base interactions energy: -1632.516 where: short stacking energy: -656.847 Base-Backbone interact. energy: -3.975 local terms energy: -637.543146 where: bonds (distance) C4'-P energy: -116.881 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -143.723 flat angles P-C4'-P energy: -90.818 tors. eta vs tors. theta energy: -185.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1973.436262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.436262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.436262 (E_RNA) where: Base-Base interactions energy: -1402.862 where: short stacking energy: -593.828 Base-Backbone interact. energy: -1.517 local terms energy: -569.057114 where: bonds (distance) C4'-P energy: -97.919 bonds (distance) P-C4' energy: -108.031 flat angles C4'-P-C4' energy: -114.385 flat angles P-C4'-P energy: -83.065 tors. eta vs tors. theta energy: -165.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1982.694156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.694156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.694156 (E_RNA) where: Base-Base interactions energy: -1400.443 where: short stacking energy: -568.095 Base-Backbone interact. energy: 0.834 local terms energy: -583.084969 where: bonds (distance) C4'-P energy: -100.360 bonds (distance) P-C4' energy: -112.841 flat angles C4'-P-C4' energy: -135.434 flat angles P-C4'-P energy: -75.609 tors. eta vs tors. theta energy: -158.841 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: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1342.560989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.560989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.560989 (E_RNA) where: Base-Base interactions energy: -892.989 where: short stacking energy: -394.508 Base-Backbone interact. energy: 0.108 local terms energy: -449.680760 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -105.776 flat angles P-C4'-P energy: -84.832 tors. eta vs tors. theta energy: -74.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1030.868194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.868194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.868194 (E_RNA) where: Base-Base interactions energy: -645.460 where: short stacking energy: -301.464 Base-Backbone interact. energy: -1.635 local terms energy: -383.773495 where: bonds (distance) C4'-P energy: -117.483 bonds (distance) P-C4' energy: -99.531 flat angles C4'-P-C4' energy: -87.553 flat angles P-C4'-P energy: -45.392 tors. eta vs tors. theta energy: -33.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2594.461111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.461111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.461111 (E_RNA) where: Base-Base interactions energy: -1839.757 where: short stacking energy: -750.212 Base-Backbone interact. energy: -1.602 local terms energy: -753.102044 where: bonds (distance) C4'-P energy: -136.805 bonds (distance) P-C4' energy: -133.236 flat angles C4'-P-C4' energy: -163.815 flat angles P-C4'-P energy: -110.602 tors. eta vs tors. theta energy: -208.645 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: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2554.544716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.544716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.544716 (E_RNA) where: Base-Base interactions energy: -1827.512 where: short stacking energy: -730.411 Base-Backbone interact. energy: -1.829 local terms energy: -725.203489 where: bonds (distance) C4'-P energy: -127.528 bonds (distance) P-C4' energy: -113.642 flat angles C4'-P-C4' energy: -157.269 flat angles P-C4'-P energy: -113.225 tors. eta vs tors. theta energy: -213.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2510.882099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.882099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.882099 (E_RNA) where: Base-Base interactions energy: -1802.971 where: short stacking energy: -714.974 Base-Backbone interact. energy: -0.296 local terms energy: -707.615514 where: bonds (distance) C4'-P energy: -121.126 bonds (distance) P-C4' energy: -121.736 flat angles C4'-P-C4' energy: -146.717 flat angles P-C4'-P energy: -91.519 tors. eta vs tors. theta energy: -226.517 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: 262 Temperature: 1.050000 Total energy: -2443.503283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.503283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.503283 (E_RNA) where: Base-Base interactions energy: -1738.486 where: short stacking energy: -706.554 Base-Backbone interact. energy: -3.021 local terms energy: -701.996090 where: bonds (distance) C4'-P energy: -116.038 bonds (distance) P-C4' energy: -124.092 flat angles C4'-P-C4' energy: -157.060 flat angles P-C4'-P energy: -100.546 tors. eta vs tors. theta energy: -204.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2367.807357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.807357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.807357 (E_RNA) where: Base-Base interactions energy: -1651.646 where: short stacking energy: -682.424 Base-Backbone interact. energy: -1.352 local terms energy: -714.808687 where: bonds (distance) C4'-P energy: -140.358 bonds (distance) P-C4' energy: -110.729 flat angles C4'-P-C4' energy: -151.885 flat angles P-C4'-P energy: -103.418 tors. eta vs tors. theta energy: -208.418 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: 9 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2180.198891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.198891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.198891 (E_RNA) where: Base-Base interactions energy: -1545.848 where: short stacking energy: -625.212 Base-Backbone interact. energy: 1.646 local terms energy: -635.996964 where: bonds (distance) C4'-P energy: -110.822 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -132.948 flat angles P-C4'-P energy: -95.414 tors. eta vs tors. theta energy: -171.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2021.882720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.882720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.882720 (E_RNA) where: Base-Base interactions energy: -1388.029 where: short stacking energy: -545.453 Base-Backbone interact. energy: -0.789 local terms energy: -633.064448 where: bonds (distance) C4'-P energy: -133.925 bonds (distance) P-C4' energy: -121.965 flat angles C4'-P-C4' energy: -124.019 flat angles P-C4'-P energy: -87.518 tors. eta vs tors. theta energy: -165.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1959.144665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.144665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.144665 (E_RNA) where: Base-Base interactions energy: -1359.010 where: short stacking energy: -571.051 Base-Backbone interact. energy: -0.458 local terms energy: -599.677206 where: bonds (distance) C4'-P energy: -109.120 bonds (distance) P-C4' energy: -112.412 flat angles C4'-P-C4' energy: -127.759 flat angles P-C4'-P energy: -84.681 tors. eta vs tors. theta energy: -165.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1335.031292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.031292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.031292 (E_RNA) where: Base-Base interactions energy: -869.079 where: short stacking energy: -375.954 Base-Backbone interact. energy: -0.901 local terms energy: -465.051780 where: bonds (distance) C4'-P energy: -111.570 bonds (distance) P-C4' energy: -97.635 flat angles C4'-P-C4' energy: -122.064 flat angles P-C4'-P energy: -63.857 tors. eta vs tors. theta energy: -69.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1087.162778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.162778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.162778 (E_RNA) where: Base-Base interactions energy: -670.670 where: short stacking energy: -311.122 Base-Backbone interact. energy: 1.673 local terms energy: -418.165550 where: bonds (distance) C4'-P energy: -102.775 bonds (distance) P-C4' energy: -116.535 flat angles C4'-P-C4' energy: -91.618 flat angles P-C4'-P energy: -65.041 tors. eta vs tors. theta energy: -42.197 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: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2621.529445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.529445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.529445 (E_RNA) where: Base-Base interactions energy: -1869.868 where: short stacking energy: -756.616 Base-Backbone interact. energy: -1.215 local terms energy: -750.446273 where: bonds (distance) C4'-P energy: -132.117 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -151.366 flat angles P-C4'-P energy: -111.622 tors. eta vs tors. theta energy: -220.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2540.002452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.002452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.002452 (E_RNA) where: Base-Base interactions energy: -1796.634 where: short stacking energy: -713.821 Base-Backbone interact. energy: -2.640 local terms energy: -740.729133 where: bonds (distance) C4'-P energy: -115.424 bonds (distance) P-C4' energy: -133.997 flat angles C4'-P-C4' energy: -155.717 flat angles P-C4'-P energy: -112.588 tors. eta vs tors. theta energy: -223.002 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: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2486.440110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.440110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.440110 (E_RNA) where: Base-Base interactions energy: -1756.481 where: short stacking energy: -716.306 Base-Backbone interact. energy: -1.170 local terms energy: -728.788695 where: bonds (distance) C4'-P energy: -128.139 bonds (distance) P-C4' energy: -131.069 flat angles C4'-P-C4' energy: -151.383 flat angles P-C4'-P energy: -97.508 tors. eta vs tors. theta energy: -220.689 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: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2465.110214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.110214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.110214 (E_RNA) where: Base-Base interactions energy: -1762.329 where: short stacking energy: -704.996 Base-Backbone interact. energy: 3.225 local terms energy: -706.005669 where: bonds (distance) C4'-P energy: -127.227 bonds (distance) P-C4' energy: -111.202 flat angles C4'-P-C4' energy: -161.224 flat angles P-C4'-P energy: -93.074 tors. eta vs tors. theta energy: -213.278 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: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2349.853715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.853715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.853715 (E_RNA) where: Base-Base interactions energy: -1657.905 where: short stacking energy: -675.140 Base-Backbone interact. energy: -0.913 local terms energy: -691.035894 where: bonds (distance) C4'-P energy: -118.974 bonds (distance) P-C4' energy: -117.760 flat angles C4'-P-C4' energy: -146.260 flat angles P-C4'-P energy: -99.526 tors. eta vs tors. theta energy: -208.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2139.100005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.100005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.100005 (E_RNA) where: Base-Base interactions energy: -1480.512 where: short stacking energy: -603.342 Base-Backbone interact. energy: 2.206 local terms energy: -660.793614 where: bonds (distance) C4'-P energy: -117.966 bonds (distance) P-C4' energy: -132.129 flat angles C4'-P-C4' energy: -136.672 flat angles P-C4'-P energy: -96.285 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: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2017.216134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.216134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.216134 (E_RNA) where: Base-Base interactions energy: -1443.436 where: short stacking energy: -613.041 Base-Backbone interact. energy: -0.791 local terms energy: -572.989286 where: bonds (distance) C4'-P energy: -104.358 bonds (distance) P-C4' energy: -96.274 flat angles C4'-P-C4' energy: -123.920 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -168.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -2009.984456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.984456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.984456 (E_RNA) where: Base-Base interactions energy: -1418.811 where: short stacking energy: -588.962 Base-Backbone interact. energy: 4.574 local terms energy: -595.748137 where: bonds (distance) C4'-P energy: -102.475 bonds (distance) P-C4' energy: -118.107 flat angles C4'-P-C4' energy: -125.723 flat angles P-C4'-P energy: -78.242 tors. eta vs tors. theta energy: -171.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1329.502566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.502566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.502566 (E_RNA) where: Base-Base interactions energy: -875.890 where: short stacking energy: -387.272 Base-Backbone interact. energy: -0.267 local terms energy: -453.345476 where: bonds (distance) C4'-P energy: -112.099 bonds (distance) P-C4' energy: -89.369 flat angles C4'-P-C4' energy: -104.222 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -73.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1098.527764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.527764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.527764 (E_RNA) where: Base-Base interactions energy: -692.045 where: short stacking energy: -315.802 Base-Backbone interact. energy: 5.521 local terms energy: -412.003236 where: bonds (distance) C4'-P energy: -95.651 bonds (distance) P-C4' energy: -108.843 flat angles C4'-P-C4' energy: -101.957 flat angles P-C4'-P energy: -53.458 tors. eta vs tors. theta energy: -52.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2603.957350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.957350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.957350 (E_RNA) where: Base-Base interactions energy: -1864.138 where: short stacking energy: -750.181 Base-Backbone interact. energy: 0.673 local terms energy: -740.492723 where: bonds (distance) C4'-P energy: -134.274 bonds (distance) P-C4' energy: -140.700 flat angles C4'-P-C4' energy: -152.398 flat angles P-C4'-P energy: -104.006 tors. eta vs tors. theta energy: -209.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2554.496096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.496096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.496096 (E_RNA) where: Base-Base interactions energy: -1823.550 where: short stacking energy: -732.097 Base-Backbone interact. energy: 4.735 local terms energy: -735.680988 where: bonds (distance) C4'-P energy: -120.515 bonds (distance) P-C4' energy: -136.556 flat angles C4'-P-C4' energy: -153.471 flat angles P-C4'-P energy: -110.699 tors. eta vs tors. theta energy: -214.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2523.275827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.275827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.275827 (E_RNA) where: Base-Base interactions energy: -1778.534 where: short stacking energy: -742.556 Base-Backbone interact. energy: -1.182 local terms energy: -743.560441 where: bonds (distance) C4'-P energy: -125.395 bonds (distance) P-C4' energy: -125.163 flat angles C4'-P-C4' energy: -155.931 flat angles P-C4'-P energy: -105.171 tors. eta vs tors. theta energy: -231.901 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: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2484.936032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.936032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.936032 (E_RNA) where: Base-Base interactions energy: -1768.608 where: short stacking energy: -720.350 Base-Backbone interact. energy: -0.603 local terms energy: -715.724366 where: bonds (distance) C4'-P energy: -127.656 bonds (distance) P-C4' energy: -114.851 flat angles C4'-P-C4' energy: -153.987 flat angles P-C4'-P energy: -110.768 tors. eta vs tors. theta energy: -208.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2328.775687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.775687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.775687 (E_RNA) where: Base-Base interactions energy: -1662.547 where: short stacking energy: -697.794 Base-Backbone interact. energy: 0.533 local terms energy: -666.761816 where: bonds (distance) C4'-P energy: -113.352 bonds (distance) P-C4' energy: -110.174 flat angles C4'-P-C4' energy: -143.611 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -209.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2177.503506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.503506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.503506 (E_RNA) where: Base-Base interactions energy: -1522.017 where: short stacking energy: -610.432 Base-Backbone interact. energy: 0.891 local terms energy: -656.378342 where: bonds (distance) C4'-P energy: -111.185 bonds (distance) P-C4' energy: -134.007 flat angles C4'-P-C4' energy: -138.435 flat angles P-C4'-P energy: -98.457 tors. eta vs tors. theta energy: -174.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2022.050307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.050307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.050307 (E_RNA) where: Base-Base interactions energy: -1435.759 where: short stacking energy: -595.469 Base-Backbone interact. energy: -0.316 local terms energy: -585.974834 where: bonds (distance) C4'-P energy: -105.421 bonds (distance) P-C4' energy: -103.103 flat angles C4'-P-C4' energy: -132.013 flat angles P-C4'-P energy: -72.768 tors. eta vs tors. theta energy: -172.670 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: 8, replica: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1921.479612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.479612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.479612 (E_RNA) where: Base-Base interactions energy: -1326.062 where: short stacking energy: -552.043 Base-Backbone interact. energy: -1.208 local terms energy: -594.209373 where: bonds (distance) C4'-P energy: -116.467 bonds (distance) P-C4' energy: -108.013 flat angles C4'-P-C4' energy: -125.075 flat angles P-C4'-P energy: -80.187 tors. eta vs tors. theta energy: -164.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1366.257680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.257680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.257680 (E_RNA) where: Base-Base interactions energy: -880.302 where: short stacking energy: -392.149 Base-Backbone interact. energy: -0.125 local terms energy: -485.830329 where: bonds (distance) C4'-P energy: -112.281 bonds (distance) P-C4' energy: -105.077 flat angles C4'-P-C4' energy: -114.549 flat angles P-C4'-P energy: -71.963 tors. eta vs tors. theta energy: -81.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1070.498510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.498510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.498510 (E_RNA) where: Base-Base interactions energy: -675.821 where: short stacking energy: -315.170 Base-Backbone interact. energy: -4.596 local terms energy: -390.081387 where: bonds (distance) C4'-P energy: -86.010 bonds (distance) P-C4' energy: -92.547 flat angles C4'-P-C4' energy: -95.646 flat angles P-C4'-P energy: -80.608 tors. eta vs tors. theta energy: -35.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2629.076776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.076776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.076776 (E_RNA) where: Base-Base interactions energy: -1859.338 where: short stacking energy: -743.445 Base-Backbone interact. energy: -0.188 local terms energy: -769.551154 where: bonds (distance) C4'-P energy: -139.648 bonds (distance) P-C4' energy: -139.716 flat angles C4'-P-C4' energy: -155.423 flat angles P-C4'-P energy: -111.811 tors. eta vs tors. theta energy: -222.954 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2545.814392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.814392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.814392 (E_RNA) where: Base-Base interactions energy: -1806.753 where: short stacking energy: -739.973 Base-Backbone interact. energy: -1.830 local terms energy: -737.231177 where: bonds (distance) C4'-P energy: -125.875 bonds (distance) P-C4' energy: -140.433 flat angles C4'-P-C4' energy: -161.688 flat angles P-C4'-P energy: -100.763 tors. eta vs tors. theta energy: -208.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2511.898913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.898913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.898913 (E_RNA) where: Base-Base interactions energy: -1775.036 where: short stacking energy: -742.740 Base-Backbone interact. energy: 2.463 local terms energy: -739.325570 where: bonds (distance) C4'-P energy: -129.484 bonds (distance) P-C4' energy: -129.534 flat angles C4'-P-C4' energy: -144.042 flat angles P-C4'-P energy: -107.797 tors. eta vs tors. theta energy: -228.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2460.841831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.841831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.841831 (E_RNA) where: Base-Base interactions energy: -1769.092 where: short stacking energy: -708.757 Base-Backbone interact. energy: 4.432 local terms energy: -696.182017 where: bonds (distance) C4'-P energy: -116.230 bonds (distance) P-C4' energy: -131.399 flat angles C4'-P-C4' energy: -152.455 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: -202.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2335.686326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.686326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.686326 (E_RNA) where: Base-Base interactions energy: -1644.947 where: short stacking energy: -668.251 Base-Backbone interact. energy: -3.455 local terms energy: -687.284081 where: bonds (distance) C4'-P energy: -131.964 bonds (distance) P-C4' energy: -117.261 flat angles C4'-P-C4' energy: -143.414 flat angles P-C4'-P energy: -97.229 tors. eta vs tors. theta energy: -197.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2133.248861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.248861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.248861 (E_RNA) where: Base-Base interactions energy: -1513.874 where: short stacking energy: -610.104 Base-Backbone interact. energy: -1.000 local terms energy: -618.374562 where: bonds (distance) C4'-P energy: -114.523 bonds (distance) P-C4' energy: -107.446 flat angles C4'-P-C4' energy: -127.055 flat angles P-C4'-P energy: -93.811 tors. eta vs tors. theta energy: -175.538 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: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2034.446031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.446031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.446031 (E_RNA) where: Base-Base interactions energy: -1413.679 where: short stacking energy: -582.453 Base-Backbone interact. energy: -0.377 local terms energy: -620.390196 where: bonds (distance) C4'-P energy: -109.084 bonds (distance) P-C4' energy: -115.174 flat angles C4'-P-C4' energy: -122.244 flat angles P-C4'-P energy: -98.735 tors. eta vs tors. theta energy: -175.154 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: 8, replica: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1909.601347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.601347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.601347 (E_RNA) where: Base-Base interactions energy: -1307.405 where: short stacking energy: -568.421 Base-Backbone interact. energy: -1.681 local terms energy: -600.515798 where: bonds (distance) C4'-P energy: -116.198 bonds (distance) P-C4' energy: -102.494 flat angles C4'-P-C4' energy: -129.747 flat angles P-C4'-P energy: -85.219 tors. eta vs tors. theta energy: -166.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1370.395415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.395415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.395415 (E_RNA) where: Base-Base interactions energy: -924.529 where: short stacking energy: -402.945 Base-Backbone interact. energy: -0.935 local terms energy: -444.931635 where: bonds (distance) C4'-P energy: -109.890 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -97.842 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -64.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1042.042059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.042059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.042059 (E_RNA) where: Base-Base interactions energy: -611.328 where: short stacking energy: -307.913 Base-Backbone interact. energy: 2.171 local terms energy: -432.885705 where: bonds (distance) C4'-P energy: -107.744 bonds (distance) P-C4' energy: -95.018 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -58.416 tors. eta vs tors. theta energy: -46.401 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: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2600.962342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.962342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.962342 (E_RNA) where: Base-Base interactions energy: -1861.905 where: short stacking energy: -764.742 Base-Backbone interact. energy: -0.769 local terms energy: -738.287779 where: bonds (distance) C4'-P energy: -141.596 bonds (distance) P-C4' energy: -132.871 flat angles C4'-P-C4' energy: -142.040 flat angles P-C4'-P energy: -100.435 tors. eta vs tors. theta energy: -221.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2535.069595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.069595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.069595 (E_RNA) where: Base-Base interactions energy: -1804.649 where: short stacking energy: -725.203 Base-Backbone interact. energy: -0.006 local terms energy: -730.415474 where: bonds (distance) C4'-P energy: -119.846 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -162.198 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -212.477 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: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2498.390988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.390988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.390988 (E_RNA) where: Base-Base interactions energy: -1764.379 where: short stacking energy: -719.047 Base-Backbone interact. energy: -0.178 local terms energy: -733.834410 where: bonds (distance) C4'-P energy: -115.554 bonds (distance) P-C4' energy: -126.146 flat angles C4'-P-C4' energy: -160.082 flat angles P-C4'-P energy: -110.368 tors. eta vs tors. theta energy: -221.685 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: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2445.040195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.040195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.040195 (E_RNA) where: Base-Base interactions energy: -1756.599 where: short stacking energy: -701.113 Base-Backbone interact. energy: -1.250 local terms energy: -687.190820 where: bonds (distance) C4'-P energy: -120.906 bonds (distance) P-C4' energy: -130.344 flat angles C4'-P-C4' energy: -138.500 flat angles P-C4'-P energy: -92.272 tors. eta vs tors. theta energy: -205.169 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: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2307.839383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.839383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.839383 (E_RNA) where: Base-Base interactions energy: -1644.722 where: short stacking energy: -680.121 Base-Backbone interact. energy: 2.717 local terms energy: -665.833846 where: bonds (distance) C4'-P energy: -104.354 bonds (distance) P-C4' energy: -130.587 flat angles C4'-P-C4' energy: -138.786 flat angles P-C4'-P energy: -94.681 tors. eta vs tors. theta energy: -197.426 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: 6, replica: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2117.638587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.638587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.638587 (E_RNA) where: Base-Base interactions energy: -1508.246 where: short stacking energy: -616.407 Base-Backbone interact. energy: -1.017 local terms energy: -608.375561 where: bonds (distance) C4'-P energy: -114.183 bonds (distance) P-C4' energy: -105.246 flat angles C4'-P-C4' energy: -127.566 flat angles P-C4'-P energy: -91.586 tors. eta vs tors. theta energy: -169.794 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: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2073.155503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.155503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.155503 (E_RNA) where: Base-Base interactions energy: -1481.284 where: short stacking energy: -611.180 Base-Backbone interact. energy: -1.509 local terms energy: -590.362729 where: bonds (distance) C4'-P energy: -90.435 bonds (distance) P-C4' energy: -124.351 flat angles C4'-P-C4' energy: -116.641 flat angles P-C4'-P energy: -79.420 tors. eta vs tors. theta energy: -179.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1935.940695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.940695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.940695 (E_RNA) where: Base-Base interactions energy: -1354.403 where: short stacking energy: -558.844 Base-Backbone interact. energy: 1.164 local terms energy: -582.701129 where: bonds (distance) C4'-P energy: -106.014 bonds (distance) P-C4' energy: -107.252 flat angles C4'-P-C4' energy: -136.634 flat angles P-C4'-P energy: -80.685 tors. eta vs tors. theta energy: -152.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1306.568455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.568455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.568455 (E_RNA) where: Base-Base interactions energy: -882.041 where: short stacking energy: -402.611 Base-Backbone interact. energy: 0.172 local terms energy: -424.700172 where: bonds (distance) C4'-P energy: -94.716 bonds (distance) P-C4' energy: -101.775 flat angles C4'-P-C4' energy: -102.103 flat angles P-C4'-P energy: -54.022 tors. eta vs tors. theta energy: -72.085 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: 266 Temperature: 1.350000 Total energy: -1066.132245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.132245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.132245 (E_RNA) where: Base-Base interactions energy: -660.769 where: short stacking energy: -296.887 Base-Backbone interact. energy: -0.413 local terms energy: -404.949681 where: bonds (distance) C4'-P energy: -96.193 bonds (distance) P-C4' energy: -109.441 flat angles C4'-P-C4' energy: -108.273 flat angles P-C4'-P energy: -71.452 tors. eta vs tors. theta energy: -19.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2638.552987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.552987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.552987 (E_RNA) where: Base-Base interactions energy: -1867.962 where: short stacking energy: -759.828 Base-Backbone interact. energy: -3.850 local terms energy: -766.741495 where: bonds (distance) C4'-P energy: -131.789 bonds (distance) P-C4' energy: -130.665 flat angles C4'-P-C4' energy: -167.171 flat angles P-C4'-P energy: -104.876 tors. eta vs tors. theta energy: -232.240 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: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2546.729898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.729898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.729898 (E_RNA) where: Base-Base interactions energy: -1818.052 where: short stacking energy: -734.850 Base-Backbone interact. energy: -2.031 local terms energy: -726.647646 where: bonds (distance) C4'-P energy: -130.134 bonds (distance) P-C4' energy: -129.425 flat angles C4'-P-C4' energy: -148.041 flat angles P-C4'-P energy: -91.878 tors. eta vs tors. theta energy: -227.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2484.570672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.570672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.570672 (E_RNA) where: Base-Base interactions energy: -1784.909 where: short stacking energy: -723.869 Base-Backbone interact. energy: -2.546 local terms energy: -697.116150 where: bonds (distance) C4'-P energy: -122.260 bonds (distance) P-C4' energy: -116.618 flat angles C4'-P-C4' energy: -148.877 flat angles P-C4'-P energy: -108.353 tors. eta vs tors. theta energy: -201.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2449.793303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.793303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.793303 (E_RNA) where: Base-Base interactions energy: -1737.535 where: short stacking energy: -699.785 Base-Backbone interact. energy: -3.997 local terms energy: -708.261293 where: bonds (distance) C4'-P energy: -139.068 bonds (distance) P-C4' energy: -137.128 flat angles C4'-P-C4' energy: -135.817 flat angles P-C4'-P energy: -88.610 tors. eta vs tors. theta energy: -207.637 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: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2333.096786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.096786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.096786 (E_RNA) where: Base-Base interactions energy: -1646.692 where: short stacking energy: -658.438 Base-Backbone interact. energy: 1.019 local terms energy: -687.424035 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -125.999 flat angles C4'-P-C4' energy: -145.945 flat angles P-C4'-P energy: -100.957 tors. eta vs tors. theta energy: -196.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2129.390592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.390592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.390592 (E_RNA) where: Base-Base interactions energy: -1514.485 where: short stacking energy: -611.024 Base-Backbone interact. energy: -1.549 local terms energy: -613.355749 where: bonds (distance) C4'-P energy: -106.584 bonds (distance) P-C4' energy: -113.802 flat angles C4'-P-C4' energy: -143.337 flat angles P-C4'-P energy: -87.384 tors. eta vs tors. theta energy: -162.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2089.403026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.403026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.403026 (E_RNA) where: Base-Base interactions energy: -1479.662 where: short stacking energy: -604.722 Base-Backbone interact. energy: -1.389 local terms energy: -608.351549 where: bonds (distance) C4'-P energy: -96.552 bonds (distance) P-C4' energy: -108.609 flat angles C4'-P-C4' energy: -129.546 flat angles P-C4'-P energy: -95.027 tors. eta vs tors. theta energy: -178.618 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: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1890.351104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.351104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.351104 (E_RNA) where: Base-Base interactions energy: -1336.704 where: short stacking energy: -539.962 Base-Backbone interact. energy: 1.635 local terms energy: -555.282561 where: bonds (distance) C4'-P energy: -115.026 bonds (distance) P-C4' energy: -91.930 flat angles C4'-P-C4' energy: -122.153 flat angles P-C4'-P energy: -84.473 tors. eta vs tors. theta energy: -141.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1310.491188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.491188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.491188 (E_RNA) where: Base-Base interactions energy: -875.205 where: short stacking energy: -401.638 Base-Backbone interact. energy: 2.817 local terms energy: -438.103514 where: bonds (distance) C4'-P energy: -107.765 bonds (distance) P-C4' energy: -98.158 flat angles C4'-P-C4' energy: -104.035 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -63.829 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: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1041.747585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.747585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.747585 (E_RNA) where: Base-Base interactions energy: -617.350 where: short stacking energy: -249.730 Base-Backbone interact. energy: 0.634 local terms energy: -425.032055 where: bonds (distance) C4'-P energy: -114.473 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -96.992 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -31.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2602.822949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.822949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.822949 (E_RNA) where: Base-Base interactions energy: -1843.302 where: short stacking energy: -752.290 Base-Backbone interact. energy: -0.067 local terms energy: -759.453896 where: bonds (distance) C4'-P energy: -135.093 bonds (distance) P-C4' energy: -120.797 flat angles C4'-P-C4' energy: -158.156 flat angles P-C4'-P energy: -119.111 tors. eta vs tors. theta energy: -226.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2537.998264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.998264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.998264 (E_RNA) where: Base-Base interactions energy: -1786.746 where: short stacking energy: -739.562 Base-Backbone interact. energy: -0.168 local terms energy: -751.084455 where: bonds (distance) C4'-P energy: -133.190 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -162.609 flat angles P-C4'-P energy: -99.163 tors. eta vs tors. theta energy: -222.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2480.353079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.353079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.353079 (E_RNA) where: Base-Base interactions energy: -1766.000 where: short stacking energy: -709.892 Base-Backbone interact. energy: -2.132 local terms energy: -712.220811 where: bonds (distance) C4'-P energy: -111.471 bonds (distance) P-C4' energy: -124.993 flat angles C4'-P-C4' energy: -154.796 flat angles P-C4'-P energy: -106.523 tors. eta vs tors. theta energy: -214.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2453.895869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.895869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.895869 (E_RNA) where: Base-Base interactions energy: -1735.681 where: short stacking energy: -681.471 Base-Backbone interact. energy: -2.508 local terms energy: -715.707149 where: bonds (distance) C4'-P energy: -119.153 bonds (distance) P-C4' energy: -136.562 flat angles C4'-P-C4' energy: -147.222 flat angles P-C4'-P energy: -106.698 tors. eta vs tors. theta energy: -206.072 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: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2330.283199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.283199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.283199 (E_RNA) where: Base-Base interactions energy: -1647.632 where: short stacking energy: -644.689 Base-Backbone interact. energy: -1.349 local terms energy: -681.302542 where: bonds (distance) C4'-P energy: -128.801 bonds (distance) P-C4' energy: -119.934 flat angles C4'-P-C4' energy: -146.146 flat angles P-C4'-P energy: -90.027 tors. eta vs tors. theta energy: -196.394 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: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2135.397503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.397503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.397503 (E_RNA) where: Base-Base interactions energy: -1512.588 where: short stacking energy: -606.004 Base-Backbone interact. energy: 3.200 local terms energy: -626.009730 where: bonds (distance) C4'-P energy: -109.210 bonds (distance) P-C4' energy: -105.548 flat angles C4'-P-C4' energy: -147.372 flat angles P-C4'-P energy: -87.252 tors. eta vs tors. theta energy: -176.627 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: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1915.007125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.007125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.007125 (E_RNA) where: Base-Base interactions energy: -1324.707 where: short stacking energy: -565.769 Base-Backbone interact. energy: -0.623 local terms energy: -589.676559 where: bonds (distance) C4'-P energy: -102.037 bonds (distance) P-C4' energy: -104.939 flat angles C4'-P-C4' energy: -130.267 flat angles P-C4'-P energy: -87.445 tors. eta vs tors. theta energy: -164.989 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: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1996.186095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.186095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.186095 (E_RNA) where: Base-Base interactions energy: -1354.605 where: short stacking energy: -565.675 Base-Backbone interact. energy: -1.094 local terms energy: -640.488031 where: bonds (distance) C4'-P energy: -111.459 bonds (distance) P-C4' energy: -123.958 flat angles C4'-P-C4' energy: -143.481 flat angles P-C4'-P energy: -89.860 tors. eta vs tors. theta energy: -171.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1319.966494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.966494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.966494 (E_RNA) where: Base-Base interactions energy: -852.774 where: short stacking energy: -375.089 Base-Backbone interact. energy: -3.152 local terms energy: -464.041234 where: bonds (distance) C4'-P energy: -105.264 bonds (distance) P-C4' energy: -100.246 flat angles C4'-P-C4' energy: -109.439 flat angles P-C4'-P energy: -84.060 tors. eta vs tors. theta energy: -65.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -988.732905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.732905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.732905 (E_RNA) where: Base-Base interactions energy: -568.801 where: short stacking energy: -279.105 Base-Backbone interact. energy: -3.230 local terms energy: -416.701452 where: bonds (distance) C4'-P energy: -102.559 bonds (distance) P-C4' energy: -120.985 flat angles C4'-P-C4' energy: -102.127 flat angles P-C4'-P energy: -61.246 tors. eta vs tors. theta energy: -29.786 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: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2611.575388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.575388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.575388 (E_RNA) where: Base-Base interactions energy: -1867.845 where: short stacking energy: -758.586 Base-Backbone interact. energy: -2.127 local terms energy: -741.602934 where: bonds (distance) C4'-P energy: -136.415 bonds (distance) P-C4' energy: -127.174 flat angles C4'-P-C4' energy: -145.888 flat angles P-C4'-P energy: -112.089 tors. eta vs tors. theta energy: -220.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2562.760414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.760414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.760414 (E_RNA) where: Base-Base interactions energy: -1799.898 where: short stacking energy: -746.749 Base-Backbone interact. energy: -2.082 local terms energy: -760.780820 where: bonds (distance) C4'-P energy: -122.534 bonds (distance) P-C4' energy: -140.591 flat angles C4'-P-C4' energy: -152.402 flat angles P-C4'-P energy: -109.882 tors. eta vs tors. theta energy: -235.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2486.477435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.477435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.477435 (E_RNA) where: Base-Base interactions energy: -1771.798 where: short stacking energy: -719.586 Base-Backbone interact. energy: -1.173 local terms energy: -713.506200 where: bonds (distance) C4'-P energy: -129.851 bonds (distance) P-C4' energy: -125.851 flat angles C4'-P-C4' energy: -151.529 flat angles P-C4'-P energy: -100.213 tors. eta vs tors. theta energy: -206.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2449.266958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.266958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.266958 (E_RNA) where: Base-Base interactions energy: -1748.329 where: short stacking energy: -692.936 Base-Backbone interact. energy: -1.999 local terms energy: -698.938747 where: bonds (distance) C4'-P energy: -116.775 bonds (distance) P-C4' energy: -133.625 flat angles C4'-P-C4' energy: -155.949 flat angles P-C4'-P energy: -94.587 tors. eta vs tors. theta energy: -198.002 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: 269 Temperature: 1.100000 Total energy: -2321.518292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.518292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.518292 (E_RNA) where: Base-Base interactions energy: -1674.665 where: short stacking energy: -662.267 Base-Backbone interact. energy: -4.358 local terms energy: -642.495199 where: bonds (distance) C4'-P energy: -108.340 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -138.231 flat angles P-C4'-P energy: -92.379 tors. eta vs tors. theta energy: -200.812 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: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2155.016451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.016451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.016451 (E_RNA) where: Base-Base interactions energy: -1507.340 where: short stacking energy: -617.530 Base-Backbone interact. energy: -0.553 local terms energy: -647.123465 where: bonds (distance) C4'-P energy: -127.906 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -98.546 tors. eta vs tors. theta energy: -181.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1909.591653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.591653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.591653 (E_RNA) where: Base-Base interactions energy: -1342.851 where: short stacking energy: -549.011 Base-Backbone interact. energy: -0.925 local terms energy: -565.815140 where: bonds (distance) C4'-P energy: -115.845 bonds (distance) P-C4' energy: -103.807 flat angles C4'-P-C4' energy: -114.352 flat angles P-C4'-P energy: -77.916 tors. eta vs tors. theta energy: -153.896 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: 269 Temperature: 1.250000 Total energy: -1899.863730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.863730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.863730 (E_RNA) where: Base-Base interactions energy: -1328.345 where: short stacking energy: -544.280 Base-Backbone interact. energy: -1.602 local terms energy: -569.916508 where: bonds (distance) C4'-P energy: -100.998 bonds (distance) P-C4' energy: -118.546 flat angles C4'-P-C4' energy: -122.454 flat angles P-C4'-P energy: -76.774 tors. eta vs tors. theta energy: -151.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1331.460433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.460433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.460433 (E_RNA) where: Base-Base interactions energy: -829.295 where: short stacking energy: -352.934 Base-Backbone interact. energy: -3.042 local terms energy: -499.122664 where: bonds (distance) C4'-P energy: -103.038 bonds (distance) P-C4' energy: -121.746 flat angles C4'-P-C4' energy: -119.510 flat angles P-C4'-P energy: -82.099 tors. eta vs tors. theta energy: -72.730 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: 269 Temperature: 1.350000 Total energy: -969.608104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.608104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.608104 (E_RNA) where: Base-Base interactions energy: -556.602 where: short stacking energy: -271.625 Base-Backbone interact. energy: 0.874 local terms energy: -413.880160 where: bonds (distance) C4'-P energy: -107.564 bonds (distance) P-C4' energy: -121.215 flat angles C4'-P-C4' energy: -98.126 flat angles P-C4'-P energy: -64.779 tors. eta vs tors. theta energy: -22.197 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: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2595.776668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.776668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.776668 (E_RNA) where: Base-Base interactions energy: -1846.021 where: short stacking energy: -743.888 Base-Backbone interact. energy: 0.158 local terms energy: -749.913229 where: bonds (distance) C4'-P energy: -132.339 bonds (distance) P-C4' energy: -140.494 flat angles C4'-P-C4' energy: -160.886 flat angles P-C4'-P energy: -99.262 tors. eta vs tors. theta energy: -216.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2576.480865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.480865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.480865 (E_RNA) where: Base-Base interactions energy: -1824.454 where: short stacking energy: -741.911 Base-Backbone interact. energy: -2.021 local terms energy: -750.005636 where: bonds (distance) C4'-P energy: -118.877 bonds (distance) P-C4' energy: -136.340 flat angles C4'-P-C4' energy: -153.001 flat angles P-C4'-P energy: -111.278 tors. eta vs tors. theta energy: -230.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2518.716238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.716238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.716238 (E_RNA) where: Base-Base interactions energy: -1815.842 where: short stacking energy: -731.936 Base-Backbone interact. energy: -1.227 local terms energy: -701.647719 where: bonds (distance) C4'-P energy: -127.466 bonds (distance) P-C4' energy: -112.813 flat angles C4'-P-C4' energy: -145.008 flat angles P-C4'-P energy: -105.333 tors. eta vs tors. theta energy: -211.028 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: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2429.656123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.656123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.656123 (E_RNA) where: Base-Base interactions energy: -1725.969 where: short stacking energy: -707.656 Base-Backbone interact. energy: 0.538 local terms energy: -704.225664 where: bonds (distance) C4'-P energy: -116.488 bonds (distance) P-C4' energy: -121.060 flat angles C4'-P-C4' energy: -151.597 flat angles P-C4'-P energy: -105.965 tors. eta vs tors. theta energy: -209.116 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: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2332.608999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.608999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.608999 (E_RNA) where: Base-Base interactions energy: -1637.809 where: short stacking energy: -655.422 Base-Backbone interact. energy: -1.612 local terms energy: -693.187716 where: bonds (distance) C4'-P energy: -127.202 bonds (distance) P-C4' energy: -132.248 flat angles C4'-P-C4' energy: -142.474 flat angles P-C4'-P energy: -89.873 tors. eta vs tors. theta energy: -201.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2208.895485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.895485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.895485 (E_RNA) where: Base-Base interactions energy: -1576.219 where: short stacking energy: -657.213 Base-Backbone interact. energy: -1.915 local terms energy: -630.761561 where: bonds (distance) C4'-P energy: -100.192 bonds (distance) P-C4' energy: -111.759 flat angles C4'-P-C4' energy: -132.009 flat angles P-C4'-P energy: -96.416 tors. eta vs tors. theta energy: -190.385 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: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1938.923552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.923552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.923552 (E_RNA) where: Base-Base interactions energy: -1319.557 where: short stacking energy: -567.179 Base-Backbone interact. energy: -2.456 local terms energy: -616.910541 where: bonds (distance) C4'-P energy: -107.745 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -126.032 flat angles P-C4'-P energy: -106.924 tors. eta vs tors. theta energy: -153.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1895.625327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.625327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.625327 (E_RNA) where: Base-Base interactions energy: -1308.540 where: short stacking energy: -560.573 Base-Backbone interact. energy: 5.231 local terms energy: -592.316420 where: bonds (distance) C4'-P energy: -107.893 bonds (distance) P-C4' energy: -116.655 flat angles C4'-P-C4' energy: -127.812 flat angles P-C4'-P energy: -75.960 tors. eta vs tors. theta energy: -163.995 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: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1374.923077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.923077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.923077 (E_RNA) where: Base-Base interactions energy: -910.245 where: short stacking energy: -424.217 Base-Backbone interact. energy: 11.235 local terms energy: -475.912851 where: bonds (distance) C4'-P energy: -109.657 bonds (distance) P-C4' energy: -100.240 flat angles C4'-P-C4' energy: -107.938 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -89.427 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: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -995.889823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.889823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.889823 (E_RNA) where: Base-Base interactions energy: -590.465 where: short stacking energy: -282.094 Base-Backbone interact. energy: 0.296 local terms energy: -405.720924 where: bonds (distance) C4'-P energy: -101.400 bonds (distance) P-C4' energy: -110.319 flat angles C4'-P-C4' energy: -88.701 flat angles P-C4'-P energy: -59.487 tors. eta vs tors. theta energy: -45.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2594.132410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.132410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.132410 (E_RNA) where: Base-Base interactions energy: -1848.413 where: short stacking energy: -752.136 Base-Backbone interact. energy: -0.432 local terms energy: -745.287673 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -132.789 flat angles C4'-P-C4' energy: -156.519 flat angles P-C4'-P energy: -108.482 tors. eta vs tors. theta energy: -220.200 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: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2582.980008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.980008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.980008 (E_RNA) where: Base-Base interactions energy: -1825.195 where: short stacking energy: -771.685 Base-Backbone interact. energy: -0.849 local terms energy: -756.935755 where: bonds (distance) C4'-P energy: -135.949 bonds (distance) P-C4' energy: -118.467 flat angles C4'-P-C4' energy: -160.761 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -235.132 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: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2489.052157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.052157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.052157 (E_RNA) where: Base-Base interactions energy: -1779.168 where: short stacking energy: -712.115 Base-Backbone interact. energy: -2.366 local terms energy: -707.518367 where: bonds (distance) C4'-P energy: -128.647 bonds (distance) P-C4' energy: -126.192 flat angles C4'-P-C4' energy: -148.497 flat angles P-C4'-P energy: -92.554 tors. eta vs tors. theta energy: -211.628 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: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2437.854131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.854131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.854131 (E_RNA) where: Base-Base interactions energy: -1736.760 where: short stacking energy: -700.845 Base-Backbone interact. energy: -3.598 local terms energy: -697.495942 where: bonds (distance) C4'-P energy: -112.917 bonds (distance) P-C4' energy: -133.929 flat angles C4'-P-C4' energy: -143.185 flat angles P-C4'-P energy: -101.144 tors. eta vs tors. theta energy: -206.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2352.781139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.781139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.781139 (E_RNA) where: Base-Base interactions energy: -1645.402 where: short stacking energy: -669.002 Base-Backbone interact. energy: -2.668 local terms energy: -704.711320 where: bonds (distance) C4'-P energy: -118.547 bonds (distance) P-C4' energy: -129.822 flat angles C4'-P-C4' energy: -151.894 flat angles P-C4'-P energy: -99.427 tors. eta vs tors. theta energy: -205.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2193.658961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.658961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.658961 (E_RNA) where: Base-Base interactions energy: -1599.982 where: short stacking energy: -641.737 Base-Backbone interact. energy: -1.709 local terms energy: -591.967831 where: bonds (distance) C4'-P energy: -114.807 bonds (distance) P-C4' energy: -101.212 flat angles C4'-P-C4' energy: -130.044 flat angles P-C4'-P energy: -72.169 tors. eta vs tors. theta energy: -173.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1959.570057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.570057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.570057 (E_RNA) where: Base-Base interactions energy: -1363.983 where: short stacking energy: -572.139 Base-Backbone interact. energy: 0.474 local terms energy: -596.060088 where: bonds (distance) C4'-P energy: -100.760 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -132.265 flat angles P-C4'-P energy: -89.248 tors. eta vs tors. theta energy: -160.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1916.147551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.147551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.147551 (E_RNA) where: Base-Base interactions energy: -1324.126 where: short stacking energy: -563.398 Base-Backbone interact. energy: -1.760 local terms energy: -590.261628 where: bonds (distance) C4'-P energy: -100.515 bonds (distance) P-C4' energy: -112.017 flat angles C4'-P-C4' energy: -123.591 flat angles P-C4'-P energy: -98.273 tors. eta vs tors. theta energy: -155.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1337.232597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.232597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.232597 (E_RNA) where: Base-Base interactions energy: -880.093 where: short stacking energy: -411.892 Base-Backbone interact. energy: 3.145 local terms energy: -460.283870 where: bonds (distance) C4'-P energy: -98.690 bonds (distance) P-C4' energy: -117.315 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -56.248 tors. eta vs tors. theta energy: -80.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -920.903912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.903912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.903912 (E_RNA) where: Base-Base interactions energy: -535.657 where: short stacking energy: -239.158 Base-Backbone interact. energy: 4.973 local terms energy: -390.220020 where: bonds (distance) C4'-P energy: -125.779 bonds (distance) P-C4' energy: -105.190 flat angles C4'-P-C4' energy: -88.067 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2612.996668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.996668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.996668 (E_RNA) where: Base-Base interactions energy: -1846.016 where: short stacking energy: -765.639 Base-Backbone interact. energy: -0.908 local terms energy: -766.072801 where: bonds (distance) C4'-P energy: -137.309 bonds (distance) P-C4' energy: -121.699 flat angles C4'-P-C4' energy: -163.149 flat angles P-C4'-P energy: -113.878 tors. eta vs tors. theta energy: -230.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2542.112222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.112222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.112222 (E_RNA) where: Base-Base interactions energy: -1815.368 where: short stacking energy: -750.886 Base-Backbone interact. energy: -1.038 local terms energy: -725.706416 where: bonds (distance) C4'-P energy: -120.760 bonds (distance) P-C4' energy: -130.375 flat angles C4'-P-C4' energy: -160.655 flat angles P-C4'-P energy: -101.106 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: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2476.960867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.960867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.960867 (E_RNA) where: Base-Base interactions energy: -1785.197 where: short stacking energy: -737.023 Base-Backbone interact. energy: 0.694 local terms energy: -692.457965 where: bonds (distance) C4'-P energy: -116.668 bonds (distance) P-C4' energy: -124.071 flat angles C4'-P-C4' energy: -156.813 flat angles P-C4'-P energy: -93.540 tors. eta vs tors. theta energy: -201.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2443.518945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.518945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.518945 (E_RNA) where: Base-Base interactions energy: -1734.413 where: short stacking energy: -696.457 Base-Backbone interact. energy: -1.309 local terms energy: -707.796833 where: bonds (distance) C4'-P energy: -130.160 bonds (distance) P-C4' energy: -126.402 flat angles C4'-P-C4' energy: -146.624 flat angles P-C4'-P energy: -104.461 tors. eta vs tors. theta energy: -200.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2368.599771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.599771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.599771 (E_RNA) where: Base-Base interactions energy: -1680.478 where: short stacking energy: -675.981 Base-Backbone interact. energy: -1.168 local terms energy: -686.953354 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -117.425 flat angles C4'-P-C4' energy: -138.177 flat angles P-C4'-P energy: -97.371 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: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2194.292315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.292315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.292315 (E_RNA) where: Base-Base interactions energy: -1536.032 where: short stacking energy: -628.609 Base-Backbone interact. energy: -0.653 local terms energy: -657.607293 where: bonds (distance) C4'-P energy: -105.406 bonds (distance) P-C4' energy: -123.089 flat angles C4'-P-C4' energy: -148.095 flat angles P-C4'-P energy: -86.904 tors. eta vs tors. theta energy: -194.113 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: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1979.791745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.791745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.791745 (E_RNA) where: Base-Base interactions energy: -1363.898 where: short stacking energy: -582.416 Base-Backbone interact. energy: -1.675 local terms energy: -614.218864 where: bonds (distance) C4'-P energy: -116.388 bonds (distance) P-C4' energy: -133.291 flat angles C4'-P-C4' energy: -126.667 flat angles P-C4'-P energy: -74.732 tors. eta vs tors. theta energy: -163.141 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: 272 Temperature: 1.250000 Total energy: -1889.005537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.005537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.005537 (E_RNA) where: Base-Base interactions energy: -1315.759 where: short stacking energy: -536.288 Base-Backbone interact. energy: -3.007 local terms energy: -570.239497 where: bonds (distance) C4'-P energy: -112.013 bonds (distance) P-C4' energy: -114.261 flat angles C4'-P-C4' energy: -120.902 flat angles P-C4'-P energy: -77.377 tors. eta vs tors. theta energy: -145.686 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: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1348.870815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.870815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.870815 (E_RNA) where: Base-Base interactions energy: -893.574 where: short stacking energy: -393.123 Base-Backbone interact. energy: 6.241 local terms energy: -461.537705 where: bonds (distance) C4'-P energy: -86.689 bonds (distance) P-C4' energy: -102.798 flat angles C4'-P-C4' energy: -123.868 flat angles P-C4'-P energy: -65.393 tors. eta vs tors. theta energy: -82.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -904.975085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.975085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.975085 (E_RNA) where: Base-Base interactions energy: -520.560 where: short stacking energy: -243.469 Base-Backbone interact. energy: 3.018 local terms energy: -387.433713 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -110.581 flat angles C4'-P-C4' energy: -94.003 flat angles P-C4'-P energy: -72.650 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: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2613.968972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.968972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.968972 (E_RNA) where: Base-Base interactions energy: -1817.172 where: short stacking energy: -768.321 Base-Backbone interact. energy: -1.498 local terms energy: -795.299026 where: bonds (distance) C4'-P energy: -142.723 bonds (distance) P-C4' energy: -129.089 flat angles C4'-P-C4' energy: -162.633 flat angles P-C4'-P energy: -118.983 tors. eta vs tors. theta energy: -241.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2549.879794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.879794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.879794 (E_RNA) where: Base-Base interactions energy: -1821.571 where: short stacking energy: -735.885 Base-Backbone interact. energy: -1.389 local terms energy: -726.919323 where: bonds (distance) C4'-P energy: -115.438 bonds (distance) P-C4' energy: -128.029 flat angles C4'-P-C4' energy: -155.823 flat angles P-C4'-P energy: -110.694 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: 273 Temperature: 1.000000 Total energy: -2490.047694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.047694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.047694 (E_RNA) where: Base-Base interactions energy: -1771.573 where: short stacking energy: -708.150 Base-Backbone interact. energy: -2.098 local terms energy: -716.376971 where: bonds (distance) C4'-P energy: -107.694 bonds (distance) P-C4' energy: -147.192 flat angles C4'-P-C4' energy: -163.372 flat angles P-C4'-P energy: -93.490 tors. eta vs tors. theta energy: -204.629 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: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2446.634921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.634921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.634921 (E_RNA) where: Base-Base interactions energy: -1726.314 where: short stacking energy: -690.949 Base-Backbone interact. energy: 2.034 local terms energy: -722.354907 where: bonds (distance) C4'-P energy: -131.251 bonds (distance) P-C4' energy: -127.289 flat angles C4'-P-C4' energy: -152.487 flat angles P-C4'-P energy: -109.928 tors. eta vs tors. theta energy: -201.399 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: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2365.622058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.622058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.622058 (E_RNA) where: Base-Base interactions energy: -1680.523 where: short stacking energy: -687.460 Base-Backbone interact. energy: 0.416 local terms energy: -685.515303 where: bonds (distance) C4'-P energy: -110.872 bonds (distance) P-C4' energy: -115.211 flat angles C4'-P-C4' energy: -144.708 flat angles P-C4'-P energy: -94.909 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: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2170.241437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.241437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.241437 (E_RNA) where: Base-Base interactions energy: -1531.489 where: short stacking energy: -629.370 Base-Backbone interact. energy: -0.635 local terms energy: -638.117266 where: bonds (distance) C4'-P energy: -109.080 bonds (distance) P-C4' energy: -124.692 flat angles C4'-P-C4' energy: -133.732 flat angles P-C4'-P energy: -85.109 tors. eta vs tors. theta energy: -185.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1971.788121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.788121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.788121 (E_RNA) where: Base-Base interactions energy: -1339.155 where: short stacking energy: -569.095 Base-Backbone interact. energy: -1.007 local terms energy: -631.626592 where: bonds (distance) C4'-P energy: -119.416 bonds (distance) P-C4' energy: -128.123 flat angles C4'-P-C4' energy: -132.414 flat angles P-C4'-P energy: -104.352 tors. eta vs tors. theta energy: -147.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -2001.905663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.905663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.905663 (E_RNA) where: Base-Base interactions energy: -1412.120 where: short stacking energy: -605.283 Base-Backbone interact. energy: 0.968 local terms energy: -590.753015 where: bonds (distance) C4'-P energy: -111.489 bonds (distance) P-C4' energy: -115.183 flat angles C4'-P-C4' energy: -125.428 flat angles P-C4'-P energy: -74.620 tors. eta vs tors. theta energy: -164.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1342.501872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.501872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.501872 (E_RNA) where: Base-Base interactions energy: -918.782 where: short stacking energy: -414.521 Base-Backbone interact. energy: -0.491 local terms energy: -423.228014 where: bonds (distance) C4'-P energy: -77.569 bonds (distance) P-C4' energy: -106.423 flat angles C4'-P-C4' energy: -107.835 flat angles P-C4'-P energy: -57.729 tors. eta vs tors. theta energy: -73.673 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: 273 Temperature: 1.350000 Total energy: -921.924796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.924796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.924796 (E_RNA) where: Base-Base interactions energy: -548.211 where: short stacking energy: -248.543 Base-Backbone interact. energy: -0.057 local terms energy: -373.656457 where: bonds (distance) C4'-P energy: -94.057 bonds (distance) P-C4' energy: -120.056 flat angles C4'-P-C4' energy: -90.406 flat angles P-C4'-P energy: -64.774 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2605.760461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.760461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.760461 (E_RNA) where: Base-Base interactions energy: -1826.471 where: short stacking energy: -762.345 Base-Backbone interact. energy: -2.487 local terms energy: -776.801587 where: bonds (distance) C4'-P energy: -140.822 bonds (distance) P-C4' energy: -132.253 flat angles C4'-P-C4' energy: -161.021 flat angles P-C4'-P energy: -113.068 tors. eta vs tors. theta energy: -229.637 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: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2560.081345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.081345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.081345 (E_RNA) where: Base-Base interactions energy: -1816.320 where: short stacking energy: -759.460 Base-Backbone interact. energy: 0.913 local terms energy: -744.673554 where: bonds (distance) C4'-P energy: -136.122 bonds (distance) P-C4' energy: -136.966 flat angles C4'-P-C4' energy: -149.859 flat angles P-C4'-P energy: -107.324 tors. eta vs tors. theta energy: -214.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2508.855214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.855214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.855214 (E_RNA) where: Base-Base interactions energy: -1822.616 where: short stacking energy: -714.142 Base-Backbone interact. energy: -3.926 local terms energy: -682.312934 where: bonds (distance) C4'-P energy: -113.948 bonds (distance) P-C4' energy: -121.985 flat angles C4'-P-C4' energy: -147.076 flat angles P-C4'-P energy: -89.229 tors. eta vs tors. theta energy: -210.075 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: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2371.510015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.510015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.510015 (E_RNA) where: Base-Base interactions energy: -1690.260 where: short stacking energy: -682.789 Base-Backbone interact. energy: -1.016 local terms energy: -680.234059 where: bonds (distance) C4'-P energy: -124.328 bonds (distance) P-C4' energy: -125.951 flat angles C4'-P-C4' energy: -143.956 flat angles P-C4'-P energy: -89.906 tors. eta vs tors. theta energy: -196.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2339.818736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.818736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.818736 (E_RNA) where: Base-Base interactions energy: -1655.170 where: short stacking energy: -686.879 Base-Backbone interact. energy: -3.215 local terms energy: -681.433860 where: bonds (distance) C4'-P energy: -128.528 bonds (distance) P-C4' energy: -117.746 flat angles C4'-P-C4' energy: -138.334 flat angles P-C4'-P energy: -88.733 tors. eta vs tors. theta energy: -208.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2107.484412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.484412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.484412 (E_RNA) where: Base-Base interactions energy: -1461.554 where: short stacking energy: -607.605 Base-Backbone interact. energy: -4.262 local terms energy: -641.668781 where: bonds (distance) C4'-P energy: -119.947 bonds (distance) P-C4' energy: -125.667 flat angles C4'-P-C4' energy: -146.710 flat angles P-C4'-P energy: -76.391 tors. eta vs tors. theta energy: -172.955 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: 274 Temperature: 1.200000 Total energy: -2029.308021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.308021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.308021 (E_RNA) where: Base-Base interactions energy: -1419.345 where: short stacking energy: -578.876 Base-Backbone interact. energy: -0.494 local terms energy: -609.468440 where: bonds (distance) C4'-P energy: -117.212 bonds (distance) P-C4' energy: -119.974 flat angles C4'-P-C4' energy: -128.808 flat angles P-C4'-P energy: -81.556 tors. eta vs tors. theta energy: -161.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -2026.939943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.939943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.939943 (E_RNA) where: Base-Base interactions energy: -1398.629 where: short stacking energy: -579.897 Base-Backbone interact. energy: 1.974 local terms energy: -630.284863 where: bonds (distance) C4'-P energy: -104.933 bonds (distance) P-C4' energy: -132.341 flat angles C4'-P-C4' energy: -123.404 flat angles P-C4'-P energy: -94.428 tors. eta vs tors. theta energy: -175.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1411.331459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.331459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.331459 (E_RNA) where: Base-Base interactions energy: -926.800 where: short stacking energy: -418.417 Base-Backbone interact. energy: -1.495 local terms energy: -483.036844 where: bonds (distance) C4'-P energy: -102.900 bonds (distance) P-C4' energy: -115.225 flat angles C4'-P-C4' energy: -122.863 flat angles P-C4'-P energy: -66.328 tors. eta vs tors. theta energy: -75.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -984.838366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.838366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.838366 (E_RNA) where: Base-Base interactions energy: -580.813 where: short stacking energy: -260.278 Base-Backbone interact. energy: 0.437 local terms energy: -404.462793 where: bonds (distance) C4'-P energy: -108.191 bonds (distance) P-C4' energy: -108.873 flat angles C4'-P-C4' energy: -107.687 flat angles P-C4'-P energy: -64.620 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2601.691480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.691480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.691480 (E_RNA) where: Base-Base interactions energy: -1836.710 where: short stacking energy: -770.357 Base-Backbone interact. energy: -3.892 local terms energy: -761.089580 where: bonds (distance) C4'-P energy: -126.140 bonds (distance) P-C4' energy: -140.715 flat angles C4'-P-C4' energy: -154.028 flat angles P-C4'-P energy: -109.863 tors. eta vs tors. theta energy: -230.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2564.031313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.031313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.031313 (E_RNA) where: Base-Base interactions energy: -1819.826 where: short stacking energy: -735.021 Base-Backbone interact. energy: -2.294 local terms energy: -741.911406 where: bonds (distance) C4'-P energy: -134.997 bonds (distance) P-C4' energy: -120.826 flat angles C4'-P-C4' energy: -159.586 flat angles P-C4'-P energy: -103.645 tors. eta vs tors. theta energy: -222.858 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: 275 Temperature: 1.000000 Total energy: -2487.448205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.448205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.448205 (E_RNA) where: Base-Base interactions energy: -1766.639 where: short stacking energy: -728.482 Base-Backbone interact. energy: -1.713 local terms energy: -719.096427 where: bonds (distance) C4'-P energy: -120.276 bonds (distance) P-C4' energy: -119.827 flat angles C4'-P-C4' energy: -153.656 flat angles P-C4'-P energy: -115.135 tors. eta vs tors. theta energy: -210.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2439.161662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.161662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.161662 (E_RNA) where: Base-Base interactions energy: -1744.652 where: short stacking energy: -729.422 Base-Backbone interact. energy: -2.750 local terms energy: -691.759514 where: bonds (distance) C4'-P energy: -118.525 bonds (distance) P-C4' energy: -117.212 flat angles C4'-P-C4' energy: -154.369 flat angles P-C4'-P energy: -87.871 tors. eta vs tors. theta energy: -213.782 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: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2340.561175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.561175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.561175 (E_RNA) where: Base-Base interactions energy: -1670.306 where: short stacking energy: -673.708 Base-Backbone interact. energy: 0.813 local terms energy: -671.068284 where: bonds (distance) C4'-P energy: -129.754 bonds (distance) P-C4' energy: -118.274 flat angles C4'-P-C4' energy: -145.128 flat angles P-C4'-P energy: -75.180 tors. eta vs tors. theta energy: -202.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2074.860068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.860068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.860068 (E_RNA) where: Base-Base interactions energy: -1427.251 where: short stacking energy: -608.236 Base-Backbone interact. energy: -0.988 local terms energy: -646.621254 where: bonds (distance) C4'-P energy: -122.662 bonds (distance) P-C4' energy: -108.636 flat angles C4'-P-C4' energy: -147.582 flat angles P-C4'-P energy: -95.691 tors. eta vs tors. theta energy: -172.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2103.259452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.259452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.259452 (E_RNA) where: Base-Base interactions energy: -1460.957 where: short stacking energy: -608.508 Base-Backbone interact. energy: 4.638 local terms energy: -646.940345 where: bonds (distance) C4'-P energy: -113.460 bonds (distance) P-C4' energy: -132.426 flat angles C4'-P-C4' energy: -140.675 flat angles P-C4'-P energy: -91.527 tors. eta vs tors. theta energy: -168.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1913.459750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.459750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.459750 (E_RNA) where: Base-Base interactions energy: -1327.804 where: short stacking energy: -580.918 Base-Backbone interact. energy: 4.010 local terms energy: -589.665673 where: bonds (distance) C4'-P energy: -118.499 bonds (distance) P-C4' energy: -101.732 flat angles C4'-P-C4' energy: -133.750 flat angles P-C4'-P energy: -78.363 tors. eta vs tors. theta energy: -157.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1358.269276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.269276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.269276 (E_RNA) where: Base-Base interactions energy: -903.888 where: short stacking energy: -393.782 Base-Backbone interact. energy: 7.441 local terms energy: -461.822026 where: bonds (distance) C4'-P energy: -106.694 bonds (distance) P-C4' energy: -98.241 flat angles C4'-P-C4' energy: -115.760 flat angles P-C4'-P energy: -68.728 tors. eta vs tors. theta energy: -72.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1036.391507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.391507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.391507 (E_RNA) where: Base-Base interactions energy: -625.049 where: short stacking energy: -294.228 Base-Backbone interact. energy: -1.368 local terms energy: -409.974276 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -115.611 flat angles C4'-P-C4' energy: -97.430 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -43.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2602.783356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.783356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.783356 (E_RNA) where: Base-Base interactions energy: -1833.417 where: short stacking energy: -745.793 Base-Backbone interact. energy: -1.143 local terms energy: -768.223448 where: bonds (distance) C4'-P energy: -137.697 bonds (distance) P-C4' energy: -134.956 flat angles C4'-P-C4' energy: -153.253 flat angles P-C4'-P energy: -110.418 tors. eta vs tors. theta energy: -231.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2557.405459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.405459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.405459 (E_RNA) where: Base-Base interactions energy: -1812.060 where: short stacking energy: -749.385 Base-Backbone interact. energy: -3.853 local terms energy: -741.492095 where: bonds (distance) C4'-P energy: -127.739 bonds (distance) P-C4' energy: -129.474 flat angles C4'-P-C4' energy: -159.589 flat angles P-C4'-P energy: -103.825 tors. eta vs tors. theta energy: -220.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2489.644647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.644647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.644647 (E_RNA) where: Base-Base interactions energy: -1769.410 where: short stacking energy: -719.752 Base-Backbone interact. energy: 3.521 local terms energy: -723.756201 where: bonds (distance) C4'-P energy: -122.241 bonds (distance) P-C4' energy: -118.715 flat angles C4'-P-C4' energy: -156.537 flat angles P-C4'-P energy: -110.007 tors. eta vs tors. theta energy: -216.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2433.880631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.880631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.880631 (E_RNA) where: Base-Base interactions energy: -1680.528 where: short stacking energy: -696.881 Base-Backbone interact. energy: 1.712 local terms energy: -755.064183 where: bonds (distance) C4'-P energy: -129.740 bonds (distance) P-C4' energy: -153.333 flat angles C4'-P-C4' energy: -144.428 flat angles P-C4'-P energy: -105.183 tors. eta vs tors. theta energy: -222.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2341.863260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.863260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.863260 (E_RNA) where: Base-Base interactions energy: -1665.305 where: short stacking energy: -677.659 Base-Backbone interact. energy: -1.182 local terms energy: -675.376283 where: bonds (distance) C4'-P energy: -106.855 bonds (distance) P-C4' energy: -121.160 flat angles C4'-P-C4' energy: -132.629 flat angles P-C4'-P energy: -100.448 tors. eta vs tors. theta energy: -214.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2110.444248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.444248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.444248 (E_RNA) where: Base-Base interactions energy: -1483.732 where: short stacking energy: -624.611 Base-Backbone interact. energy: -1.698 local terms energy: -625.014078 where: bonds (distance) C4'-P energy: -105.957 bonds (distance) P-C4' energy: -120.732 flat angles C4'-P-C4' energy: -135.536 flat angles P-C4'-P energy: -76.558 tors. eta vs tors. theta energy: -186.231 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: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2049.095165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.095165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.095165 (E_RNA) where: Base-Base interactions energy: -1424.110 where: short stacking energy: -575.653 Base-Backbone interact. energy: -1.695 local terms energy: -623.289817 where: bonds (distance) C4'-P energy: -112.001 bonds (distance) P-C4' energy: -113.571 flat angles C4'-P-C4' energy: -133.940 flat angles P-C4'-P energy: -94.793 tors. eta vs tors. theta energy: -168.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1876.771578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.771578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.771578 (E_RNA) where: Base-Base interactions energy: -1290.072 where: short stacking energy: -540.477 Base-Backbone interact. energy: -0.530 local terms energy: -586.169360 where: bonds (distance) C4'-P energy: -121.133 bonds (distance) P-C4' energy: -124.346 flat angles C4'-P-C4' energy: -115.122 flat angles P-C4'-P energy: -78.098 tors. eta vs tors. theta energy: -147.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1377.231635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.231635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.231635 (E_RNA) where: Base-Base interactions energy: -884.759 where: short stacking energy: -382.461 Base-Backbone interact. energy: -4.387 local terms energy: -488.085495 where: bonds (distance) C4'-P energy: -111.188 bonds (distance) P-C4' energy: -119.319 flat angles C4'-P-C4' energy: -107.342 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: -76.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1020.327064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.327064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.327064 (E_RNA) where: Base-Base interactions energy: -614.896 where: short stacking energy: -281.564 Base-Backbone interact. energy: 5.629 local terms energy: -411.060438 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -108.049 flat angles C4'-P-C4' energy: -101.751 flat angles P-C4'-P energy: -52.502 tors. eta vs tors. theta energy: -35.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2608.781988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.781988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.781988 (E_RNA) where: Base-Base interactions energy: -1839.846 where: short stacking energy: -775.598 Base-Backbone interact. energy: 1.354 local terms energy: -770.290011 where: bonds (distance) C4'-P energy: -132.612 bonds (distance) P-C4' energy: -133.946 flat angles C4'-P-C4' energy: -159.711 flat angles P-C4'-P energy: -108.193 tors. eta vs tors. theta energy: -235.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2567.563742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.563742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.563742 (E_RNA) where: Base-Base interactions energy: -1808.340 where: short stacking energy: -739.069 Base-Backbone interact. energy: -2.090 local terms energy: -757.134229 where: bonds (distance) C4'-P energy: -147.139 bonds (distance) P-C4' energy: -130.107 flat angles C4'-P-C4' energy: -153.562 flat angles P-C4'-P energy: -102.460 tors. eta vs tors. theta energy: -223.866 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: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2522.516268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.516268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.516268 (E_RNA) where: Base-Base interactions energy: -1768.706 where: short stacking energy: -744.651 Base-Backbone interact. energy: 0.412 local terms energy: -754.221895 where: bonds (distance) C4'-P energy: -128.813 bonds (distance) P-C4' energy: -152.318 flat angles C4'-P-C4' energy: -150.690 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -217.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2358.770191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.770191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.770191 (E_RNA) where: Base-Base interactions energy: -1649.096 where: short stacking energy: -673.715 Base-Backbone interact. energy: 2.865 local terms energy: -712.538767 where: bonds (distance) C4'-P energy: -145.190 bonds (distance) P-C4' energy: -113.987 flat angles C4'-P-C4' energy: -144.337 flat angles P-C4'-P energy: -111.692 tors. eta vs tors. theta energy: -197.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2331.258449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.258449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.258449 (E_RNA) where: Base-Base interactions energy: -1661.362 where: short stacking energy: -675.197 Base-Backbone interact. energy: 0.022 local terms energy: -669.918960 where: bonds (distance) C4'-P energy: -121.430 bonds (distance) P-C4' energy: -113.454 flat angles C4'-P-C4' energy: -136.539 flat angles P-C4'-P energy: -92.457 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: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2124.477566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.477566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.477566 (E_RNA) where: Base-Base interactions energy: -1493.065 where: short stacking energy: -617.505 Base-Backbone interact. energy: 0.311 local terms energy: -631.723578 where: bonds (distance) C4'-P energy: -97.685 bonds (distance) P-C4' energy: -121.247 flat angles C4'-P-C4' energy: -142.816 flat angles P-C4'-P energy: -86.515 tors. eta vs tors. theta energy: -183.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2041.935379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.935379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.935379 (E_RNA) where: Base-Base interactions energy: -1436.004 where: short stacking energy: -596.764 Base-Backbone interact. energy: -1.366 local terms energy: -604.565653 where: bonds (distance) C4'-P energy: -92.408 bonds (distance) P-C4' energy: -113.707 flat angles C4'-P-C4' energy: -123.233 flat angles P-C4'-P energy: -89.574 tors. eta vs tors. theta energy: -185.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1867.010249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.010249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.010249 (E_RNA) where: Base-Base interactions energy: -1299.656 where: short stacking energy: -540.187 Base-Backbone interact. energy: -1.501 local terms energy: -565.853808 where: bonds (distance) C4'-P energy: -107.844 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -108.626 flat angles P-C4'-P energy: -81.860 tors. eta vs tors. theta energy: -160.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1383.147228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.147228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.147228 (E_RNA) where: Base-Base interactions energy: -893.702 where: short stacking energy: -388.993 Base-Backbone interact. energy: 0.188 local terms energy: -489.633211 where: bonds (distance) C4'-P energy: -103.445 bonds (distance) P-C4' energy: -117.788 flat angles C4'-P-C4' energy: -100.416 flat angles P-C4'-P energy: -88.106 tors. eta vs tors. theta energy: -79.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1027.965279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.965279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.965279 (E_RNA) where: Base-Base interactions energy: -594.515 where: short stacking energy: -263.233 Base-Backbone interact. energy: -1.354 local terms energy: -432.096041 where: bonds (distance) C4'-P energy: -101.068 bonds (distance) P-C4' energy: -123.539 flat angles C4'-P-C4' energy: -113.167 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -33.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2616.179700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.179700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.179700 (E_RNA) where: Base-Base interactions energy: -1861.813 where: short stacking energy: -779.882 Base-Backbone interact. energy: -4.080 local terms energy: -750.286765 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -144.731 flat angles C4'-P-C4' energy: -153.216 flat angles P-C4'-P energy: -98.262 tors. eta vs tors. theta energy: -234.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2535.659876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.659876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.659876 (E_RNA) where: Base-Base interactions energy: -1777.118 where: short stacking energy: -748.954 Base-Backbone interact. energy: -2.997 local terms energy: -755.544397 where: bonds (distance) C4'-P energy: -130.540 bonds (distance) P-C4' energy: -123.478 flat angles C4'-P-C4' energy: -153.947 flat angles P-C4'-P energy: -117.030 tors. eta vs tors. theta energy: -230.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2504.891951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.891951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.891951 (E_RNA) where: Base-Base interactions energy: -1797.867 where: short stacking energy: -726.523 Base-Backbone interact. energy: -0.948 local terms energy: -706.076975 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -118.062 flat angles C4'-P-C4' energy: -144.846 flat angles P-C4'-P energy: -103.203 tors. eta vs tors. theta energy: -213.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2384.912263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.912263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.912263 (E_RNA) where: Base-Base interactions energy: -1708.061 where: short stacking energy: -697.153 Base-Backbone interact. energy: 0.367 local terms energy: -677.217862 where: bonds (distance) C4'-P energy: -98.858 bonds (distance) P-C4' energy: -121.813 flat angles C4'-P-C4' energy: -150.312 flat angles P-C4'-P energy: -97.997 tors. eta vs tors. theta energy: -208.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2320.117484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.117484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.117484 (E_RNA) where: Base-Base interactions energy: -1663.040 where: short stacking energy: -683.115 Base-Backbone interact. energy: -1.625 local terms energy: -655.452244 where: bonds (distance) C4'-P energy: -102.106 bonds (distance) P-C4' energy: -105.468 flat angles C4'-P-C4' energy: -146.820 flat angles P-C4'-P energy: -91.021 tors. eta vs tors. theta energy: -210.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2174.324178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.324178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.324178 (E_RNA) where: Base-Base interactions energy: -1509.964 where: short stacking energy: -634.953 Base-Backbone interact. energy: -0.555 local terms energy: -663.805745 where: bonds (distance) C4'-P energy: -122.543 bonds (distance) P-C4' energy: -117.655 flat angles C4'-P-C4' energy: -141.361 flat angles P-C4'-P energy: -95.767 tors. eta vs tors. theta energy: -186.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2017.077265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.077265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.077265 (E_RNA) where: Base-Base interactions energy: -1402.442 where: short stacking energy: -561.300 Base-Backbone interact. energy: -0.928 local terms energy: -613.707449 where: bonds (distance) C4'-P energy: -125.117 bonds (distance) P-C4' energy: -117.483 flat angles C4'-P-C4' energy: -131.556 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -159.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1889.614288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.614288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.614288 (E_RNA) where: Base-Base interactions energy: -1277.127 where: short stacking energy: -552.287 Base-Backbone interact. energy: -2.542 local terms energy: -609.945212 where: bonds (distance) C4'-P energy: -113.870 bonds (distance) P-C4' energy: -104.924 flat angles C4'-P-C4' energy: -136.239 flat angles P-C4'-P energy: -105.713 tors. eta vs tors. theta energy: -149.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1440.338511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.338511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.338511 (E_RNA) where: Base-Base interactions energy: -951.739 where: short stacking energy: -417.619 Base-Backbone interact. energy: -1.989 local terms energy: -486.611010 where: bonds (distance) C4'-P energy: -95.807 bonds (distance) P-C4' energy: -117.575 flat angles C4'-P-C4' energy: -112.948 flat angles P-C4'-P energy: -73.624 tors. eta vs tors. theta energy: -86.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -993.420867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.420867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.420867 (E_RNA) where: Base-Base interactions energy: -599.200 where: short stacking energy: -259.887 Base-Backbone interact. energy: 3.314 local terms energy: -397.534930 where: bonds (distance) C4'-P energy: -99.616 bonds (distance) P-C4' energy: -109.331 flat angles C4'-P-C4' energy: -90.885 flat angles P-C4'-P energy: -69.685 tors. eta vs tors. theta energy: -28.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2583.926251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.926251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.926251 (E_RNA) where: Base-Base interactions energy: -1808.815 where: short stacking energy: -755.391 Base-Backbone interact. energy: -0.537 local terms energy: -774.574347 where: bonds (distance) C4'-P energy: -133.941 bonds (distance) P-C4' energy: -141.264 flat angles C4'-P-C4' energy: -154.886 flat angles P-C4'-P energy: -109.231 tors. eta vs tors. theta energy: -235.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2539.080313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.080313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.080313 (E_RNA) where: Base-Base interactions energy: -1793.063 where: short stacking energy: -712.105 Base-Backbone interact. energy: -2.025 local terms energy: -743.992092 where: bonds (distance) C4'-P energy: -114.727 bonds (distance) P-C4' energy: -145.826 flat angles C4'-P-C4' energy: -155.601 flat angles P-C4'-P energy: -114.858 tors. eta vs tors. theta energy: -212.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2472.803874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.803874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.803874 (E_RNA) where: Base-Base interactions energy: -1767.508 where: short stacking energy: -712.186 Base-Backbone interact. energy: -4.036 local terms energy: -701.259724 where: bonds (distance) C4'-P energy: -125.633 bonds (distance) P-C4' energy: -122.374 flat angles C4'-P-C4' energy: -145.601 flat angles P-C4'-P energy: -90.573 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: 4, replica: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2395.289882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.289882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.289882 (E_RNA) where: Base-Base interactions energy: -1713.845 where: short stacking energy: -710.400 Base-Backbone interact. energy: 0.156 local terms energy: -681.601142 where: bonds (distance) C4'-P energy: -115.053 bonds (distance) P-C4' energy: -116.225 flat angles C4'-P-C4' energy: -141.387 flat angles P-C4'-P energy: -96.212 tors. eta vs tors. theta energy: -212.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2352.570736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.570736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.570736 (E_RNA) where: Base-Base interactions energy: -1691.955 where: short stacking energy: -707.201 Base-Backbone interact. energy: 3.915 local terms energy: -664.531212 where: bonds (distance) C4'-P energy: -104.370 bonds (distance) P-C4' energy: -110.108 flat angles C4'-P-C4' energy: -145.256 flat angles P-C4'-P energy: -105.349 tors. eta vs tors. theta energy: -199.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2133.915019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.915019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.915019 (E_RNA) where: Base-Base interactions energy: -1492.462 where: short stacking energy: -627.692 Base-Backbone interact. energy: 2.467 local terms energy: -643.919743 where: bonds (distance) C4'-P energy: -118.146 bonds (distance) P-C4' energy: -107.582 flat angles C4'-P-C4' energy: -136.475 flat angles P-C4'-P energy: -95.358 tors. eta vs tors. theta energy: -186.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1969.486680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.486680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.486680 (E_RNA) where: Base-Base interactions energy: -1371.485 where: short stacking energy: -545.768 Base-Backbone interact. energy: 0.996 local terms energy: -598.997818 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -120.977 flat angles C4'-P-C4' energy: -126.862 flat angles P-C4'-P energy: -79.148 tors. eta vs tors. theta energy: -150.855 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: 279 Temperature: 1.250000 Total energy: -1952.806700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.806700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.806700 (E_RNA) where: Base-Base interactions energy: -1336.380 where: short stacking energy: -547.328 Base-Backbone interact. energy: -0.949 local terms energy: -615.477792 where: bonds (distance) C4'-P energy: -113.540 bonds (distance) P-C4' energy: -126.351 flat angles C4'-P-C4' energy: -114.937 flat angles P-C4'-P energy: -87.641 tors. eta vs tors. theta energy: -173.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1356.428325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.428325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.428325 (E_RNA) where: Base-Base interactions energy: -860.899 where: short stacking energy: -390.498 Base-Backbone interact. energy: 3.684 local terms energy: -499.213290 where: bonds (distance) C4'-P energy: -112.119 bonds (distance) P-C4' energy: -106.878 flat angles C4'-P-C4' energy: -112.777 flat angles P-C4'-P energy: -81.924 tors. eta vs tors. theta energy: -85.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -989.037262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.037262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.037262 (E_RNA) where: Base-Base interactions energy: -575.871 where: short stacking energy: -267.562 Base-Backbone interact. energy: -3.072 local terms energy: -410.094425 where: bonds (distance) C4'-P energy: -113.542 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -93.105 flat angles P-C4'-P energy: -48.194 tors. eta vs tors. theta energy: -33.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2591.742130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.742130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.742130 (E_RNA) where: Base-Base interactions energy: -1832.980 where: short stacking energy: -765.554 Base-Backbone interact. energy: -1.935 local terms energy: -756.827083 where: bonds (distance) C4'-P energy: -125.254 bonds (distance) P-C4' energy: -134.248 flat angles C4'-P-C4' energy: -156.377 flat angles P-C4'-P energy: -99.783 tors. eta vs tors. theta energy: -241.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2548.978662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.978662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.978662 (E_RNA) where: Base-Base interactions energy: -1802.359 where: short stacking energy: -733.930 Base-Backbone interact. energy: 0.062 local terms energy: -746.682118 where: bonds (distance) C4'-P energy: -131.215 bonds (distance) P-C4' energy: -136.391 flat angles C4'-P-C4' energy: -161.438 flat angles P-C4'-P energy: -109.270 tors. eta vs tors. theta energy: -208.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2505.195058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.195058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.195058 (E_RNA) where: Base-Base interactions energy: -1769.317 where: short stacking energy: -708.493 Base-Backbone interact. energy: -1.943 local terms energy: -733.934652 where: bonds (distance) C4'-P energy: -131.026 bonds (distance) P-C4' energy: -126.695 flat angles C4'-P-C4' energy: -158.832 flat angles P-C4'-P energy: -103.453 tors. eta vs tors. theta energy: -213.929 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: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2415.075729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.075729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.075729 (E_RNA) where: Base-Base interactions energy: -1720.341 where: short stacking energy: -716.233 Base-Backbone interact. energy: -1.411 local terms energy: -693.322865 where: bonds (distance) C4'-P energy: -107.145 bonds (distance) P-C4' energy: -123.461 flat angles C4'-P-C4' energy: -142.188 flat angles P-C4'-P energy: -99.808 tors. eta vs tors. theta energy: -220.721 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: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2327.757610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.757610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.757610 (E_RNA) where: Base-Base interactions energy: -1629.444 where: short stacking energy: -675.874 Base-Backbone interact. energy: -1.614 local terms energy: -696.699297 where: bonds (distance) C4'-P energy: -124.739 bonds (distance) P-C4' energy: -128.606 flat angles C4'-P-C4' energy: -140.999 flat angles P-C4'-P energy: -93.545 tors. eta vs tors. theta energy: -208.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2246.494345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.494345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.494345 (E_RNA) where: Base-Base interactions energy: -1603.847 where: short stacking energy: -660.252 Base-Backbone interact. energy: -1.768 local terms energy: -640.879570 where: bonds (distance) C4'-P energy: -113.645 bonds (distance) P-C4' energy: -117.925 flat angles C4'-P-C4' energy: -129.840 flat angles P-C4'-P energy: -85.401 tors. eta vs tors. theta energy: -194.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2044.361565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.361565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.361565 (E_RNA) where: Base-Base interactions energy: -1465.982 where: short stacking energy: -574.871 Base-Backbone interact. energy: 0.159 local terms energy: -578.537854 where: bonds (distance) C4'-P energy: -100.823 bonds (distance) P-C4' energy: -107.332 flat angles C4'-P-C4' energy: -130.621 flat angles P-C4'-P energy: -80.945 tors. eta vs tors. theta energy: -158.817 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: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1917.109599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.109599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.109599 (E_RNA) where: Base-Base interactions energy: -1344.039 where: short stacking energy: -559.581 Base-Backbone interact. energy: 2.064 local terms energy: -575.134606 where: bonds (distance) C4'-P energy: -104.678 bonds (distance) P-C4' energy: -100.799 flat angles C4'-P-C4' energy: -134.967 flat angles P-C4'-P energy: -86.035 tors. eta vs tors. theta energy: -148.655 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: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1420.208092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.208092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.208092 (E_RNA) where: Base-Base interactions energy: -924.129 where: short stacking energy: -385.526 Base-Backbone interact. energy: -2.513 local terms energy: -493.566904 where: bonds (distance) C4'-P energy: -103.253 bonds (distance) P-C4' energy: -114.184 flat angles C4'-P-C4' energy: -130.152 flat angles P-C4'-P energy: -62.036 tors. eta vs tors. theta energy: -83.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -968.982366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.982366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.982366 (E_RNA) where: Base-Base interactions energy: -579.019 where: short stacking energy: -278.768 Base-Backbone interact. energy: 0.249 local terms energy: -390.211968 where: bonds (distance) C4'-P energy: -127.768 bonds (distance) P-C4' energy: -103.381 flat angles C4'-P-C4' energy: -87.770 flat angles P-C4'-P energy: -55.826 tors. eta vs tors. theta energy: -15.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2591.876423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.876423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.876423 (E_RNA) where: Base-Base interactions energy: -1823.008 where: short stacking energy: -762.357 Base-Backbone interact. energy: -2.148 local terms energy: -766.720303 where: bonds (distance) C4'-P energy: -133.273 bonds (distance) P-C4' energy: -135.950 flat angles C4'-P-C4' energy: -159.994 flat angles P-C4'-P energy: -99.826 tors. eta vs tors. theta energy: -237.677 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: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2542.666865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.666865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.666865 (E_RNA) where: Base-Base interactions energy: -1805.063 where: short stacking energy: -732.300 Base-Backbone interact. energy: -5.138 local terms energy: -732.465896 where: bonds (distance) C4'-P energy: -135.891 bonds (distance) P-C4' energy: -126.269 flat angles C4'-P-C4' energy: -149.315 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -215.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2474.423290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.423290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.423290 (E_RNA) where: Base-Base interactions energy: -1778.328 where: short stacking energy: -725.786 Base-Backbone interact. energy: 0.454 local terms energy: -696.549166 where: bonds (distance) C4'-P energy: -131.498 bonds (distance) P-C4' energy: -112.375 flat angles C4'-P-C4' energy: -149.645 flat angles P-C4'-P energy: -94.705 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: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2424.875824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.875824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.875824 (E_RNA) where: Base-Base interactions energy: -1712.267 where: short stacking energy: -708.199 Base-Backbone interact. energy: -0.949 local terms energy: -711.659982 where: bonds (distance) C4'-P energy: -111.476 bonds (distance) P-C4' energy: -132.409 flat angles C4'-P-C4' energy: -148.195 flat angles P-C4'-P energy: -95.517 tors. eta vs tors. theta energy: -224.064 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: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2313.930614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.930614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.930614 (E_RNA) where: Base-Base interactions energy: -1642.050 where: short stacking energy: -663.995 Base-Backbone interact. energy: -2.608 local terms energy: -669.272953 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -117.092 flat angles C4'-P-C4' energy: -146.622 flat angles P-C4'-P energy: -102.281 tors. eta vs tors. theta energy: -192.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2226.683691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.683691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.683691 (E_RNA) where: Base-Base interactions energy: -1601.535 where: short stacking energy: -652.270 Base-Backbone interact. energy: 5.495 local terms energy: -630.644070 where: bonds (distance) C4'-P energy: -114.585 bonds (distance) P-C4' energy: -106.647 flat angles C4'-P-C4' energy: -139.250 flat angles P-C4'-P energy: -86.790 tors. eta vs tors. theta energy: -183.373 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: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1976.568494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.568494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.568494 (E_RNA) where: Base-Base interactions energy: -1428.473 where: short stacking energy: -584.615 Base-Backbone interact. energy: -0.245 local terms energy: -547.851087 where: bonds (distance) C4'-P energy: -89.222 bonds (distance) P-C4' energy: -100.309 flat angles C4'-P-C4' energy: -122.917 flat angles P-C4'-P energy: -79.377 tors. eta vs tors. theta energy: -156.026 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: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1876.142178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.142178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.142178 (E_RNA) where: Base-Base interactions energy: -1288.749 where: short stacking energy: -551.783 Base-Backbone interact. energy: 1.520 local terms energy: -588.913796 where: bonds (distance) C4'-P energy: -99.231 bonds (distance) P-C4' energy: -102.746 flat angles C4'-P-C4' energy: -131.899 flat angles P-C4'-P energy: -93.662 tors. eta vs tors. theta energy: -161.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1452.481310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.481310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.481310 (E_RNA) where: Base-Base interactions energy: -985.791 where: short stacking energy: -410.728 Base-Backbone interact. energy: -0.727 local terms energy: -465.962545 where: bonds (distance) C4'-P energy: -99.362 bonds (distance) P-C4' energy: -110.741 flat angles C4'-P-C4' energy: -107.198 flat angles P-C4'-P energy: -70.716 tors. eta vs tors. theta energy: -77.946 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: 281 Temperature: 1.350000 Total energy: -1083.593318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.593318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.593318 (E_RNA) where: Base-Base interactions energy: -675.094 where: short stacking energy: -286.635 Base-Backbone interact. energy: -2.835 local terms energy: -405.664243 where: bonds (distance) C4'-P energy: -106.604 bonds (distance) P-C4' energy: -114.014 flat angles C4'-P-C4' energy: -93.196 flat angles P-C4'-P energy: -73.630 tors. eta vs tors. theta energy: -18.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2573.272533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.272533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.272533 (E_RNA) where: Base-Base interactions energy: -1800.884 where: short stacking energy: -767.424 Base-Backbone interact. energy: -1.355 local terms energy: -771.033963 where: bonds (distance) C4'-P energy: -124.854 bonds (distance) P-C4' energy: -132.871 flat angles C4'-P-C4' energy: -157.529 flat angles P-C4'-P energy: -109.770 tors. eta vs tors. theta energy: -246.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2537.389585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.389585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.389585 (E_RNA) where: Base-Base interactions energy: -1784.284 where: short stacking energy: -751.295 Base-Backbone interact. energy: -2.548 local terms energy: -750.556787 where: bonds (distance) C4'-P energy: -126.730 bonds (distance) P-C4' energy: -133.716 flat angles C4'-P-C4' energy: -155.191 flat angles P-C4'-P energy: -121.608 tors. eta vs tors. theta energy: -213.312 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: 282 Temperature: 1.000000 Total energy: -2487.213395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.213395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.213395 (E_RNA) where: Base-Base interactions energy: -1789.557 where: short stacking energy: -715.474 Base-Backbone interact. energy: -1.888 local terms energy: -695.768716 where: bonds (distance) C4'-P energy: -118.899 bonds (distance) P-C4' energy: -121.914 flat angles C4'-P-C4' energy: -157.928 flat angles P-C4'-P energy: -91.616 tors. eta vs tors. theta energy: -205.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2433.263505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.263505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.263505 (E_RNA) where: Base-Base interactions energy: -1723.651 where: short stacking energy: -715.257 Base-Backbone interact. energy: -2.329 local terms energy: -707.284017 where: bonds (distance) C4'-P energy: -111.984 bonds (distance) P-C4' energy: -131.748 flat angles C4'-P-C4' energy: -143.713 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -216.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2339.021370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.021370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.021370 (E_RNA) where: Base-Base interactions energy: -1672.396 where: short stacking energy: -678.190 Base-Backbone interact. energy: 0.101 local terms energy: -666.726700 where: bonds (distance) C4'-P energy: -121.831 bonds (distance) P-C4' energy: -114.985 flat angles C4'-P-C4' energy: -135.713 flat angles P-C4'-P energy: -89.981 tors. eta vs tors. theta energy: -204.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2208.278312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.278312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.278312 (E_RNA) where: Base-Base interactions energy: -1560.364 where: short stacking energy: -660.794 Base-Backbone interact. energy: 4.506 local terms energy: -652.420450 where: bonds (distance) C4'-P energy: -121.708 bonds (distance) P-C4' energy: -103.478 flat angles C4'-P-C4' energy: -138.444 flat angles P-C4'-P energy: -93.507 tors. eta vs tors. theta energy: -195.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1974.760335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.760335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.760335 (E_RNA) where: Base-Base interactions energy: -1367.377 where: short stacking energy: -553.823 Base-Backbone interact. energy: -3.199 local terms energy: -604.185134 where: bonds (distance) C4'-P energy: -104.642 bonds (distance) P-C4' energy: -128.789 flat angles C4'-P-C4' energy: -137.331 flat angles P-C4'-P energy: -77.378 tors. eta vs tors. theta energy: -156.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1881.020725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.020725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.020725 (E_RNA) where: Base-Base interactions energy: -1289.730 where: short stacking energy: -549.867 Base-Backbone interact. energy: -1.353 local terms energy: -589.937455 where: bonds (distance) C4'-P energy: -116.430 bonds (distance) P-C4' energy: -127.312 flat angles C4'-P-C4' energy: -128.289 flat angles P-C4'-P energy: -73.254 tors. eta vs tors. theta energy: -144.652 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: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1454.462381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.462381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.462381 (E_RNA) where: Base-Base interactions energy: -951.840 where: short stacking energy: -399.774 Base-Backbone interact. energy: 0.527 local terms energy: -503.149094 where: bonds (distance) C4'-P energy: -119.761 bonds (distance) P-C4' energy: -109.718 flat angles C4'-P-C4' energy: -122.513 flat angles P-C4'-P energy: -61.735 tors. eta vs tors. theta energy: -89.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1081.139753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.139753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.139753 (E_RNA) where: Base-Base interactions energy: -660.372 where: short stacking energy: -313.198 Base-Backbone interact. energy: 8.474 local terms energy: -429.241762 where: bonds (distance) C4'-P energy: -107.441 bonds (distance) P-C4' energy: -116.722 flat angles C4'-P-C4' energy: -92.167 flat angles P-C4'-P energy: -71.028 tors. eta vs tors. theta energy: -41.883 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: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2587.954483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.954483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.954483 (E_RNA) where: Base-Base interactions energy: -1820.437 where: short stacking energy: -759.784 Base-Backbone interact. energy: -2.425 local terms energy: -765.092043 where: bonds (distance) C4'-P energy: -132.471 bonds (distance) P-C4' energy: -128.145 flat angles C4'-P-C4' energy: -157.164 flat angles P-C4'-P energy: -111.194 tors. eta vs tors. theta energy: -236.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2561.047514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.047514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.047514 (E_RNA) where: Base-Base interactions energy: -1789.933 where: short stacking energy: -748.418 Base-Backbone interact. energy: -0.996 local terms energy: -770.119053 where: bonds (distance) C4'-P energy: -136.328 bonds (distance) P-C4' energy: -141.227 flat angles C4'-P-C4' energy: -154.277 flat angles P-C4'-P energy: -112.637 tors. eta vs tors. theta energy: -225.650 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: 1 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2515.156180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.156180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.156180 (E_RNA) where: Base-Base interactions energy: -1774.128 where: short stacking energy: -732.253 Base-Backbone interact. energy: -1.147 local terms energy: -739.881024 where: bonds (distance) C4'-P energy: -143.647 bonds (distance) P-C4' energy: -120.165 flat angles C4'-P-C4' energy: -158.176 flat angles P-C4'-P energy: -96.897 tors. eta vs tors. theta energy: -220.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2402.992911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.992911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.992911 (E_RNA) where: Base-Base interactions energy: -1714.542 where: short stacking energy: -699.221 Base-Backbone interact. energy: -2.777 local terms energy: -685.673443 where: bonds (distance) C4'-P energy: -112.045 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -96.160 tors. eta vs tors. theta energy: -216.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2359.460242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.460242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.460242 (E_RNA) where: Base-Base interactions energy: -1686.630 where: short stacking energy: -690.099 Base-Backbone interact. energy: -0.884 local terms energy: -671.945867 where: bonds (distance) C4'-P energy: -106.032 bonds (distance) P-C4' energy: -107.683 flat angles C4'-P-C4' energy: -153.838 flat angles P-C4'-P energy: -95.209 tors. eta vs tors. theta energy: -209.184 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: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2227.900701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.900701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.900701 (E_RNA) where: Base-Base interactions energy: -1573.818 where: short stacking energy: -640.301 Base-Backbone interact. energy: -2.772 local terms energy: -651.310755 where: bonds (distance) C4'-P energy: -107.378 bonds (distance) P-C4' energy: -113.962 flat angles C4'-P-C4' energy: -148.572 flat angles P-C4'-P energy: -97.651 tors. eta vs tors. theta energy: -183.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1944.797516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.797516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.797516 (E_RNA) where: Base-Base interactions energy: -1370.367 where: short stacking energy: -558.207 Base-Backbone interact. energy: -0.327 local terms energy: -574.103728 where: bonds (distance) C4'-P energy: -104.193 bonds (distance) P-C4' energy: -100.385 flat angles C4'-P-C4' energy: -131.360 flat angles P-C4'-P energy: -82.739 tors. eta vs tors. theta energy: -155.427 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: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1829.723759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.723759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.723759 (E_RNA) where: Base-Base interactions energy: -1234.213 where: short stacking energy: -525.019 Base-Backbone interact. energy: 2.863 local terms energy: -598.372812 where: bonds (distance) C4'-P energy: -105.445 bonds (distance) P-C4' energy: -129.882 flat angles C4'-P-C4' energy: -128.429 flat angles P-C4'-P energy: -78.095 tors. eta vs tors. theta energy: -156.523 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: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1401.704487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.704487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.704487 (E_RNA) where: Base-Base interactions energy: -933.020 where: short stacking energy: -422.932 Base-Backbone interact. energy: 0.718 local terms energy: -469.403389 where: bonds (distance) C4'-P energy: -83.751 bonds (distance) P-C4' energy: -123.015 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -71.485 tors. eta vs tors. theta energy: -93.703 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: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1055.079698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.079698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.079698 (E_RNA) where: Base-Base interactions energy: -641.281 where: short stacking energy: -281.340 Base-Backbone interact. energy: 1.811 local terms energy: -415.609321 where: bonds (distance) C4'-P energy: -108.267 bonds (distance) P-C4' energy: -96.349 flat angles C4'-P-C4' energy: -110.065 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: -29.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2615.764599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.764599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.764599 (E_RNA) where: Base-Base interactions energy: -1836.706 where: short stacking energy: -759.298 Base-Backbone interact. energy: -2.789 local terms energy: -776.269455 where: bonds (distance) C4'-P energy: -140.428 bonds (distance) P-C4' energy: -134.633 flat angles C4'-P-C4' energy: -158.872 flat angles P-C4'-P energy: -105.275 tors. eta vs tors. theta energy: -237.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2540.245259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.245259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.245259 (E_RNA) where: Base-Base interactions energy: -1801.270 where: short stacking energy: -755.081 Base-Backbone interact. energy: 4.093 local terms energy: -743.067487 where: bonds (distance) C4'-P energy: -130.186 bonds (distance) P-C4' energy: -133.801 flat angles C4'-P-C4' energy: -150.849 flat angles P-C4'-P energy: -95.097 tors. eta vs tors. theta energy: -233.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2499.980867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.980867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.980867 (E_RNA) where: Base-Base interactions energy: -1770.561 where: short stacking energy: -723.199 Base-Backbone interact. energy: -1.672 local terms energy: -727.747291 where: bonds (distance) C4'-P energy: -117.395 bonds (distance) P-C4' energy: -130.835 flat angles C4'-P-C4' energy: -160.156 flat angles P-C4'-P energy: -105.212 tors. eta vs tors. theta energy: -214.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2425.178460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.178460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.178460 (E_RNA) where: Base-Base interactions energy: -1716.500 where: short stacking energy: -713.307 Base-Backbone interact. energy: -2.526 local terms energy: -706.152567 where: bonds (distance) C4'-P energy: -124.437 bonds (distance) P-C4' energy: -132.613 flat angles C4'-P-C4' energy: -132.097 flat angles P-C4'-P energy: -99.478 tors. eta vs tors. theta energy: -217.527 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: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2312.265009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.265009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.265009 (E_RNA) where: Base-Base interactions energy: -1619.981 where: short stacking energy: -665.920 Base-Backbone interact. energy: -1.104 local terms energy: -691.179847 where: bonds (distance) C4'-P energy: -114.152 bonds (distance) P-C4' energy: -128.452 flat angles C4'-P-C4' energy: -154.031 flat angles P-C4'-P energy: -99.453 tors. eta vs tors. theta energy: -195.092 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: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2284.770577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.770577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.770577 (E_RNA) where: Base-Base interactions energy: -1638.639 where: short stacking energy: -662.278 Base-Backbone interact. energy: 0.768 local terms energy: -646.899525 where: bonds (distance) C4'-P energy: -112.826 bonds (distance) P-C4' energy: -97.213 flat angles C4'-P-C4' energy: -143.162 flat angles P-C4'-P energy: -91.805 tors. eta vs tors. theta energy: -201.892 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: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2042.474675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.474675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.474675 (E_RNA) where: Base-Base interactions energy: -1436.787 where: short stacking energy: -576.002 Base-Backbone interact. energy: 3.689 local terms energy: -609.376454 where: bonds (distance) C4'-P energy: -127.412 bonds (distance) P-C4' energy: -115.620 flat angles C4'-P-C4' energy: -121.248 flat angles P-C4'-P energy: -98.470 tors. eta vs tors. theta energy: -146.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1816.452833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.452833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.452833 (E_RNA) where: Base-Base interactions energy: -1262.367 where: short stacking energy: -527.920 Base-Backbone interact. energy: 4.939 local terms energy: -559.024905 where: bonds (distance) C4'-P energy: -113.275 bonds (distance) P-C4' energy: -104.772 flat angles C4'-P-C4' energy: -131.621 flat angles P-C4'-P energy: -76.359 tors. eta vs tors. theta energy: -132.998 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: 9, replica: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1516.505286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.505286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.505286 (E_RNA) where: Base-Base interactions energy: -986.668 where: short stacking energy: -436.342 Base-Backbone interact. energy: 1.029 local terms energy: -530.866256 where: bonds (distance) C4'-P energy: -110.079 bonds (distance) P-C4' energy: -119.061 flat angles C4'-P-C4' energy: -131.468 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -115.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1132.141293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.141293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.141293 (E_RNA) where: Base-Base interactions energy: -706.975 where: short stacking energy: -306.029 Base-Backbone interact. energy: -4.472 local terms energy: -420.693586 where: bonds (distance) C4'-P energy: -111.990 bonds (distance) P-C4' energy: -128.387 flat angles C4'-P-C4' energy: -95.584 flat angles P-C4'-P energy: -54.437 tors. eta vs tors. theta energy: -30.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2612.866060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.866060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.866060 (E_RNA) where: Base-Base interactions energy: -1853.891 where: short stacking energy: -744.789 Base-Backbone interact. energy: -2.808 local terms energy: -756.167097 where: bonds (distance) C4'-P energy: -129.519 bonds (distance) P-C4' energy: -124.342 flat angles C4'-P-C4' energy: -159.726 flat angles P-C4'-P energy: -113.316 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: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2541.168485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.168485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.168485 (E_RNA) where: Base-Base interactions energy: -1817.042 where: short stacking energy: -745.261 Base-Backbone interact. energy: -2.003 local terms energy: -722.123379 where: bonds (distance) C4'-P energy: -122.183 bonds (distance) P-C4' energy: -120.111 flat angles C4'-P-C4' energy: -150.141 flat angles P-C4'-P energy: -102.495 tors. eta vs tors. theta energy: -227.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2506.092747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.092747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.092747 (E_RNA) where: Base-Base interactions energy: -1750.471 where: short stacking energy: -723.036 Base-Backbone interact. energy: -1.466 local terms energy: -754.154918 where: bonds (distance) C4'-P energy: -119.319 bonds (distance) P-C4' energy: -136.575 flat angles C4'-P-C4' energy: -150.190 flat angles P-C4'-P energy: -111.658 tors. eta vs tors. theta energy: -236.413 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: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2393.145712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.145712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.145712 (E_RNA) where: Base-Base interactions energy: -1688.926 where: short stacking energy: -713.310 Base-Backbone interact. energy: -1.898 local terms energy: -702.321085 where: bonds (distance) C4'-P energy: -106.198 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -136.290 flat angles P-C4'-P energy: -104.492 tors. eta vs tors. theta energy: -216.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2326.424343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.424343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.424343 (E_RNA) where: Base-Base interactions energy: -1644.032 where: short stacking energy: -692.188 Base-Backbone interact. energy: -0.756 local terms energy: -681.636136 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -104.713 flat angles C4'-P-C4' energy: -148.164 flat angles P-C4'-P energy: -92.932 tors. eta vs tors. theta energy: -205.342 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: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2293.924551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.924551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.924551 (E_RNA) where: Base-Base interactions energy: -1627.612 where: short stacking energy: -647.967 Base-Backbone interact. energy: -2.658 local terms energy: -663.654487 where: bonds (distance) C4'-P energy: -107.455 bonds (distance) P-C4' energy: -114.086 flat angles C4'-P-C4' energy: -150.207 flat angles P-C4'-P energy: -92.755 tors. eta vs tors. theta energy: -199.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2063.819212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.819212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.819212 (E_RNA) where: Base-Base interactions energy: -1488.891 where: short stacking energy: -581.531 Base-Backbone interact. energy: -4.766 local terms energy: -570.162687 where: bonds (distance) C4'-P energy: -101.601 bonds (distance) P-C4' energy: -97.077 flat angles C4'-P-C4' energy: -121.019 flat angles P-C4'-P energy: -81.724 tors. eta vs tors. theta energy: -168.741 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: 285 Temperature: 1.250000 Total energy: -1857.483072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.483072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.483072 (E_RNA) where: Base-Base interactions energy: -1281.686 where: short stacking energy: -537.967 Base-Backbone interact. energy: 0.524 local terms energy: -576.321477 where: bonds (distance) C4'-P energy: -101.835 bonds (distance) P-C4' energy: -117.435 flat angles C4'-P-C4' energy: -119.103 flat angles P-C4'-P energy: -83.249 tors. eta vs tors. theta energy: -154.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1442.909747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.909747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.909747 (E_RNA) where: Base-Base interactions energy: -988.611 where: short stacking energy: -406.232 Base-Backbone interact. energy: 0.689 local terms energy: -454.987458 where: bonds (distance) C4'-P energy: -101.518 bonds (distance) P-C4' energy: -118.833 flat angles C4'-P-C4' energy: -117.270 flat angles P-C4'-P energy: -51.642 tors. eta vs tors. theta energy: -65.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1281.697318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.697318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.697318 (E_RNA) where: Base-Base interactions energy: -869.693 where: short stacking energy: -372.459 Base-Backbone interact. energy: -2.266 local terms energy: -409.738102 where: bonds (distance) C4'-P energy: -77.607 bonds (distance) P-C4' energy: -103.215 flat angles C4'-P-C4' energy: -117.789 flat angles P-C4'-P energy: -63.700 tors. eta vs tors. theta energy: -47.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2595.629655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.629655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.629655 (E_RNA) where: Base-Base interactions energy: -1827.652 where: short stacking energy: -766.152 Base-Backbone interact. energy: -1.858 local terms energy: -766.120110 where: bonds (distance) C4'-P energy: -130.015 bonds (distance) P-C4' energy: -132.038 flat angles C4'-P-C4' energy: -151.441 flat angles P-C4'-P energy: -122.880 tors. eta vs tors. theta energy: -229.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2551.644074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.644074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.644074 (E_RNA) where: Base-Base interactions energy: -1800.492 where: short stacking energy: -746.651 Base-Backbone interact. energy: 0.537 local terms energy: -751.688544 where: bonds (distance) C4'-P energy: -133.730 bonds (distance) P-C4' energy: -145.949 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -108.142 tors. eta vs tors. theta energy: -216.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2490.526277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.526277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.526277 (E_RNA) where: Base-Base interactions energy: -1754.673 where: short stacking energy: -741.081 Base-Backbone interact. energy: 1.391 local terms energy: -737.244265 where: bonds (distance) C4'-P energy: -123.398 bonds (distance) P-C4' energy: -139.433 flat angles C4'-P-C4' energy: -149.433 flat angles P-C4'-P energy: -107.475 tors. eta vs tors. theta energy: -217.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2414.959200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.959200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.959200 (E_RNA) where: Base-Base interactions energy: -1705.985 where: short stacking energy: -685.895 Base-Backbone interact. energy: -2.557 local terms energy: -706.416839 where: bonds (distance) C4'-P energy: -127.318 bonds (distance) P-C4' energy: -120.745 flat angles C4'-P-C4' energy: -147.403 flat angles P-C4'-P energy: -92.150 tors. eta vs tors. theta energy: -218.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2280.257474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.257474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.257474 (E_RNA) where: Base-Base interactions energy: -1616.563 where: short stacking energy: -664.338 Base-Backbone interact. energy: -0.199 local terms energy: -663.495780 where: bonds (distance) C4'-P energy: -117.601 bonds (distance) P-C4' energy: -104.445 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -106.027 tors. eta vs tors. theta energy: -199.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2236.223763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.223763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.223763 (E_RNA) where: Base-Base interactions energy: -1596.844 where: short stacking energy: -660.620 Base-Backbone interact. energy: -1.164 local terms energy: -638.215594 where: bonds (distance) C4'-P energy: -112.717 bonds (distance) P-C4' energy: -107.542 flat angles C4'-P-C4' energy: -142.778 flat angles P-C4'-P energy: -81.773 tors. eta vs tors. theta energy: -193.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2092.440705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.440705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.440705 (E_RNA) where: Base-Base interactions energy: -1468.199 where: short stacking energy: -575.595 Base-Backbone interact. energy: -0.378 local terms energy: -623.863645 where: bonds (distance) C4'-P energy: -107.970 bonds (distance) P-C4' energy: -125.502 flat angles C4'-P-C4' energy: -131.012 flat angles P-C4'-P energy: -93.621 tors. eta vs tors. theta energy: -165.758 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: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1843.559973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.559973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.559973 (E_RNA) where: Base-Base interactions energy: -1277.117 where: short stacking energy: -541.038 Base-Backbone interact. energy: 3.366 local terms energy: -569.809313 where: bonds (distance) C4'-P energy: -104.246 bonds (distance) P-C4' energy: -109.892 flat angles C4'-P-C4' energy: -124.385 flat angles P-C4'-P energy: -93.191 tors. eta vs tors. theta energy: -138.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1459.265041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.265041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.265041 (E_RNA) where: Base-Base interactions energy: -1000.381 where: short stacking energy: -438.356 Base-Backbone interact. energy: 0.098 local terms energy: -458.981559 where: bonds (distance) C4'-P energy: -84.455 bonds (distance) P-C4' energy: -118.119 flat angles C4'-P-C4' energy: -107.756 flat angles P-C4'-P energy: -64.736 tors. eta vs tors. theta energy: -83.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1248.717951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.717951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.717951 (E_RNA) where: Base-Base interactions energy: -784.220 where: short stacking energy: -348.536 Base-Backbone interact. energy: 2.391 local terms energy: -466.888718 where: bonds (distance) C4'-P energy: -117.923 bonds (distance) P-C4' energy: -108.637 flat angles C4'-P-C4' energy: -106.195 flat angles P-C4'-P energy: -75.010 tors. eta vs tors. theta energy: -59.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2593.025924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.025924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.025924 (E_RNA) where: Base-Base interactions energy: -1834.735 where: short stacking energy: -769.237 Base-Backbone interact. energy: -0.529 local terms energy: -757.761779 where: bonds (distance) C4'-P energy: -129.081 bonds (distance) P-C4' energy: -141.389 flat angles C4'-P-C4' energy: -154.115 flat angles P-C4'-P energy: -114.691 tors. eta vs tors. theta energy: -218.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2544.684329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.684329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.684329 (E_RNA) where: Base-Base interactions energy: -1789.447 where: short stacking energy: -739.113 Base-Backbone interact. energy: -3.230 local terms energy: -752.007106 where: bonds (distance) C4'-P energy: -130.431 bonds (distance) P-C4' energy: -137.780 flat angles C4'-P-C4' energy: -156.466 flat angles P-C4'-P energy: -103.931 tors. eta vs tors. theta energy: -223.399 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: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2488.634111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.634111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.634111 (E_RNA) where: Base-Base interactions energy: -1781.837 where: short stacking energy: -725.677 Base-Backbone interact. energy: -1.263 local terms energy: -705.534365 where: bonds (distance) C4'-P energy: -120.366 bonds (distance) P-C4' energy: -115.443 flat angles C4'-P-C4' energy: -154.485 flat angles P-C4'-P energy: -91.733 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: 4, replica: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2401.407728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.407728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.407728 (E_RNA) where: Base-Base interactions energy: -1705.161 where: short stacking energy: -674.859 Base-Backbone interact. energy: -2.075 local terms energy: -694.171772 where: bonds (distance) C4'-P energy: -109.480 bonds (distance) P-C4' energy: -127.622 flat angles C4'-P-C4' energy: -143.402 flat angles P-C4'-P energy: -109.558 tors. eta vs tors. theta energy: -204.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2313.181565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.181565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.181565 (E_RNA) where: Base-Base interactions energy: -1621.453 where: short stacking energy: -656.537 Base-Backbone interact. energy: 0.956 local terms energy: -692.684792 where: bonds (distance) C4'-P energy: -130.215 bonds (distance) P-C4' energy: -123.325 flat angles C4'-P-C4' energy: -138.708 flat angles P-C4'-P energy: -90.113 tors. eta vs tors. theta energy: -210.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2211.566969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.566969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.566969 (E_RNA) where: Base-Base interactions energy: -1573.365 where: short stacking energy: -605.386 Base-Backbone interact. energy: -3.510 local terms energy: -634.692188 where: bonds (distance) C4'-P energy: -115.434 bonds (distance) P-C4' energy: -123.073 flat angles C4'-P-C4' energy: -127.117 flat angles P-C4'-P energy: -84.137 tors. eta vs tors. theta energy: -184.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2091.300690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.300690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.300690 (E_RNA) where: Base-Base interactions energy: -1479.586 where: short stacking energy: -586.894 Base-Backbone interact. energy: 1.339 local terms energy: -613.053976 where: bonds (distance) C4'-P energy: -106.073 bonds (distance) P-C4' energy: -128.709 flat angles C4'-P-C4' energy: -132.991 flat angles P-C4'-P energy: -86.770 tors. eta vs tors. theta energy: -158.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1891.268428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.268428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.268428 (E_RNA) where: Base-Base interactions energy: -1314.155 where: short stacking energy: -563.534 Base-Backbone interact. energy: -1.117 local terms energy: -575.996932 where: bonds (distance) C4'-P energy: -99.617 bonds (distance) P-C4' energy: -108.453 flat angles C4'-P-C4' energy: -133.189 flat angles P-C4'-P energy: -71.419 tors. eta vs tors. theta energy: -163.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1496.995544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.995544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.995544 (E_RNA) where: Base-Base interactions energy: -1033.730 where: short stacking energy: -447.554 Base-Backbone interact. energy: -0.806 local terms energy: -462.459553 where: bonds (distance) C4'-P energy: -86.462 bonds (distance) P-C4' energy: -118.040 flat angles C4'-P-C4' energy: -104.419 flat angles P-C4'-P energy: -61.660 tors. eta vs tors. theta energy: -91.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1272.435144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.435144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.435144 (E_RNA) where: Base-Base interactions energy: -829.699 where: short stacking energy: -353.088 Base-Backbone interact. energy: 1.282 local terms energy: -444.018431 where: bonds (distance) C4'-P energy: -104.677 bonds (distance) P-C4' energy: -109.740 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: -66.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2624.817890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.817890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.817890 (E_RNA) where: Base-Base interactions energy: -1843.438 where: short stacking energy: -763.712 Base-Backbone interact. energy: -2.254 local terms energy: -779.126534 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -131.493 flat angles C4'-P-C4' energy: -170.478 flat angles P-C4'-P energy: -117.389 tors. eta vs tors. theta energy: -226.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2555.332873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.332873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.332873 (E_RNA) where: Base-Base interactions energy: -1800.962 where: short stacking energy: -759.427 Base-Backbone interact. energy: -2.120 local terms energy: -752.250591 where: bonds (distance) C4'-P energy: -128.373 bonds (distance) P-C4' energy: -136.503 flat angles C4'-P-C4' energy: -148.470 flat angles P-C4'-P energy: -109.836 tors. eta vs tors. theta energy: -229.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2460.148873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.148873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.148873 (E_RNA) where: Base-Base interactions energy: -1740.160 where: short stacking energy: -706.433 Base-Backbone interact. energy: 0.655 local terms energy: -720.644373 where: bonds (distance) C4'-P energy: -122.616 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -154.882 flat angles P-C4'-P energy: -96.356 tors. eta vs tors. theta energy: -214.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2379.910304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.910304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.910304 (E_RNA) where: Base-Base interactions energy: -1695.539 where: short stacking energy: -690.897 Base-Backbone interact. energy: -2.774 local terms energy: -681.597928 where: bonds (distance) C4'-P energy: -125.839 bonds (distance) P-C4' energy: -128.306 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -84.894 tors. eta vs tors. theta energy: -197.418 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: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2301.603201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.603201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.603201 (E_RNA) where: Base-Base interactions energy: -1618.012 where: short stacking energy: -676.304 Base-Backbone interact. energy: -1.273 local terms energy: -682.317814 where: bonds (distance) C4'-P energy: -130.798 bonds (distance) P-C4' energy: -123.751 flat angles C4'-P-C4' energy: -126.343 flat angles P-C4'-P energy: -100.235 tors. eta vs tors. theta energy: -201.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2236.078224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.078224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.078224 (E_RNA) where: Base-Base interactions energy: -1587.441 where: short stacking energy: -644.230 Base-Backbone interact. energy: -3.417 local terms energy: -645.220794 where: bonds (distance) C4'-P energy: -107.807 bonds (distance) P-C4' energy: -114.752 flat angles C4'-P-C4' energy: -140.848 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -190.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2141.684263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.684263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.684263 (E_RNA) where: Base-Base interactions energy: -1519.161 where: short stacking energy: -604.390 Base-Backbone interact. energy: 0.346 local terms energy: -622.868965 where: bonds (distance) C4'-P energy: -114.238 bonds (distance) P-C4' energy: -114.998 flat angles C4'-P-C4' energy: -131.978 flat angles P-C4'-P energy: -87.160 tors. eta vs tors. theta energy: -174.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1916.694702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.694702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.694702 (E_RNA) where: Base-Base interactions energy: -1321.033 where: short stacking energy: -576.451 Base-Backbone interact. energy: 1.441 local terms energy: -597.102811 where: bonds (distance) C4'-P energy: -107.346 bonds (distance) P-C4' energy: -115.066 flat angles C4'-P-C4' energy: -129.579 flat angles P-C4'-P energy: -81.936 tors. eta vs tors. theta energy: -163.176 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: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1535.576407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.576407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.576407 (E_RNA) where: Base-Base interactions energy: -1030.771 where: short stacking energy: -421.561 Base-Backbone interact. energy: 7.094 local terms energy: -511.899506 where: bonds (distance) C4'-P energy: -97.263 bonds (distance) P-C4' energy: -101.614 flat angles C4'-P-C4' energy: -124.585 flat angles P-C4'-P energy: -95.777 tors. eta vs tors. theta energy: -92.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1236.332234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.332234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.332234 (E_RNA) where: Base-Base interactions energy: -799.085 where: short stacking energy: -375.259 Base-Backbone interact. energy: 5.399 local terms energy: -442.646226 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -112.259 flat angles C4'-P-C4' energy: -111.529 flat angles P-C4'-P energy: -59.702 tors. eta vs tors. theta energy: -60.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2602.076902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.076902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.076902 (E_RNA) where: Base-Base interactions energy: -1867.923 where: short stacking energy: -775.695 Base-Backbone interact. energy: 0.295 local terms energy: -734.448392 where: bonds (distance) C4'-P energy: -114.425 bonds (distance) P-C4' energy: -138.058 flat angles C4'-P-C4' energy: -155.116 flat angles P-C4'-P energy: -107.044 tors. eta vs tors. theta energy: -219.805 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: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2553.377146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.377146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.377146 (E_RNA) where: Base-Base interactions energy: -1791.288 where: short stacking energy: -755.285 Base-Backbone interact. energy: -0.915 local terms energy: -761.173767 where: bonds (distance) C4'-P energy: -135.693 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -156.921 flat angles P-C4'-P energy: -101.191 tors. eta vs tors. theta energy: -229.622 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: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2476.032166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.032166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.032166 (E_RNA) where: Base-Base interactions energy: -1753.722 where: short stacking energy: -729.799 Base-Backbone interact. energy: 1.176 local terms energy: -723.486085 where: bonds (distance) C4'-P energy: -137.434 bonds (distance) P-C4' energy: -120.000 flat angles C4'-P-C4' energy: -149.360 flat angles P-C4'-P energy: -98.320 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: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2424.509623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.509623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.509623 (E_RNA) where: Base-Base interactions energy: -1679.932 where: short stacking energy: -705.683 Base-Backbone interact. energy: -4.057 local terms energy: -740.520442 where: bonds (distance) C4'-P energy: -131.784 bonds (distance) P-C4' energy: -127.501 flat angles C4'-P-C4' energy: -156.855 flat angles P-C4'-P energy: -113.457 tors. eta vs tors. theta energy: -210.924 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: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2327.515512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.515512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.515512 (E_RNA) where: Base-Base interactions energy: -1647.860 where: short stacking energy: -677.547 Base-Backbone interact. energy: 0.369 local terms energy: -680.023935 where: bonds (distance) C4'-P energy: -116.365 bonds (distance) P-C4' energy: -129.297 flat angles C4'-P-C4' energy: -150.382 flat angles P-C4'-P energy: -72.729 tors. eta vs tors. theta energy: -211.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2215.139784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.139784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.139784 (E_RNA) where: Base-Base interactions energy: -1578.487 where: short stacking energy: -634.217 Base-Backbone interact. energy: -1.863 local terms energy: -634.789448 where: bonds (distance) C4'-P energy: -119.568 bonds (distance) P-C4' energy: -121.520 flat angles C4'-P-C4' energy: -128.332 flat angles P-C4'-P energy: -79.721 tors. eta vs tors. theta energy: -185.648 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: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2173.953454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.953454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.953454 (E_RNA) where: Base-Base interactions energy: -1529.570 where: short stacking energy: -624.026 Base-Backbone interact. energy: -2.063 local terms energy: -642.320589 where: bonds (distance) C4'-P energy: -128.477 bonds (distance) P-C4' energy: -110.200 flat angles C4'-P-C4' energy: -129.433 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: -190.789 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: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1890.260275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.260275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.260275 (E_RNA) where: Base-Base interactions energy: -1296.212 where: short stacking energy: -531.636 Base-Backbone interact. energy: -1.594 local terms energy: -592.454036 where: bonds (distance) C4'-P energy: -124.274 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -132.748 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -146.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1469.542025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.542025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.542025 (E_RNA) where: Base-Base interactions energy: -992.401 where: short stacking energy: -396.087 Base-Backbone interact. energy: 6.964 local terms energy: -484.104752 where: bonds (distance) C4'-P energy: -104.080 bonds (distance) P-C4' energy: -130.040 flat angles C4'-P-C4' energy: -105.016 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -82.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1260.786734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.786734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.786734 (E_RNA) where: Base-Base interactions energy: -825.674 where: short stacking energy: -370.465 Base-Backbone interact. energy: 2.502 local terms energy: -437.614218 where: bonds (distance) C4'-P energy: -91.600 bonds (distance) P-C4' energy: -108.484 flat angles C4'-P-C4' energy: -115.514 flat angles P-C4'-P energy: -71.071 tors. eta vs tors. theta energy: -50.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2604.664677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.664677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.664677 (E_RNA) where: Base-Base interactions energy: -1838.647 where: short stacking energy: -745.893 Base-Backbone interact. energy: 0.008 local terms energy: -766.026142 where: bonds (distance) C4'-P energy: -135.198 bonds (distance) P-C4' energy: -143.241 flat angles C4'-P-C4' energy: -154.343 flat angles P-C4'-P energy: -109.244 tors. eta vs tors. theta energy: -224.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2523.463753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.463753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.463753 (E_RNA) where: Base-Base interactions energy: -1785.082 where: short stacking energy: -721.963 Base-Backbone interact. energy: -1.892 local terms energy: -736.490357 where: bonds (distance) C4'-P energy: -121.838 bonds (distance) P-C4' energy: -144.125 flat angles C4'-P-C4' energy: -160.623 flat angles P-C4'-P energy: -102.810 tors. eta vs tors. theta energy: -207.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2536.301624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.301624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.301624 (E_RNA) where: Base-Base interactions energy: -1791.636 where: short stacking energy: -750.389 Base-Backbone interact. energy: -1.549 local terms energy: -743.116256 where: bonds (distance) C4'-P energy: -138.199 bonds (distance) P-C4' energy: -126.552 flat angles C4'-P-C4' energy: -151.941 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -222.529 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: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2463.036914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.036914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.036914 (E_RNA) where: Base-Base interactions energy: -1735.706 where: short stacking energy: -724.503 Base-Backbone interact. energy: -3.616 local terms energy: -723.715333 where: bonds (distance) C4'-P energy: -119.906 bonds (distance) P-C4' energy: -127.548 flat angles C4'-P-C4' energy: -157.131 flat angles P-C4'-P energy: -97.428 tors. eta vs tors. theta energy: -221.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2361.176131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.176131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.176131 (E_RNA) where: Base-Base interactions energy: -1681.320 where: short stacking energy: -693.274 Base-Backbone interact. energy: -1.983 local terms energy: -677.873687 where: bonds (distance) C4'-P energy: -109.382 bonds (distance) P-C4' energy: -122.701 flat angles C4'-P-C4' energy: -146.095 flat angles P-C4'-P energy: -96.627 tors. eta vs tors. theta energy: -203.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2202.761608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.761608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.761608 (E_RNA) where: Base-Base interactions energy: -1537.079 where: short stacking energy: -633.551 Base-Backbone interact. energy: -1.909 local terms energy: -663.773895 where: bonds (distance) C4'-P energy: -117.622 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -148.206 flat angles P-C4'-P energy: -96.622 tors. eta vs tors. theta energy: -180.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2122.944136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.944136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.944136 (E_RNA) where: Base-Base interactions energy: -1512.306 where: short stacking energy: -633.270 Base-Backbone interact. energy: -2.086 local terms energy: -608.552252 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -117.582 flat angles C4'-P-C4' energy: -128.424 flat angles P-C4'-P energy: -84.586 tors. eta vs tors. theta energy: -185.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1950.607991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.607991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.607991 (E_RNA) where: Base-Base interactions energy: -1344.330 where: short stacking energy: -558.964 Base-Backbone interact. energy: -0.116 local terms energy: -606.162341 where: bonds (distance) C4'-P energy: -113.187 bonds (distance) P-C4' energy: -126.610 flat angles C4'-P-C4' energy: -132.940 flat angles P-C4'-P energy: -72.736 tors. eta vs tors. theta energy: -160.688 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: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1558.348956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.348956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.348956 (E_RNA) where: Base-Base interactions energy: -1037.044 where: short stacking energy: -426.148 Base-Backbone interact. energy: -4.420 local terms energy: -516.884462 where: bonds (distance) C4'-P energy: -101.873 bonds (distance) P-C4' energy: -121.866 flat angles C4'-P-C4' energy: -124.059 flat angles P-C4'-P energy: -79.394 tors. eta vs tors. theta energy: -89.692 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: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1197.170044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.170044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.170044 (E_RNA) where: Base-Base interactions energy: -784.433 where: short stacking energy: -352.992 Base-Backbone interact. energy: 4.899 local terms energy: -417.635471 where: bonds (distance) C4'-P energy: -102.612 bonds (distance) P-C4' energy: -94.756 flat angles C4'-P-C4' energy: -102.877 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: -60.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2597.071895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.071895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.071895 (E_RNA) where: Base-Base interactions energy: -1848.055 where: short stacking energy: -759.787 Base-Backbone interact. energy: -3.331 local terms energy: -745.685469 where: bonds (distance) C4'-P energy: -129.297 bonds (distance) P-C4' energy: -131.867 flat angles C4'-P-C4' energy: -164.048 flat angles P-C4'-P energy: -94.286 tors. eta vs tors. theta energy: -226.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2548.232461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.232461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.232461 (E_RNA) where: Base-Base interactions energy: -1790.139 where: short stacking energy: -754.969 Base-Backbone interact. energy: -3.309 local terms energy: -754.783982 where: bonds (distance) C4'-P energy: -140.578 bonds (distance) P-C4' energy: -135.709 flat angles C4'-P-C4' energy: -159.420 flat angles P-C4'-P energy: -105.190 tors. eta vs tors. theta energy: -213.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2476.277289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.277289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.277289 (E_RNA) where: Base-Base interactions energy: -1771.873 where: short stacking energy: -694.675 Base-Backbone interact. energy: 1.540 local terms energy: -705.944621 where: bonds (distance) C4'-P energy: -120.701 bonds (distance) P-C4' energy: -129.938 flat angles C4'-P-C4' energy: -142.306 flat angles P-C4'-P energy: -101.048 tors. eta vs tors. theta energy: -211.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2457.279115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.279115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.279115 (E_RNA) where: Base-Base interactions energy: -1726.099 where: short stacking energy: -696.217 Base-Backbone interact. energy: -2.098 local terms energy: -729.081910 where: bonds (distance) C4'-P energy: -123.725 bonds (distance) P-C4' energy: -131.841 flat angles C4'-P-C4' energy: -147.084 flat angles P-C4'-P energy: -103.297 tors. eta vs tors. theta energy: -223.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2325.822170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.822170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.822170 (E_RNA) where: Base-Base interactions energy: -1642.676 where: short stacking energy: -682.612 Base-Backbone interact. energy: 1.018 local terms energy: -684.164495 where: bonds (distance) C4'-P energy: -104.649 bonds (distance) P-C4' energy: -129.469 flat angles C4'-P-C4' energy: -147.463 flat angles P-C4'-P energy: -102.947 tors. eta vs tors. theta energy: -199.637 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: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2164.119199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.119199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.119199 (E_RNA) where: Base-Base interactions energy: -1555.510 where: short stacking energy: -632.918 Base-Backbone interact. energy: 3.299 local terms energy: -611.907549 where: bonds (distance) C4'-P energy: -104.543 bonds (distance) P-C4' energy: -107.829 flat angles C4'-P-C4' energy: -132.311 flat angles P-C4'-P energy: -92.374 tors. eta vs tors. theta energy: -174.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2128.684443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.684443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.684443 (E_RNA) where: Base-Base interactions energy: -1509.951 where: short stacking energy: -613.265 Base-Backbone interact. energy: -3.015 local terms energy: -615.718155 where: bonds (distance) C4'-P energy: -105.328 bonds (distance) P-C4' energy: -112.704 flat angles C4'-P-C4' energy: -137.061 flat angles P-C4'-P energy: -85.645 tors. eta vs tors. theta energy: -174.979 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: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1938.968436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.968436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.968436 (E_RNA) where: Base-Base interactions energy: -1357.201 where: short stacking energy: -566.742 Base-Backbone interact. energy: 1.648 local terms energy: -583.415798 where: bonds (distance) C4'-P energy: -121.858 bonds (distance) P-C4' energy: -99.849 flat angles C4'-P-C4' energy: -124.566 flat angles P-C4'-P energy: -69.055 tors. eta vs tors. theta energy: -168.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1580.660597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.660597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.660597 (E_RNA) where: Base-Base interactions energy: -1083.829 where: short stacking energy: -461.774 Base-Backbone interact. energy: 1.484 local terms energy: -498.315282 where: bonds (distance) C4'-P energy: -101.058 bonds (distance) P-C4' energy: -104.162 flat angles C4'-P-C4' energy: -125.976 flat angles P-C4'-P energy: -64.309 tors. eta vs tors. theta energy: -102.811 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: 291 Temperature: 1.350000 Total energy: -1181.038487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.038487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.038487 (E_RNA) where: Base-Base interactions energy: -763.144 where: short stacking energy: -329.111 Base-Backbone interact. energy: -0.249 local terms energy: -417.645007 where: bonds (distance) C4'-P energy: -112.549 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -95.166 flat angles P-C4'-P energy: -66.375 tors. eta vs tors. theta energy: -43.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2619.793103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.793103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.793103 (E_RNA) where: Base-Base interactions energy: -1878.496 where: short stacking energy: -755.977 Base-Backbone interact. energy: -1.981 local terms energy: -739.316425 where: bonds (distance) C4'-P energy: -129.741 bonds (distance) P-C4' energy: -121.408 flat angles C4'-P-C4' energy: -159.156 flat angles P-C4'-P energy: -113.730 tors. eta vs tors. theta energy: -215.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2539.115430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.115430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.115430 (E_RNA) where: Base-Base interactions energy: -1793.333 where: short stacking energy: -763.011 Base-Backbone interact. energy: 0.798 local terms energy: -746.580456 where: bonds (distance) C4'-P energy: -140.544 bonds (distance) P-C4' energy: -138.256 flat angles C4'-P-C4' energy: -141.774 flat angles P-C4'-P energy: -98.082 tors. eta vs tors. theta energy: -227.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2490.998597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.998597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.998597 (E_RNA) where: Base-Base interactions energy: -1757.115 where: short stacking energy: -691.348 Base-Backbone interact. energy: -2.339 local terms energy: -731.545365 where: bonds (distance) C4'-P energy: -129.944 bonds (distance) P-C4' energy: -140.349 flat angles C4'-P-C4' energy: -152.072 flat angles P-C4'-P energy: -93.217 tors. eta vs tors. theta energy: -215.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2449.045848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.045848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.045848 (E_RNA) where: Base-Base interactions energy: -1739.823 where: short stacking energy: -730.690 Base-Backbone interact. energy: -0.680 local terms energy: -708.543074 where: bonds (distance) C4'-P energy: -114.863 bonds (distance) P-C4' energy: -125.332 flat angles C4'-P-C4' energy: -143.445 flat angles P-C4'-P energy: -95.551 tors. eta vs tors. theta energy: -229.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2365.167287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.167287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.167287 (E_RNA) where: Base-Base interactions energy: -1669.202 where: short stacking energy: -691.268 Base-Backbone interact. energy: -0.047 local terms energy: -695.918209 where: bonds (distance) C4'-P energy: -109.618 bonds (distance) P-C4' energy: -125.855 flat angles C4'-P-C4' energy: -157.718 flat angles P-C4'-P energy: -97.989 tors. eta vs tors. theta energy: -204.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2265.978911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.978911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.978911 (E_RNA) where: Base-Base interactions energy: -1598.178 where: short stacking energy: -630.277 Base-Backbone interact. energy: -0.973 local terms energy: -666.827592 where: bonds (distance) C4'-P energy: -129.940 bonds (distance) P-C4' energy: -111.791 flat angles C4'-P-C4' energy: -140.336 flat angles P-C4'-P energy: -97.416 tors. eta vs tors. theta energy: -187.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2198.647312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.647312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.647312 (E_RNA) where: Base-Base interactions energy: -1565.887 where: short stacking energy: -650.788 Base-Backbone interact. energy: -1.542 local terms energy: -631.218372 where: bonds (distance) C4'-P energy: -103.298 bonds (distance) P-C4' energy: -94.908 flat angles C4'-P-C4' energy: -149.285 flat angles P-C4'-P energy: -94.403 tors. eta vs tors. theta energy: -189.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1901.038329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.038329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.038329 (E_RNA) where: Base-Base interactions energy: -1290.277 where: short stacking energy: -553.467 Base-Backbone interact. energy: -0.031 local terms energy: -610.730061 where: bonds (distance) C4'-P energy: -119.808 bonds (distance) P-C4' energy: -114.636 flat angles C4'-P-C4' energy: -130.670 flat angles P-C4'-P energy: -80.373 tors. eta vs tors. theta energy: -165.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1608.237556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.237556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.237556 (E_RNA) where: Base-Base interactions energy: -1109.967 where: short stacking energy: -466.871 Base-Backbone interact. energy: 3.617 local terms energy: -501.887557 where: bonds (distance) C4'-P energy: -97.034 bonds (distance) P-C4' energy: -111.439 flat angles C4'-P-C4' energy: -107.170 flat angles P-C4'-P energy: -79.043 tors. eta vs tors. theta energy: -107.203 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: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1188.078958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.078958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.078958 (E_RNA) where: Base-Base interactions energy: -758.291 where: short stacking energy: -349.443 Base-Backbone interact. energy: 2.610 local terms energy: -432.397596 where: bonds (distance) C4'-P energy: -103.632 bonds (distance) P-C4' energy: -102.553 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -53.552 tors. eta vs tors. theta energy: -64.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2573.456604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.456604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.456604 (E_RNA) where: Base-Base interactions energy: -1816.976 where: short stacking energy: -752.766 Base-Backbone interact. energy: -1.408 local terms energy: -755.072439 where: bonds (distance) C4'-P energy: -137.194 bonds (distance) P-C4' energy: -138.583 flat angles C4'-P-C4' energy: -153.745 flat angles P-C4'-P energy: -110.103 tors. eta vs tors. theta energy: -215.447 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: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2526.699483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.699483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.699483 (E_RNA) where: Base-Base interactions energy: -1794.759 where: short stacking energy: -712.440 Base-Backbone interact. energy: -3.827 local terms energy: -728.113510 where: bonds (distance) C4'-P energy: -128.904 bonds (distance) P-C4' energy: -131.247 flat angles C4'-P-C4' energy: -150.107 flat angles P-C4'-P energy: -104.334 tors. eta vs tors. theta energy: -213.521 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: 293 Temperature: 1.000000 Total energy: -2492.960913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.960913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.960913 (E_RNA) where: Base-Base interactions energy: -1789.483 where: short stacking energy: -726.457 Base-Backbone interact. energy: 2.724 local terms energy: -706.202096 where: bonds (distance) C4'-P energy: -127.008 bonds (distance) P-C4' energy: -109.562 flat angles C4'-P-C4' energy: -148.857 flat angles P-C4'-P energy: -105.104 tors. eta vs tors. theta energy: -215.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2416.079489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.079489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.079489 (E_RNA) where: Base-Base interactions energy: -1711.012 where: short stacking energy: -690.542 Base-Backbone interact. energy: 1.260 local terms energy: -706.326940 where: bonds (distance) C4'-P energy: -132.843 bonds (distance) P-C4' energy: -114.905 flat angles C4'-P-C4' energy: -154.229 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -206.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2342.692132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.692132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.692132 (E_RNA) where: Base-Base interactions energy: -1631.988 where: short stacking energy: -669.289 Base-Backbone interact. energy: -1.836 local terms energy: -708.868015 where: bonds (distance) C4'-P energy: -124.577 bonds (distance) P-C4' energy: -132.300 flat angles C4'-P-C4' energy: -149.100 flat angles P-C4'-P energy: -91.760 tors. eta vs tors. theta energy: -211.131 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: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2219.977971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.977971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.977971 (E_RNA) where: Base-Base interactions energy: -1587.657 where: short stacking energy: -646.193 Base-Backbone interact. energy: -5.020 local terms energy: -627.300898 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -112.241 flat angles C4'-P-C4' energy: -124.689 flat angles P-C4'-P energy: -82.287 tors. eta vs tors. theta energy: -190.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2181.020541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.020541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.020541 (E_RNA) where: Base-Base interactions energy: -1523.030 where: short stacking energy: -632.860 Base-Backbone interact. energy: 2.239 local terms energy: -660.230114 where: bonds (distance) C4'-P energy: -119.649 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -148.859 flat angles P-C4'-P energy: -87.831 tors. eta vs tors. theta energy: -176.449 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: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1856.595383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.595383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.595383 (E_RNA) where: Base-Base interactions energy: -1299.233 where: short stacking energy: -545.788 Base-Backbone interact. energy: 3.877 local terms energy: -561.238897 where: bonds (distance) C4'-P energy: -116.086 bonds (distance) P-C4' energy: -100.455 flat angles C4'-P-C4' energy: -114.006 flat angles P-C4'-P energy: -83.212 tors. eta vs tors. theta energy: -147.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1620.246481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.246481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.246481 (E_RNA) where: Base-Base interactions energy: -1113.917 where: short stacking energy: -458.856 Base-Backbone interact. energy: -2.644 local terms energy: -503.685197 where: bonds (distance) C4'-P energy: -103.505 bonds (distance) P-C4' energy: -106.367 flat angles C4'-P-C4' energy: -127.735 flat angles P-C4'-P energy: -65.696 tors. eta vs tors. theta energy: -100.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1206.550439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.550439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.550439 (E_RNA) where: Base-Base interactions energy: -775.562 where: short stacking energy: -345.630 Base-Backbone interact. energy: -3.082 local terms energy: -427.907110 where: bonds (distance) C4'-P energy: -98.695 bonds (distance) P-C4' energy: -102.556 flat angles C4'-P-C4' energy: -119.626 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -50.467 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: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2582.070215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.070215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.070215 (E_RNA) where: Base-Base interactions energy: -1833.852 where: short stacking energy: -716.958 Base-Backbone interact. energy: -2.136 local terms energy: -746.082895 where: bonds (distance) C4'-P energy: -124.845 bonds (distance) P-C4' energy: -133.197 flat angles C4'-P-C4' energy: -155.787 flat angles P-C4'-P energy: -117.016 tors. eta vs tors. theta energy: -215.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2540.344371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.344371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.344371 (E_RNA) where: Base-Base interactions energy: -1802.832 where: short stacking energy: -731.957 Base-Backbone interact. energy: -2.820 local terms energy: -734.691891 where: bonds (distance) C4'-P energy: -121.498 bonds (distance) P-C4' energy: -129.301 flat angles C4'-P-C4' energy: -149.991 flat angles P-C4'-P energy: -115.421 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: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2494.384422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.384422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.384422 (E_RNA) where: Base-Base interactions energy: -1773.531 where: short stacking energy: -718.441 Base-Backbone interact. energy: -1.949 local terms energy: -718.903684 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -121.582 flat angles C4'-P-C4' energy: -146.595 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -221.471 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: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2384.200278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.200278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.200278 (E_RNA) where: Base-Base interactions energy: -1676.878 where: short stacking energy: -685.008 Base-Backbone interact. energy: 0.259 local terms energy: -707.581410 where: bonds (distance) C4'-P energy: -121.881 bonds (distance) P-C4' energy: -120.832 flat angles C4'-P-C4' energy: -147.816 flat angles P-C4'-P energy: -97.971 tors. eta vs tors. theta energy: -219.082 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: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2336.844683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.844683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.844683 (E_RNA) where: Base-Base interactions energy: -1641.832 where: short stacking energy: -666.044 Base-Backbone interact. energy: -2.660 local terms energy: -692.352882 where: bonds (distance) C4'-P energy: -110.934 bonds (distance) P-C4' energy: -132.351 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -89.183 tors. eta vs tors. theta energy: -210.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2216.527017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.527017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.527017 (E_RNA) where: Base-Base interactions energy: -1574.175 where: short stacking energy: -655.411 Base-Backbone interact. energy: -0.437 local terms energy: -641.914793 where: bonds (distance) C4'-P energy: -106.459 bonds (distance) P-C4' energy: -113.335 flat angles C4'-P-C4' energy: -135.223 flat angles P-C4'-P energy: -90.533 tors. eta vs tors. theta energy: -196.364 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: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2124.946070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.946070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.946070 (E_RNA) where: Base-Base interactions energy: -1520.985 where: short stacking energy: -591.743 Base-Backbone interact. energy: -3.162 local terms energy: -600.799406 where: bonds (distance) C4'-P energy: -101.830 bonds (distance) P-C4' energy: -114.921 flat angles C4'-P-C4' energy: -143.471 flat angles P-C4'-P energy: -78.414 tors. eta vs tors. theta energy: -162.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1876.801263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.801263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.801263 (E_RNA) where: Base-Base interactions energy: -1307.620 where: short stacking energy: -547.069 Base-Backbone interact. energy: 0.999 local terms energy: -570.180716 where: bonds (distance) C4'-P energy: -101.122 bonds (distance) P-C4' energy: -116.774 flat angles C4'-P-C4' energy: -110.901 flat angles P-C4'-P energy: -85.735 tors. eta vs tors. theta energy: -155.648 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: 5 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1619.790757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.790757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.790757 (E_RNA) where: Base-Base interactions energy: -1111.875 where: short stacking energy: -446.694 Base-Backbone interact. energy: -3.525 local terms energy: -504.390830 where: bonds (distance) C4'-P energy: -85.253 bonds (distance) P-C4' energy: -101.164 flat angles C4'-P-C4' energy: -128.056 flat angles P-C4'-P energy: -88.013 tors. eta vs tors. theta energy: -101.904 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: 294 Temperature: 1.350000 Total energy: -1281.302724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.302724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.302724 (E_RNA) where: Base-Base interactions energy: -864.554 where: short stacking energy: -368.373 Base-Backbone interact. energy: 0.056 local terms energy: -416.805293 where: bonds (distance) C4'-P energy: -85.979 bonds (distance) P-C4' energy: -99.542 flat angles C4'-P-C4' energy: -107.131 flat angles P-C4'-P energy: -63.645 tors. eta vs tors. theta energy: -60.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2618.055276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.055276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.055276 (E_RNA) where: Base-Base interactions energy: -1867.155 where: short stacking energy: -744.824 Base-Backbone interact. energy: -0.842 local terms energy: -750.058303 where: bonds (distance) C4'-P energy: -132.636 bonds (distance) P-C4' energy: -139.185 flat angles C4'-P-C4' energy: -157.466 flat angles P-C4'-P energy: -101.497 tors. eta vs tors. theta energy: -219.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2516.322173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.322173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.322173 (E_RNA) where: Base-Base interactions energy: -1746.669 where: short stacking energy: -721.364 Base-Backbone interact. energy: -0.885 local terms energy: -768.768872 where: bonds (distance) C4'-P energy: -141.222 bonds (distance) P-C4' energy: -137.891 flat angles C4'-P-C4' energy: -164.534 flat angles P-C4'-P energy: -113.617 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: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2488.588203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.588203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.588203 (E_RNA) where: Base-Base interactions energy: -1754.136 where: short stacking energy: -719.991 Base-Backbone interact. energy: -3.202 local terms energy: -731.250085 where: bonds (distance) C4'-P energy: -130.831 bonds (distance) P-C4' energy: -119.505 flat angles C4'-P-C4' energy: -149.265 flat angles P-C4'-P energy: -103.723 tors. eta vs tors. theta energy: -227.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2411.111126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.111126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.111126 (E_RNA) where: Base-Base interactions energy: -1707.344 where: short stacking energy: -688.972 Base-Backbone interact. energy: -2.422 local terms energy: -701.345357 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -103.368 flat angles C4'-P-C4' energy: -158.050 flat angles P-C4'-P energy: -102.241 tors. eta vs tors. theta energy: -211.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2357.605048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.605048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.605048 (E_RNA) where: Base-Base interactions energy: -1634.270 where: short stacking energy: -688.574 Base-Backbone interact. energy: -2.075 local terms energy: -721.260095 where: bonds (distance) C4'-P energy: -127.266 bonds (distance) P-C4' energy: -133.721 flat angles C4'-P-C4' energy: -144.316 flat angles P-C4'-P energy: -101.832 tors. eta vs tors. theta energy: -214.125 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: 6, replica: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2257.642261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.642261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.642261 (E_RNA) where: Base-Base interactions energy: -1612.698 where: short stacking energy: -642.081 Base-Backbone interact. energy: -0.151 local terms energy: -644.792571 where: bonds (distance) C4'-P energy: -115.185 bonds (distance) P-C4' energy: -101.592 flat angles C4'-P-C4' energy: -148.514 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -183.113 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: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2178.556843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.556843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.556843 (E_RNA) where: Base-Base interactions energy: -1546.319 where: short stacking energy: -626.791 Base-Backbone interact. energy: -1.659 local terms energy: -630.578730 where: bonds (distance) C4'-P energy: -113.036 bonds (distance) P-C4' energy: -101.783 flat angles C4'-P-C4' energy: -134.572 flat angles P-C4'-P energy: -90.154 tors. eta vs tors. theta energy: -191.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1922.298533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.298533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.298533 (E_RNA) where: Base-Base interactions energy: -1330.537 where: short stacking energy: -572.878 Base-Backbone interact. energy: 1.697 local terms energy: -593.458614 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -112.272 flat angles C4'-P-C4' energy: -117.668 flat angles P-C4'-P energy: -92.839 tors. eta vs tors. theta energy: -160.048 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: 9, replica: 5 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1604.632221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.632221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.632221 (E_RNA) where: Base-Base interactions energy: -1106.158 where: short stacking energy: -472.635 Base-Backbone interact. energy: -5.234 local terms energy: -493.240266 where: bonds (distance) C4'-P energy: -96.161 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -128.322 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -92.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1257.284475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.284475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.284475 (E_RNA) where: Base-Base interactions energy: -829.803 where: short stacking energy: -358.186 Base-Backbone interact. energy: -2.375 local terms energy: -425.106291 where: bonds (distance) C4'-P energy: -113.658 bonds (distance) P-C4' energy: -106.940 flat angles C4'-P-C4' energy: -104.619 flat angles P-C4'-P energy: -39.500 tors. eta vs tors. theta energy: -60.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2600.868353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.868353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.868353 (E_RNA) where: Base-Base interactions energy: -1863.513 where: short stacking energy: -717.512 Base-Backbone interact. energy: -4.792 local terms energy: -732.562428 where: bonds (distance) C4'-P energy: -135.458 bonds (distance) P-C4' energy: -123.457 flat angles C4'-P-C4' energy: -154.106 flat angles P-C4'-P energy: -107.488 tors. eta vs tors. theta energy: -212.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2548.023474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.023474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.023474 (E_RNA) where: Base-Base interactions energy: -1817.352 where: short stacking energy: -744.756 Base-Backbone interact. energy: -1.547 local terms energy: -729.124580 where: bonds (distance) C4'-P energy: -117.438 bonds (distance) P-C4' energy: -122.350 flat angles C4'-P-C4' energy: -161.305 flat angles P-C4'-P energy: -107.199 tors. eta vs tors. theta energy: -220.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2476.072533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.072533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.072533 (E_RNA) where: Base-Base interactions energy: -1751.146 where: short stacking energy: -727.511 Base-Backbone interact. energy: -0.707 local terms energy: -724.219302 where: bonds (distance) C4'-P energy: -114.991 bonds (distance) P-C4' energy: -117.912 flat angles C4'-P-C4' energy: -149.601 flat angles P-C4'-P energy: -118.202 tors. eta vs tors. theta energy: -223.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2426.880205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.880205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.880205 (E_RNA) where: Base-Base interactions energy: -1719.968 where: short stacking energy: -728.371 Base-Backbone interact. energy: -1.265 local terms energy: -705.647446 where: bonds (distance) C4'-P energy: -96.821 bonds (distance) P-C4' energy: -122.556 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -104.536 tors. eta vs tors. theta energy: -225.128 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: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2355.396085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.396085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.396085 (E_RNA) where: Base-Base interactions energy: -1661.051 where: short stacking energy: -704.753 Base-Backbone interact. energy: -1.834 local terms energy: -692.511632 where: bonds (distance) C4'-P energy: -115.505 bonds (distance) P-C4' energy: -119.540 flat angles C4'-P-C4' energy: -147.124 flat angles P-C4'-P energy: -92.394 tors. eta vs tors. theta energy: -217.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2205.349974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.349974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.349974 (E_RNA) where: Base-Base interactions energy: -1592.046 where: short stacking energy: -628.867 Base-Backbone interact. energy: -0.368 local terms energy: -612.935791 where: bonds (distance) C4'-P energy: -105.288 bonds (distance) P-C4' energy: -122.184 flat angles C4'-P-C4' energy: -130.533 flat angles P-C4'-P energy: -71.799 tors. eta vs tors. theta energy: -183.133 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: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2126.705089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.705089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.705089 (E_RNA) where: Base-Base interactions energy: -1456.840 where: short stacking energy: -605.444 Base-Backbone interact. energy: 1.344 local terms energy: -671.209139 where: bonds (distance) C4'-P energy: -131.862 bonds (distance) P-C4' energy: -111.852 flat angles C4'-P-C4' energy: -142.126 flat angles P-C4'-P energy: -104.866 tors. eta vs tors. theta energy: -180.503 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: 296 Temperature: 1.250000 Total energy: -1792.764237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.764237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.764237 (E_RNA) where: Base-Base interactions energy: -1220.895 where: short stacking energy: -489.135 Base-Backbone interact. energy: -2.347 local terms energy: -569.522544 where: bonds (distance) C4'-P energy: -108.907 bonds (distance) P-C4' energy: -113.936 flat angles C4'-P-C4' energy: -128.523 flat angles P-C4'-P energy: -72.704 tors. eta vs tors. theta energy: -145.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1562.410859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.410859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.410859 (E_RNA) where: Base-Base interactions energy: -1069.644 where: short stacking energy: -429.079 Base-Backbone interact. energy: 7.208 local terms energy: -499.974973 where: bonds (distance) C4'-P energy: -106.796 bonds (distance) P-C4' energy: -101.910 flat angles C4'-P-C4' energy: -125.460 flat angles P-C4'-P energy: -91.254 tors. eta vs tors. theta energy: -74.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1287.283175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.283175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.283175 (E_RNA) where: Base-Base interactions energy: -839.480 where: short stacking energy: -360.810 Base-Backbone interact. energy: -1.289 local terms energy: -446.514341 where: bonds (distance) C4'-P energy: -94.605 bonds (distance) P-C4' energy: -106.823 flat angles C4'-P-C4' energy: -110.486 flat angles P-C4'-P energy: -73.035 tors. eta vs tors. theta energy: -61.566 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: 1, replica: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2604.626783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.626783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.626783 (E_RNA) where: Base-Base interactions energy: -1838.964 where: short stacking energy: -746.566 Base-Backbone interact. energy: 0.324 local terms energy: -765.986878 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -128.806 flat angles C4'-P-C4' energy: -161.245 flat angles P-C4'-P energy: -120.508 tors. eta vs tors. theta energy: -220.222 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: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2550.561725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.561725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.561725 (E_RNA) where: Base-Base interactions energy: -1810.403 where: short stacking energy: -716.556 Base-Backbone interact. energy: -2.031 local terms energy: -738.127540 where: bonds (distance) C4'-P energy: -129.462 bonds (distance) P-C4' energy: -134.031 flat angles C4'-P-C4' energy: -164.201 flat angles P-C4'-P energy: -94.635 tors. eta vs tors. theta energy: -215.799 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: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2498.777437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.777437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.777437 (E_RNA) where: Base-Base interactions energy: -1782.117 where: short stacking energy: -744.490 Base-Backbone interact. energy: -1.067 local terms energy: -715.592907 where: bonds (distance) C4'-P energy: -122.681 bonds (distance) P-C4' energy: -112.903 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -98.413 tors. eta vs tors. theta energy: -231.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2446.646516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.646516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.646516 (E_RNA) where: Base-Base interactions energy: -1741.259 where: short stacking energy: -731.333 Base-Backbone interact. energy: 0.373 local terms energy: -705.760988 where: bonds (distance) C4'-P energy: -115.904 bonds (distance) P-C4' energy: -109.154 flat angles C4'-P-C4' energy: -149.923 flat angles P-C4'-P energy: -110.267 tors. eta vs tors. theta energy: -220.513 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: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2360.411314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.411314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.411314 (E_RNA) where: Base-Base interactions energy: -1633.621 where: short stacking energy: -655.960 Base-Backbone interact. energy: -3.140 local terms energy: -723.650324 where: bonds (distance) C4'-P energy: -107.685 bonds (distance) P-C4' energy: -141.034 flat angles C4'-P-C4' energy: -144.944 flat angles P-C4'-P energy: -107.917 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: 6, replica: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2228.527849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.527849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.527849 (E_RNA) where: Base-Base interactions energy: -1582.691 where: short stacking energy: -648.646 Base-Backbone interact. energy: -2.933 local terms energy: -642.903773 where: bonds (distance) C4'-P energy: -116.397 bonds (distance) P-C4' energy: -118.229 flat angles C4'-P-C4' energy: -136.151 flat angles P-C4'-P energy: -87.023 tors. eta vs tors. theta energy: -185.105 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: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2067.107233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.107233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.107233 (E_RNA) where: Base-Base interactions energy: -1442.453 where: short stacking energy: -606.046 Base-Backbone interact. energy: -0.047 local terms energy: -624.607246 where: bonds (distance) C4'-P energy: -106.596 bonds (distance) P-C4' energy: -115.562 flat angles C4'-P-C4' energy: -131.999 flat angles P-C4'-P energy: -98.815 tors. eta vs tors. theta energy: -171.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1917.183668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.183668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.183668 (E_RNA) where: Base-Base interactions energy: -1344.566 where: short stacking energy: -588.630 Base-Backbone interact. energy: 2.522 local terms energy: -575.139556 where: bonds (distance) C4'-P energy: -105.864 bonds (distance) P-C4' energy: -93.071 flat angles C4'-P-C4' energy: -130.703 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -166.658 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: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1516.073626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.073626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.073626 (E_RNA) where: Base-Base interactions energy: -1053.982 where: short stacking energy: -447.397 Base-Backbone interact. energy: -2.001 local terms energy: -460.090338 where: bonds (distance) C4'-P energy: -111.148 bonds (distance) P-C4' energy: -97.209 flat angles C4'-P-C4' energy: -97.177 flat angles P-C4'-P energy: -73.987 tors. eta vs tors. theta energy: -80.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1247.482788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.482788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.482788 (E_RNA) where: Base-Base interactions energy: -805.435 where: short stacking energy: -347.192 Base-Backbone interact. energy: -0.756 local terms energy: -441.291881 where: bonds (distance) C4'-P energy: -102.236 bonds (distance) P-C4' energy: -115.802 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -59.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2607.944662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.944662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.944662 (E_RNA) where: Base-Base interactions energy: -1852.262 where: short stacking energy: -760.957 Base-Backbone interact. energy: -3.217 local terms energy: -752.465729 where: bonds (distance) C4'-P energy: -142.390 bonds (distance) P-C4' energy: -141.085 flat angles C4'-P-C4' energy: -156.580 flat angles P-C4'-P energy: -90.128 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: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2544.986389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.986389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.986389 (E_RNA) where: Base-Base interactions energy: -1808.437 where: short stacking energy: -736.946 Base-Backbone interact. energy: -2.972 local terms energy: -733.577735 where: bonds (distance) C4'-P energy: -126.649 bonds (distance) P-C4' energy: -139.426 flat angles C4'-P-C4' energy: -141.519 flat angles P-C4'-P energy: -111.520 tors. eta vs tors. theta energy: -214.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2518.728272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.728272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.728272 (E_RNA) where: Base-Base interactions energy: -1769.798 where: short stacking energy: -744.162 Base-Backbone interact. energy: -0.197 local terms energy: -748.732900 where: bonds (distance) C4'-P energy: -123.804 bonds (distance) P-C4' energy: -128.601 flat angles C4'-P-C4' energy: -156.671 flat angles P-C4'-P energy: -107.943 tors. eta vs tors. theta energy: -231.715 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: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2457.861967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.861967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.861967 (E_RNA) where: Base-Base interactions energy: -1737.052 where: short stacking energy: -737.990 Base-Backbone interact. energy: -1.843 local terms energy: -718.967146 where: bonds (distance) C4'-P energy: -122.996 bonds (distance) P-C4' energy: -120.230 flat angles C4'-P-C4' energy: -147.291 flat angles P-C4'-P energy: -103.465 tors. eta vs tors. theta energy: -224.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2337.993063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.993063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.993063 (E_RNA) where: Base-Base interactions energy: -1657.064 where: short stacking energy: -665.960 Base-Backbone interact. energy: -1.396 local terms energy: -679.533818 where: bonds (distance) C4'-P energy: -115.134 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -133.715 flat angles P-C4'-P energy: -107.469 tors. eta vs tors. theta energy: -209.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2208.456526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.456526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.456526 (E_RNA) where: Base-Base interactions energy: -1564.525 where: short stacking energy: -621.416 Base-Backbone interact. energy: -2.317 local terms energy: -641.614969 where: bonds (distance) C4'-P energy: -105.999 bonds (distance) P-C4' energy: -112.022 flat angles C4'-P-C4' energy: -144.539 flat angles P-C4'-P energy: -89.126 tors. eta vs tors. theta energy: -189.929 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: 298 Temperature: 1.200000 Total energy: -2091.526058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.526058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.526058 (E_RNA) where: Base-Base interactions energy: -1490.278 where: short stacking energy: -614.715 Base-Backbone interact. energy: -0.840 local terms energy: -600.408686 where: bonds (distance) C4'-P energy: -96.854 bonds (distance) P-C4' energy: -116.334 flat angles C4'-P-C4' energy: -131.443 flat angles P-C4'-P energy: -73.907 tors. eta vs tors. theta energy: -181.871 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: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1892.904369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.904369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.904369 (E_RNA) where: Base-Base interactions energy: -1301.988 where: short stacking energy: -555.930 Base-Backbone interact. energy: 3.025 local terms energy: -593.940630 where: bonds (distance) C4'-P energy: -116.731 bonds (distance) P-C4' energy: -105.506 flat angles C4'-P-C4' energy: -128.310 flat angles P-C4'-P energy: -88.948 tors. eta vs tors. theta energy: -154.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1474.177415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.177415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.177415 (E_RNA) where: Base-Base interactions energy: -979.161 where: short stacking energy: -421.714 Base-Backbone interact. energy: -1.260 local terms energy: -493.756719 where: bonds (distance) C4'-P energy: -113.030 bonds (distance) P-C4' energy: -109.867 flat angles C4'-P-C4' energy: -114.727 flat angles P-C4'-P energy: -67.770 tors. eta vs tors. theta energy: -88.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1222.177168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.177168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.177168 (E_RNA) where: Base-Base interactions energy: -767.820 where: short stacking energy: -317.007 Base-Backbone interact. energy: -0.592 local terms energy: -453.764821 where: bonds (distance) C4'-P energy: -107.125 bonds (distance) P-C4' energy: -118.951 flat angles C4'-P-C4' energy: -124.677 flat angles P-C4'-P energy: -48.583 tors. eta vs tors. theta energy: -54.428 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: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2594.592075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.592075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.592075 (E_RNA) where: Base-Base interactions energy: -1848.570 where: short stacking energy: -734.675 Base-Backbone interact. energy: -0.798 local terms energy: -745.223817 where: bonds (distance) C4'-P energy: -128.631 bonds (distance) P-C4' energy: -124.776 flat angles C4'-P-C4' energy: -151.248 flat angles P-C4'-P energy: -120.335 tors. eta vs tors. theta energy: -220.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2558.529192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.529192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.529192 (E_RNA) where: Base-Base interactions energy: -1808.044 where: short stacking energy: -749.054 Base-Backbone interact. energy: -0.545 local terms energy: -749.940125 where: bonds (distance) C4'-P energy: -141.198 bonds (distance) P-C4' energy: -122.115 flat angles C4'-P-C4' energy: -155.070 flat angles P-C4'-P energy: -110.373 tors. eta vs tors. theta energy: -221.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2499.039626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.039626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.039626 (E_RNA) where: Base-Base interactions energy: -1779.368 where: short stacking energy: -716.690 Base-Backbone interact. energy: -1.403 local terms energy: -718.268682 where: bonds (distance) C4'-P energy: -121.988 bonds (distance) P-C4' energy: -123.037 flat angles C4'-P-C4' energy: -152.729 flat angles P-C4'-P energy: -104.014 tors. eta vs tors. theta energy: -216.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2466.117403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.117403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.117403 (E_RNA) where: Base-Base interactions energy: -1728.226 where: short stacking energy: -740.509 Base-Backbone interact. energy: -1.217 local terms energy: -736.674652 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -113.302 flat angles C4'-P-C4' energy: -154.156 flat angles P-C4'-P energy: -120.690 tors. eta vs tors. theta energy: -226.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2322.226835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.226835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.226835 (E_RNA) where: Base-Base interactions energy: -1627.951 where: short stacking energy: -667.018 Base-Backbone interact. energy: -1.518 local terms energy: -692.757886 where: bonds (distance) C4'-P energy: -122.894 bonds (distance) P-C4' energy: -131.227 flat angles C4'-P-C4' energy: -144.244 flat angles P-C4'-P energy: -91.857 tors. eta vs tors. theta energy: -202.536 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: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2199.263435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.263435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.263435 (E_RNA) where: Base-Base interactions energy: -1542.825 where: short stacking energy: -630.875 Base-Backbone interact. energy: 0.522 local terms energy: -656.960353 where: bonds (distance) C4'-P energy: -119.105 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -130.059 flat angles P-C4'-P energy: -97.129 tors. eta vs tors. theta energy: -189.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2119.715242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.715242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.715242 (E_RNA) where: Base-Base interactions energy: -1497.455 where: short stacking energy: -619.939 Base-Backbone interact. energy: -2.158 local terms energy: -620.102923 where: bonds (distance) C4'-P energy: -113.534 bonds (distance) P-C4' energy: -116.532 flat angles C4'-P-C4' energy: -130.879 flat angles P-C4'-P energy: -77.758 tors. eta vs tors. theta energy: -181.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1884.767727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.767727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.767727 (E_RNA) where: Base-Base interactions energy: -1314.136 where: short stacking energy: -552.354 Base-Backbone interact. energy: -1.379 local terms energy: -569.252973 where: bonds (distance) C4'-P energy: -91.988 bonds (distance) P-C4' energy: -114.514 flat angles C4'-P-C4' energy: -116.474 flat angles P-C4'-P energy: -90.907 tors. eta vs tors. theta energy: -155.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1497.767876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.767876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.767876 (E_RNA) where: Base-Base interactions energy: -978.641 where: short stacking energy: -423.828 Base-Backbone interact. energy: -0.446 local terms energy: -518.681237 where: bonds (distance) C4'-P energy: -96.953 bonds (distance) P-C4' energy: -122.658 flat angles C4'-P-C4' energy: -126.730 flat angles P-C4'-P energy: -76.959 tors. eta vs tors. theta energy: -95.381 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: 299 Temperature: 1.350000 Total energy: -1301.424248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.424248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.424248 (E_RNA) where: Base-Base interactions energy: -850.978 where: short stacking energy: -359.557 Base-Backbone interact. energy: -3.618 local terms energy: -446.828639 where: bonds (distance) C4'-P energy: -114.300 bonds (distance) P-C4' energy: -90.532 flat angles C4'-P-C4' energy: -118.066 flat angles P-C4'-P energy: -57.171 tors. eta vs tors. theta energy: -66.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2607.101907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.101907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.101907 (E_RNA) where: Base-Base interactions energy: -1830.347 where: short stacking energy: -747.543 Base-Backbone interact. energy: -3.390 local terms energy: -773.364914 where: bonds (distance) C4'-P energy: -132.258 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -158.505 flat angles P-C4'-P energy: -111.733 tors. eta vs tors. theta energy: -232.443 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: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2573.460531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.460531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.460531 (E_RNA) where: Base-Base interactions energy: -1831.117 where: short stacking energy: -738.188 Base-Backbone interact. energy: 1.516 local terms energy: -743.859805 where: bonds (distance) C4'-P energy: -134.984 bonds (distance) P-C4' energy: -132.231 flat angles C4'-P-C4' energy: -158.394 flat angles P-C4'-P energy: -109.156 tors. eta vs tors. theta energy: -209.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2496.973788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.973788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.973788 (E_RNA) where: Base-Base interactions energy: -1774.582 where: short stacking energy: -741.381 Base-Backbone interact. energy: -0.389 local terms energy: -722.003175 where: bonds (distance) C4'-P energy: -122.313 bonds (distance) P-C4' energy: -125.466 flat angles C4'-P-C4' energy: -162.303 flat angles P-C4'-P energy: -90.290 tors. eta vs tors. theta energy: -221.632 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: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2473.620798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.620798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.620798 (E_RNA) where: Base-Base interactions energy: -1761.803 where: short stacking energy: -743.199 Base-Backbone interact. energy: -0.243 local terms energy: -711.573959 where: bonds (distance) C4'-P energy: -122.266 bonds (distance) P-C4' energy: -110.712 flat angles C4'-P-C4' energy: -149.701 flat angles P-C4'-P energy: -98.653 tors. eta vs tors. theta energy: -230.241 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: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2352.508658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.508658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.508658 (E_RNA) where: Base-Base interactions energy: -1656.977 where: short stacking energy: -682.399 Base-Backbone interact. energy: -1.206 local terms energy: -694.326315 where: bonds (distance) C4'-P energy: -125.712 bonds (distance) P-C4' energy: -107.799 flat angles C4'-P-C4' energy: -145.022 flat angles P-C4'-P energy: -100.429 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: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2194.275678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.275678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.275678 (E_RNA) where: Base-Base interactions energy: -1495.149 where: short stacking energy: -631.611 Base-Backbone interact. energy: 0.457 local terms energy: -699.583909 where: bonds (distance) C4'-P energy: -126.470 bonds (distance) P-C4' energy: -129.507 flat angles C4'-P-C4' energy: -138.113 flat angles P-C4'-P energy: -109.185 tors. eta vs tors. theta energy: -196.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2089.485734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.485734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.485734 (E_RNA) where: Base-Base interactions energy: -1472.307 where: short stacking energy: -596.996 Base-Backbone interact. energy: 5.276 local terms energy: -622.455147 where: bonds (distance) C4'-P energy: -103.145 bonds (distance) P-C4' energy: -109.388 flat angles C4'-P-C4' energy: -139.099 flat angles P-C4'-P energy: -91.432 tors. eta vs tors. theta energy: -179.392 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: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1901.548665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.548665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.548665 (E_RNA) where: Base-Base interactions energy: -1315.596 where: short stacking energy: -529.096 Base-Backbone interact. energy: -0.727 local terms energy: -585.225975 where: bonds (distance) C4'-P energy: -117.328 bonds (distance) P-C4' energy: -89.736 flat angles C4'-P-C4' energy: -135.962 flat angles P-C4'-P energy: -92.410 tors. eta vs tors. theta energy: -149.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1448.458052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.458052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.458052 (E_RNA) where: Base-Base interactions energy: -996.519 where: short stacking energy: -376.420 Base-Backbone interact. energy: -0.298 local terms energy: -451.641527 where: bonds (distance) C4'-P energy: -112.782 bonds (distance) P-C4' energy: -109.934 flat angles C4'-P-C4' energy: -95.920 flat angles P-C4'-P energy: -59.197 tors. eta vs tors. theta energy: -73.809 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: 300 Temperature: 1.350000 Total energy: -1205.942747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.942747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.942747 (E_RNA) where: Base-Base interactions energy: -789.937 where: short stacking energy: -335.453 Base-Backbone interact. energy: -3.247 local terms energy: -412.759124 where: bonds (distance) C4'-P energy: -89.437 bonds (distance) P-C4' energy: -97.734 flat angles C4'-P-C4' energy: -104.949 flat angles P-C4'-P energy: -64.394 tors. eta vs tors. theta energy: -56.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2621.690717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.690717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.690717 (E_RNA) where: Base-Base interactions energy: -1849.828 where: short stacking energy: -769.078 Base-Backbone interact. energy: 1.356 local terms energy: -773.217857 where: bonds (distance) C4'-P energy: -121.695 bonds (distance) P-C4' energy: -136.234 flat angles C4'-P-C4' energy: -160.544 flat angles P-C4'-P energy: -120.028 tors. eta vs tors. theta energy: -234.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2605.578190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.578190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.578190 (E_RNA) where: Base-Base interactions energy: -1868.413 where: short stacking energy: -754.960 Base-Backbone interact. energy: -2.792 local terms energy: -734.372987 where: bonds (distance) C4'-P energy: -120.546 bonds (distance) P-C4' energy: -138.834 flat angles C4'-P-C4' energy: -145.146 flat angles P-C4'-P energy: -107.579 tors. eta vs tors. theta energy: -222.269 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: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2494.572499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.572499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.572499 (E_RNA) where: Base-Base interactions energy: -1757.539 where: short stacking energy: -726.743 Base-Backbone interact. energy: -1.026 local terms energy: -736.007421 where: bonds (distance) C4'-P energy: -137.604 bonds (distance) P-C4' energy: -124.706 flat angles C4'-P-C4' energy: -154.586 flat angles P-C4'-P energy: -105.768 tors. eta vs tors. theta energy: -213.344 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: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2466.523427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.523427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.523427 (E_RNA) where: Base-Base interactions energy: -1749.284 where: short stacking energy: -730.089 Base-Backbone interact. energy: -2.501 local terms energy: -714.738765 where: bonds (distance) C4'-P energy: -130.338 bonds (distance) P-C4' energy: -111.571 flat angles C4'-P-C4' energy: -141.504 flat angles P-C4'-P energy: -102.366 tors. eta vs tors. theta energy: -228.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2348.664920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.664920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.664920 (E_RNA) where: Base-Base interactions energy: -1667.776 where: short stacking energy: -657.229 Base-Backbone interact. energy: -3.585 local terms energy: -677.303184 where: bonds (distance) C4'-P energy: -121.816 bonds (distance) P-C4' energy: -103.474 flat angles C4'-P-C4' energy: -143.918 flat angles P-C4'-P energy: -95.818 tors. eta vs tors. theta energy: -212.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2228.717638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.717638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.717638 (E_RNA) where: Base-Base interactions energy: -1601.137 where: short stacking energy: -640.312 Base-Backbone interact. energy: 0.489 local terms energy: -628.069643 where: bonds (distance) C4'-P energy: -84.673 bonds (distance) P-C4' energy: -121.247 flat angles C4'-P-C4' energy: -145.834 flat angles P-C4'-P energy: -85.660 tors. eta vs tors. theta energy: -190.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2084.396543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.396543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.396543 (E_RNA) where: Base-Base interactions energy: -1458.086 where: short stacking energy: -617.360 Base-Backbone interact. energy: -2.040 local terms energy: -624.270951 where: bonds (distance) C4'-P energy: -116.837 bonds (distance) P-C4' energy: -114.414 flat angles C4'-P-C4' energy: -136.107 flat angles P-C4'-P energy: -87.504 tors. eta vs tors. theta energy: -169.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1958.387882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.387882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.387882 (E_RNA) where: Base-Base interactions energy: -1360.140 where: short stacking energy: -541.452 Base-Backbone interact. energy: -1.593 local terms energy: -596.654918 where: bonds (distance) C4'-P energy: -111.808 bonds (distance) P-C4' energy: -129.994 flat angles C4'-P-C4' energy: -119.893 flat angles P-C4'-P energy: -70.877 tors. eta vs tors. theta energy: -164.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1402.021403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.021403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.021403 (E_RNA) where: Base-Base interactions energy: -934.886 where: short stacking energy: -404.765 Base-Backbone interact. energy: -2.123 local terms energy: -465.012579 where: bonds (distance) C4'-P energy: -117.317 bonds (distance) P-C4' energy: -99.526 flat angles C4'-P-C4' energy: -110.196 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -78.306 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: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1221.805913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.805913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.805913 (E_RNA) where: Base-Base interactions energy: -802.356 where: short stacking energy: -367.140 Base-Backbone interact. energy: -1.615 local terms energy: -417.835097 where: bonds (distance) C4'-P energy: -119.125 bonds (distance) P-C4' energy: -87.527 flat angles C4'-P-C4' energy: -97.319 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -50.744 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: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2607.308794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.308794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.308794 (E_RNA) where: Base-Base interactions energy: -1843.000 where: short stacking energy: -762.719 Base-Backbone interact. energy: -0.851 local terms energy: -763.457031 where: bonds (distance) C4'-P energy: -123.878 bonds (distance) P-C4' energy: -132.746 flat angles C4'-P-C4' energy: -164.661 flat angles P-C4'-P energy: -109.964 tors. eta vs tors. theta energy: -232.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2570.605108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.605108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.605108 (E_RNA) where: Base-Base interactions energy: -1812.247 where: short stacking energy: -740.964 Base-Backbone interact. energy: -6.159 local terms energy: -752.199178 where: bonds (distance) C4'-P energy: -133.745 bonds (distance) P-C4' energy: -127.545 flat angles C4'-P-C4' energy: -153.624 flat angles P-C4'-P energy: -116.083 tors. eta vs tors. theta energy: -221.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2523.220911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.220911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.220911 (E_RNA) where: Base-Base interactions energy: -1776.620 where: short stacking energy: -737.901 Base-Backbone interact. energy: 1.578 local terms energy: -748.179137 where: bonds (distance) C4'-P energy: -127.238 bonds (distance) P-C4' energy: -122.721 flat angles C4'-P-C4' energy: -161.958 flat angles P-C4'-P energy: -100.738 tors. eta vs tors. theta energy: -235.524 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: 4, replica: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2453.164898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.164898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.164898 (E_RNA) where: Base-Base interactions energy: -1730.612 where: short stacking energy: -706.385 Base-Backbone interact. energy: 0.223 local terms energy: -722.776439 where: bonds (distance) C4'-P energy: -127.455 bonds (distance) P-C4' energy: -117.069 flat angles C4'-P-C4' energy: -152.591 flat angles P-C4'-P energy: -114.101 tors. eta vs tors. theta energy: -211.561 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: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2304.201905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.201905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.201905 (E_RNA) where: Base-Base interactions energy: -1643.663 where: short stacking energy: -661.875 Base-Backbone interact. energy: -0.781 local terms energy: -659.757204 where: bonds (distance) C4'-P energy: -118.536 bonds (distance) P-C4' energy: -113.831 flat angles C4'-P-C4' energy: -131.011 flat angles P-C4'-P energy: -86.969 tors. eta vs tors. theta energy: -209.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2186.660034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.660034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.660034 (E_RNA) where: Base-Base interactions energy: -1549.192 where: short stacking energy: -635.643 Base-Backbone interact. energy: -0.345 local terms energy: -637.123094 where: bonds (distance) C4'-P energy: -116.010 bonds (distance) P-C4' energy: -117.121 flat angles C4'-P-C4' energy: -130.466 flat angles P-C4'-P energy: -85.832 tors. eta vs tors. theta energy: -187.694 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: 302 Temperature: 1.200000 Total energy: -2089.994153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.994153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.994153 (E_RNA) where: Base-Base interactions energy: -1504.805 where: short stacking energy: -636.984 Base-Backbone interact. energy: -0.161 local terms energy: -585.028194 where: bonds (distance) C4'-P energy: -101.913 bonds (distance) P-C4' energy: -85.431 flat angles C4'-P-C4' energy: -122.778 flat angles P-C4'-P energy: -84.762 tors. eta vs tors. theta energy: -190.144 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: 302 Temperature: 1.250000 Total energy: -1913.553079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.553079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.553079 (E_RNA) where: Base-Base interactions energy: -1325.575 where: short stacking energy: -554.858 Base-Backbone interact. energy: 1.122 local terms energy: -589.099824 where: bonds (distance) C4'-P energy: -100.637 bonds (distance) P-C4' energy: -114.685 flat angles C4'-P-C4' energy: -134.812 flat angles P-C4'-P energy: -80.926 tors. eta vs tors. theta energy: -158.039 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: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1461.467269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.467269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.467269 (E_RNA) where: Base-Base interactions energy: -978.116 where: short stacking energy: -420.884 Base-Backbone interact. energy: 2.182 local terms energy: -485.532442 where: bonds (distance) C4'-P energy: -100.650 bonds (distance) P-C4' energy: -112.648 flat angles C4'-P-C4' energy: -105.331 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -91.476 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: 302 Temperature: 1.350000 Total energy: -1222.011185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.011185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.011185 (E_RNA) where: Base-Base interactions energy: -800.461 where: short stacking energy: -347.682 Base-Backbone interact. energy: 0.189 local terms energy: -421.738259 where: bonds (distance) C4'-P energy: -86.616 bonds (distance) P-C4' energy: -100.808 flat angles C4'-P-C4' energy: -117.439 flat angles P-C4'-P energy: -64.809 tors. eta vs tors. theta energy: -52.067 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: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2633.020094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.020094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.020094 (E_RNA) where: Base-Base interactions energy: -1881.352 where: short stacking energy: -795.268 Base-Backbone interact. energy: -3.598 local terms energy: -748.070027 where: bonds (distance) C4'-P energy: -131.557 bonds (distance) P-C4' energy: -129.409 flat angles C4'-P-C4' energy: -146.886 flat angles P-C4'-P energy: -107.261 tors. eta vs tors. theta energy: -232.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2593.648660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.648660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.648660 (E_RNA) where: Base-Base interactions energy: -1831.895 where: short stacking energy: -756.191 Base-Backbone interact. energy: -2.541 local terms energy: -759.211857 where: bonds (distance) C4'-P energy: -128.715 bonds (distance) P-C4' energy: -131.742 flat angles C4'-P-C4' energy: -152.981 flat angles P-C4'-P energy: -110.857 tors. eta vs tors. theta energy: -234.917 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: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2517.443958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.443958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.443958 (E_RNA) where: Base-Base interactions energy: -1771.553 where: short stacking energy: -717.142 Base-Backbone interact. energy: -1.246 local terms energy: -744.644617 where: bonds (distance) C4'-P energy: -133.316 bonds (distance) P-C4' energy: -135.797 flat angles C4'-P-C4' energy: -157.206 flat angles P-C4'-P energy: -96.914 tors. eta vs tors. theta energy: -221.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2446.582924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.582924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.582924 (E_RNA) where: Base-Base interactions energy: -1744.937 where: short stacking energy: -726.138 Base-Backbone interact. energy: -1.542 local terms energy: -700.103105 where: bonds (distance) C4'-P energy: -116.622 bonds (distance) P-C4' energy: -119.892 flat angles C4'-P-C4' energy: -151.899 flat angles P-C4'-P energy: -97.490 tors. eta vs tors. theta energy: -214.201 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: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2326.119788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.119788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.119788 (E_RNA) where: Base-Base interactions energy: -1619.537 where: short stacking energy: -649.109 Base-Backbone interact. energy: -0.139 local terms energy: -706.443875 where: bonds (distance) C4'-P energy: -119.656 bonds (distance) P-C4' energy: -131.017 flat angles C4'-P-C4' energy: -151.461 flat angles P-C4'-P energy: -101.624 tors. eta vs tors. theta energy: -202.686 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: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2223.981282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.981282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.981282 (E_RNA) where: Base-Base interactions energy: -1578.036 where: short stacking energy: -657.472 Base-Backbone interact. energy: 0.066 local terms energy: -646.011336 where: bonds (distance) C4'-P energy: -114.058 bonds (distance) P-C4' energy: -115.221 flat angles C4'-P-C4' energy: -139.526 flat angles P-C4'-P energy: -86.699 tors. eta vs tors. theta energy: -190.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2080.692606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.692606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.692606 (E_RNA) where: Base-Base interactions energy: -1457.850 where: short stacking energy: -612.182 Base-Backbone interact. energy: 3.734 local terms energy: -626.576814 where: bonds (distance) C4'-P energy: -111.982 bonds (distance) P-C4' energy: -114.390 flat angles C4'-P-C4' energy: -129.499 flat angles P-C4'-P energy: -89.846 tors. eta vs tors. theta energy: -180.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1973.467420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.467420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.467420 (E_RNA) where: Base-Base interactions energy: -1361.718 where: short stacking energy: -584.216 Base-Backbone interact. energy: -0.342 local terms energy: -611.407030 where: bonds (distance) C4'-P energy: -114.696 bonds (distance) P-C4' energy: -119.822 flat angles C4'-P-C4' energy: -131.120 flat angles P-C4'-P energy: -84.754 tors. eta vs tors. theta energy: -161.015 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: 5 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1502.306884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.306884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.306884 (E_RNA) where: Base-Base interactions energy: -1004.714 where: short stacking energy: -421.141 Base-Backbone interact. energy: -2.335 local terms energy: -495.258217 where: bonds (distance) C4'-P energy: -102.984 bonds (distance) P-C4' energy: -101.305 flat angles C4'-P-C4' energy: -112.049 flat angles P-C4'-P energy: -81.388 tors. eta vs tors. theta energy: -97.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1131.173690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.173690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.173690 (E_RNA) where: Base-Base interactions energy: -727.980 where: short stacking energy: -329.794 Base-Backbone interact. energy: 4.502 local terms energy: -407.696346 where: bonds (distance) C4'-P energy: -102.876 bonds (distance) P-C4' energy: -96.726 flat angles C4'-P-C4' energy: -83.972 flat angles P-C4'-P energy: -74.753 tors. eta vs tors. theta energy: -49.370 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: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2657.878430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.878430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.878430 (E_RNA) where: Base-Base interactions energy: -1867.898 where: short stacking energy: -778.086 Base-Backbone interact. energy: -1.107 local terms energy: -788.873179 where: bonds (distance) C4'-P energy: -139.431 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -158.065 flat angles P-C4'-P energy: -115.338 tors. eta vs tors. theta energy: -240.027 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: 304 Temperature: 0.950000 Total energy: -2602.248494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.248494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.248494 (E_RNA) where: Base-Base interactions energy: -1854.269 where: short stacking energy: -766.119 Base-Backbone interact. energy: -0.845 local terms energy: -747.134663 where: bonds (distance) C4'-P energy: -132.602 bonds (distance) P-C4' energy: -136.313 flat angles C4'-P-C4' energy: -146.432 flat angles P-C4'-P energy: -102.236 tors. eta vs tors. theta energy: -229.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2495.574390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.574390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.574390 (E_RNA) where: Base-Base interactions energy: -1780.031 where: short stacking energy: -719.817 Base-Backbone interact. energy: 0.702 local terms energy: -716.245637 where: bonds (distance) C4'-P energy: -120.056 bonds (distance) P-C4' energy: -124.003 flat angles C4'-P-C4' energy: -164.851 flat angles P-C4'-P energy: -96.265 tors. eta vs tors. theta energy: -211.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2426.367813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.367813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.367813 (E_RNA) where: Base-Base interactions energy: -1736.194 where: short stacking energy: -722.894 Base-Backbone interact. energy: 0.878 local terms energy: -691.052131 where: bonds (distance) C4'-P energy: -121.096 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -142.104 flat angles P-C4'-P energy: -101.259 tors. eta vs tors. theta energy: -201.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2333.267792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.267792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.267792 (E_RNA) where: Base-Base interactions energy: -1693.716 where: short stacking energy: -679.642 Base-Backbone interact. energy: 0.439 local terms energy: -639.991216 where: bonds (distance) C4'-P energy: -109.865 bonds (distance) P-C4' energy: -111.571 flat angles C4'-P-C4' energy: -137.441 flat angles P-C4'-P energy: -82.540 tors. eta vs tors. theta energy: -198.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2197.874879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.874879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.874879 (E_RNA) where: Base-Base interactions energy: -1553.053 where: short stacking energy: -642.034 Base-Backbone interact. energy: 0.938 local terms energy: -645.759603 where: bonds (distance) C4'-P energy: -112.257 bonds (distance) P-C4' energy: -128.590 flat angles C4'-P-C4' energy: -136.234 flat angles P-C4'-P energy: -89.862 tors. eta vs tors. theta energy: -178.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2139.617410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.617410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.617410 (E_RNA) where: Base-Base interactions energy: -1489.744 where: short stacking energy: -625.036 Base-Backbone interact. energy: 3.892 local terms energy: -653.765964 where: bonds (distance) C4'-P energy: -119.076 bonds (distance) P-C4' energy: -126.524 flat angles C4'-P-C4' energy: -141.136 flat angles P-C4'-P energy: -87.085 tors. eta vs tors. theta energy: -179.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1912.559914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.559914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.559914 (E_RNA) where: Base-Base interactions energy: -1331.147 where: short stacking energy: -568.664 Base-Backbone interact. energy: -0.523 local terms energy: -580.890460 where: bonds (distance) C4'-P energy: -103.278 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -129.028 flat angles P-C4'-P energy: -74.238 tors. eta vs tors. theta energy: -158.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1470.669074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.669074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.669074 (E_RNA) where: Base-Base interactions energy: -983.499 where: short stacking energy: -428.600 Base-Backbone interact. energy: 0.262 local terms energy: -487.432150 where: bonds (distance) C4'-P energy: -97.055 bonds (distance) P-C4' energy: -106.569 flat angles C4'-P-C4' energy: -122.140 flat angles P-C4'-P energy: -72.697 tors. eta vs tors. theta energy: -88.972 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: 304 Temperature: 1.350000 Total energy: -1207.823148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.823148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.823148 (E_RNA) where: Base-Base interactions energy: -797.415 where: short stacking energy: -344.201 Base-Backbone interact. energy: -1.414 local terms energy: -408.994473 where: bonds (distance) C4'-P energy: -86.579 bonds (distance) P-C4' energy: -104.990 flat angles C4'-P-C4' energy: -109.437 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: -56.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2628.702733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.702733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.702733 (E_RNA) where: Base-Base interactions energy: -1858.853 where: short stacking energy: -769.828 Base-Backbone interact. energy: 0.273 local terms energy: -770.122644 where: bonds (distance) C4'-P energy: -138.924 bonds (distance) P-C4' energy: -122.447 flat angles C4'-P-C4' energy: -162.108 flat angles P-C4'-P energy: -107.295 tors. eta vs tors. theta energy: -239.350 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: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2570.073476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.073476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.073476 (E_RNA) where: Base-Base interactions energy: -1823.761 where: short stacking energy: -761.799 Base-Backbone interact. energy: -2.182 local terms energy: -744.130476 where: bonds (distance) C4'-P energy: -126.861 bonds (distance) P-C4' energy: -122.737 flat angles C4'-P-C4' energy: -161.965 flat angles P-C4'-P energy: -106.964 tors. eta vs tors. theta energy: -225.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2468.333170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.333170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.333170 (E_RNA) where: Base-Base interactions energy: -1762.145 where: short stacking energy: -741.015 Base-Backbone interact. energy: -0.654 local terms energy: -705.534088 where: bonds (distance) C4'-P energy: -116.029 bonds (distance) P-C4' energy: -125.132 flat angles C4'-P-C4' energy: -144.724 flat angles P-C4'-P energy: -110.843 tors. eta vs tors. theta energy: -208.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2400.310597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.310597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.310597 (E_RNA) where: Base-Base interactions energy: -1708.048 where: short stacking energy: -690.896 Base-Backbone interact. energy: -3.733 local terms energy: -688.529350 where: bonds (distance) C4'-P energy: -107.433 bonds (distance) P-C4' energy: -121.164 flat angles C4'-P-C4' energy: -151.032 flat angles P-C4'-P energy: -101.298 tors. eta vs tors. theta energy: -207.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2339.633003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.633003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.633003 (E_RNA) where: Base-Base interactions energy: -1645.807 where: short stacking energy: -691.069 Base-Backbone interact. energy: -3.010 local terms energy: -690.815319 where: bonds (distance) C4'-P energy: -106.308 bonds (distance) P-C4' energy: -115.057 flat angles C4'-P-C4' energy: -145.580 flat angles P-C4'-P energy: -108.971 tors. eta vs tors. theta energy: -214.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2097.487447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.487447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.487447 (E_RNA) where: Base-Base interactions energy: -1485.367 where: short stacking energy: -629.474 Base-Backbone interact. energy: -2.840 local terms energy: -609.280385 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -106.532 flat angles C4'-P-C4' energy: -139.051 flat angles P-C4'-P energy: -72.551 tors. eta vs tors. theta energy: -181.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2099.020487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.020487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.020487 (E_RNA) where: Base-Base interactions energy: -1459.647 where: short stacking energy: -600.827 Base-Backbone interact. energy: -1.181 local terms energy: -638.193345 where: bonds (distance) C4'-P energy: -112.895 bonds (distance) P-C4' energy: -124.332 flat angles C4'-P-C4' energy: -139.456 flat angles P-C4'-P energy: -87.605 tors. eta vs tors. theta energy: -173.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1883.288402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.288402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.288402 (E_RNA) where: Base-Base interactions energy: -1314.892 where: short stacking energy: -552.048 Base-Backbone interact. energy: 7.090 local terms energy: -575.486311 where: bonds (distance) C4'-P energy: -107.940 bonds (distance) P-C4' energy: -94.066 flat angles C4'-P-C4' energy: -119.323 flat angles P-C4'-P energy: -90.159 tors. eta vs tors. theta energy: -163.998 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: 9, replica: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1509.375258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.375258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.375258 (E_RNA) where: Base-Base interactions energy: -971.281 where: short stacking energy: -409.831 Base-Backbone interact. energy: -1.513 local terms energy: -536.581547 where: bonds (distance) C4'-P energy: -114.395 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -122.288 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -90.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1246.796207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.796207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.796207 (E_RNA) where: Base-Base interactions energy: -804.976 where: short stacking energy: -353.807 Base-Backbone interact. energy: 1.292 local terms energy: -443.112667 where: bonds (distance) C4'-P energy: -107.209 bonds (distance) P-C4' energy: -104.059 flat angles C4'-P-C4' energy: -108.374 flat angles P-C4'-P energy: -65.580 tors. eta vs tors. theta energy: -57.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2647.891498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.891498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.891498 (E_RNA) where: Base-Base interactions energy: -1870.933 where: short stacking energy: -800.752 Base-Backbone interact. energy: -2.380 local terms energy: -774.578428 where: bonds (distance) C4'-P energy: -129.880 bonds (distance) P-C4' energy: -143.308 flat angles C4'-P-C4' energy: -160.031 flat angles P-C4'-P energy: -100.215 tors. eta vs tors. theta energy: -241.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2564.795493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.795493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.795493 (E_RNA) where: Base-Base interactions energy: -1810.525 where: short stacking energy: -763.149 Base-Backbone interact. energy: 0.143 local terms energy: -754.413062 where: bonds (distance) C4'-P energy: -125.029 bonds (distance) P-C4' energy: -141.220 flat angles C4'-P-C4' energy: -157.532 flat angles P-C4'-P energy: -103.208 tors. eta vs tors. theta energy: -227.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2523.770497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.770497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.770497 (E_RNA) where: Base-Base interactions energy: -1779.366 where: short stacking energy: -737.714 Base-Backbone interact. energy: -1.993 local terms energy: -742.412058 where: bonds (distance) C4'-P energy: -119.859 bonds (distance) P-C4' energy: -136.743 flat angles C4'-P-C4' energy: -152.545 flat angles P-C4'-P energy: -103.363 tors. eta vs tors. theta energy: -229.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2407.301760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.301760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.301760 (E_RNA) where: Base-Base interactions energy: -1702.259 where: short stacking energy: -703.296 Base-Backbone interact. energy: 0.506 local terms energy: -705.548132 where: bonds (distance) C4'-P energy: -126.084 bonds (distance) P-C4' energy: -119.366 flat angles C4'-P-C4' energy: -145.040 flat angles P-C4'-P energy: -102.291 tors. eta vs tors. theta energy: -212.767 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: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2307.033269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.033269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.033269 (E_RNA) where: Base-Base interactions energy: -1622.671 where: short stacking energy: -653.627 Base-Backbone interact. energy: -2.619 local terms energy: -681.743401 where: bonds (distance) C4'-P energy: -104.045 bonds (distance) P-C4' energy: -134.127 flat angles C4'-P-C4' energy: -152.724 flat angles P-C4'-P energy: -78.729 tors. eta vs tors. theta energy: -212.118 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: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2085.615999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.615999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.615999 (E_RNA) where: Base-Base interactions energy: -1463.022 where: short stacking energy: -611.585 Base-Backbone interact. energy: -2.160 local terms energy: -620.434141 where: bonds (distance) C4'-P energy: -107.509 bonds (distance) P-C4' energy: -110.283 flat angles C4'-P-C4' energy: -125.155 flat angles P-C4'-P energy: -103.277 tors. eta vs tors. theta energy: -174.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2113.903604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.903604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.903604 (E_RNA) where: Base-Base interactions energy: -1491.150 where: short stacking energy: -622.434 Base-Backbone interact. energy: 0.437 local terms energy: -623.190098 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -115.634 flat angles C4'-P-C4' energy: -140.829 flat angles P-C4'-P energy: -83.178 tors. eta vs tors. theta energy: -177.440 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: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1857.496275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.496275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.496275 (E_RNA) where: Base-Base interactions energy: -1274.199 where: short stacking energy: -554.863 Base-Backbone interact. energy: -1.163 local terms energy: -582.134089 where: bonds (distance) C4'-P energy: -97.553 bonds (distance) P-C4' energy: -120.140 flat angles C4'-P-C4' energy: -126.673 flat angles P-C4'-P energy: -88.376 tors. eta vs tors. theta energy: -149.391 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: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1504.596241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.596241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.596241 (E_RNA) where: Base-Base interactions energy: -1048.364 where: short stacking energy: -429.509 Base-Backbone interact. energy: -1.375 local terms energy: -454.857001 where: bonds (distance) C4'-P energy: -89.324 bonds (distance) P-C4' energy: -95.949 flat angles C4'-P-C4' energy: -113.589 flat angles P-C4'-P energy: -69.083 tors. eta vs tors. theta energy: -86.912 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: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1228.347634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.347634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.347634 (E_RNA) where: Base-Base interactions energy: -792.692 where: short stacking energy: -365.099 Base-Backbone interact. energy: -2.748 local terms energy: -432.906902 where: bonds (distance) C4'-P energy: -99.433 bonds (distance) P-C4' energy: -95.261 flat angles C4'-P-C4' energy: -109.973 flat angles P-C4'-P energy: -63.963 tors. eta vs tors. theta energy: -64.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2652.672821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.672821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.672821 (E_RNA) where: Base-Base interactions energy: -1879.435 where: short stacking energy: -805.191 Base-Backbone interact. energy: -2.031 local terms energy: -771.206937 where: bonds (distance) C4'-P energy: -130.561 bonds (distance) P-C4' energy: -130.443 flat angles C4'-P-C4' energy: -163.634 flat angles P-C4'-P energy: -107.143 tors. eta vs tors. theta energy: -239.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2552.060906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.060906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.060906 (E_RNA) where: Base-Base interactions energy: -1811.991 where: short stacking energy: -743.970 Base-Backbone interact. energy: -2.691 local terms energy: -737.378576 where: bonds (distance) C4'-P energy: -111.844 bonds (distance) P-C4' energy: -132.807 flat angles C4'-P-C4' energy: -151.652 flat angles P-C4'-P energy: -111.935 tors. eta vs tors. theta energy: -229.141 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: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2524.460880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.460880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.460880 (E_RNA) where: Base-Base interactions energy: -1805.163 where: short stacking energy: -748.310 Base-Backbone interact. energy: -1.406 local terms energy: -717.891599 where: bonds (distance) C4'-P energy: -115.229 bonds (distance) P-C4' energy: -106.004 flat angles C4'-P-C4' energy: -161.597 flat angles P-C4'-P energy: -102.879 tors. eta vs tors. theta energy: -232.183 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: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2422.196982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.196982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.196982 (E_RNA) where: Base-Base interactions energy: -1702.435 where: short stacking energy: -699.514 Base-Backbone interact. energy: -0.857 local terms energy: -718.905654 where: bonds (distance) C4'-P energy: -135.431 bonds (distance) P-C4' energy: -126.934 flat angles C4'-P-C4' energy: -149.798 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -211.011 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: 307 Temperature: 1.100000 Total energy: -2338.395898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.395898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.395898 (E_RNA) where: Base-Base interactions energy: -1679.064 where: short stacking energy: -675.503 Base-Backbone interact. energy: -0.844 local terms energy: -658.488036 where: bonds (distance) C4'-P energy: -120.826 bonds (distance) P-C4' energy: -88.418 flat angles C4'-P-C4' energy: -149.992 flat angles P-C4'-P energy: -90.711 tors. eta vs tors. theta energy: -208.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2147.236426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.236426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.236426 (E_RNA) where: Base-Base interactions energy: -1501.397 where: short stacking energy: -610.016 Base-Backbone interact. energy: -2.918 local terms energy: -642.921756 where: bonds (distance) C4'-P energy: -115.299 bonds (distance) P-C4' energy: -127.054 flat angles C4'-P-C4' energy: -143.529 flat angles P-C4'-P energy: -86.652 tors. eta vs tors. theta energy: -170.388 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: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2077.308197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.308197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.308197 (E_RNA) where: Base-Base interactions energy: -1440.508 where: short stacking energy: -598.019 Base-Backbone interact. energy: -1.508 local terms energy: -635.292556 where: bonds (distance) C4'-P energy: -121.152 bonds (distance) P-C4' energy: -116.290 flat angles C4'-P-C4' energy: -135.424 flat angles P-C4'-P energy: -88.747 tors. eta vs tors. theta energy: -173.680 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: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1897.204846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.204846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.204846 (E_RNA) where: Base-Base interactions energy: -1315.004 where: short stacking energy: -552.273 Base-Backbone interact. energy: 3.268 local terms energy: -585.468511 where: bonds (distance) C4'-P energy: -105.289 bonds (distance) P-C4' energy: -110.801 flat angles C4'-P-C4' energy: -127.056 flat angles P-C4'-P energy: -86.073 tors. eta vs tors. theta energy: -156.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1541.841140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.841140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.841140 (E_RNA) where: Base-Base interactions energy: -1064.985 where: short stacking energy: -464.716 Base-Backbone interact. energy: 0.156 local terms energy: -477.012389 where: bonds (distance) C4'-P energy: -105.915 bonds (distance) P-C4' energy: -113.628 flat angles C4'-P-C4' energy: -103.500 flat angles P-C4'-P energy: -54.097 tors. eta vs tors. theta energy: -99.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1246.394507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.394507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.394507 (E_RNA) where: Base-Base interactions energy: -817.759 where: short stacking energy: -338.109 Base-Backbone interact. energy: 1.328 local terms energy: -429.963598 where: bonds (distance) C4'-P energy: -98.526 bonds (distance) P-C4' energy: -87.574 flat angles C4'-P-C4' energy: -114.158 flat angles P-C4'-P energy: -64.830 tors. eta vs tors. theta energy: -64.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2638.949295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.949295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.949295 (E_RNA) where: Base-Base interactions energy: -1854.711 where: short stacking energy: -798.774 Base-Backbone interact. energy: -0.552 local terms energy: -783.686161 where: bonds (distance) C4'-P energy: -132.788 bonds (distance) P-C4' energy: -118.728 flat angles C4'-P-C4' energy: -168.652 flat angles P-C4'-P energy: -118.042 tors. eta vs tors. theta energy: -245.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2563.413077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.413077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.413077 (E_RNA) where: Base-Base interactions energy: -1805.686 where: short stacking energy: -739.168 Base-Backbone interact. energy: -2.366 local terms energy: -755.360621 where: bonds (distance) C4'-P energy: -140.530 bonds (distance) P-C4' energy: -132.934 flat angles C4'-P-C4' energy: -151.399 flat angles P-C4'-P energy: -101.524 tors. eta vs tors. theta energy: -228.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2534.860973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.860973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.860973 (E_RNA) where: Base-Base interactions energy: -1809.084 where: short stacking energy: -750.108 Base-Backbone interact. energy: -2.605 local terms energy: -723.171865 where: bonds (distance) C4'-P energy: -113.501 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -153.487 flat angles P-C4'-P energy: -111.830 tors. eta vs tors. theta energy: -222.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2428.981831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.981831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.981831 (E_RNA) where: Base-Base interactions energy: -1722.084 where: short stacking energy: -720.948 Base-Backbone interact. energy: -1.273 local terms energy: -705.624770 where: bonds (distance) C4'-P energy: -118.707 bonds (distance) P-C4' energy: -125.913 flat angles C4'-P-C4' energy: -148.694 flat angles P-C4'-P energy: -88.187 tors. eta vs tors. theta energy: -224.123 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: 5, replica: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2358.623778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.623778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.623778 (E_RNA) where: Base-Base interactions energy: -1670.829 where: short stacking energy: -683.825 Base-Backbone interact. energy: 0.362 local terms energy: -688.156304 where: bonds (distance) C4'-P energy: -126.194 bonds (distance) P-C4' energy: -135.414 flat angles C4'-P-C4' energy: -138.643 flat angles P-C4'-P energy: -86.934 tors. eta vs tors. theta energy: -200.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2172.177780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.177780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.177780 (E_RNA) where: Base-Base interactions energy: -1509.386 where: short stacking energy: -607.693 Base-Backbone interact. energy: -0.279 local terms energy: -662.512619 where: bonds (distance) C4'-P energy: -118.346 bonds (distance) P-C4' energy: -123.143 flat angles C4'-P-C4' energy: -144.169 flat angles P-C4'-P energy: -103.294 tors. eta vs tors. theta energy: -173.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2109.799172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.799172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.799172 (E_RNA) where: Base-Base interactions energy: -1460.022 where: short stacking energy: -619.794 Base-Backbone interact. energy: -3.732 local terms energy: -646.044774 where: bonds (distance) C4'-P energy: -117.152 bonds (distance) P-C4' energy: -117.244 flat angles C4'-P-C4' energy: -146.959 flat angles P-C4'-P energy: -101.245 tors. eta vs tors. theta energy: -163.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1963.728753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.728753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.728753 (E_RNA) where: Base-Base interactions energy: -1358.481 where: short stacking energy: -565.187 Base-Backbone interact. energy: 0.156 local terms energy: -605.403812 where: bonds (distance) C4'-P energy: -114.750 bonds (distance) P-C4' energy: -107.013 flat angles C4'-P-C4' energy: -124.719 flat angles P-C4'-P energy: -88.913 tors. eta vs tors. theta energy: -170.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1519.932578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.932578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.932578 (E_RNA) where: Base-Base interactions energy: -1042.043 where: short stacking energy: -435.410 Base-Backbone interact. energy: -1.894 local terms energy: -475.996088 where: bonds (distance) C4'-P energy: -99.407 bonds (distance) P-C4' energy: -98.919 flat angles C4'-P-C4' energy: -117.505 flat angles P-C4'-P energy: -56.577 tors. eta vs tors. theta energy: -103.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1311.393251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.393251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.393251 (E_RNA) where: Base-Base interactions energy: -874.420 where: short stacking energy: -366.107 Base-Backbone interact. energy: -0.576 local terms energy: -436.396735 where: bonds (distance) C4'-P energy: -82.322 bonds (distance) P-C4' energy: -116.070 flat angles C4'-P-C4' energy: -90.534 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: -66.899 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: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2658.731444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.731444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.731444 (E_RNA) where: Base-Base interactions energy: -1878.757 where: short stacking energy: -789.942 Base-Backbone interact. energy: -0.613 local terms energy: -779.361296 where: bonds (distance) C4'-P energy: -125.809 bonds (distance) P-C4' energy: -133.612 flat angles C4'-P-C4' energy: -160.303 flat angles P-C4'-P energy: -111.110 tors. eta vs tors. theta energy: -248.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2549.142670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.142670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.142670 (E_RNA) where: Base-Base interactions energy: -1807.392 where: short stacking energy: -743.981 Base-Backbone interact. energy: -0.701 local terms energy: -741.050019 where: bonds (distance) C4'-P energy: -122.932 bonds (distance) P-C4' energy: -130.819 flat angles C4'-P-C4' energy: -151.416 flat angles P-C4'-P energy: -111.834 tors. eta vs tors. theta energy: -224.049 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: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2542.952325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.952325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.952325 (E_RNA) where: Base-Base interactions energy: -1834.259 where: short stacking energy: -742.384 Base-Backbone interact. energy: -1.918 local terms energy: -706.775509 where: bonds (distance) C4'-P energy: -123.613 bonds (distance) P-C4' energy: -118.839 flat angles C4'-P-C4' energy: -145.119 flat angles P-C4'-P energy: -103.136 tors. eta vs tors. theta energy: -216.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2455.910694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.910694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.910694 (E_RNA) where: Base-Base interactions energy: -1773.824 where: short stacking energy: -728.448 Base-Backbone interact. energy: -1.858 local terms energy: -680.228910 where: bonds (distance) C4'-P energy: -115.181 bonds (distance) P-C4' energy: -111.221 flat angles C4'-P-C4' energy: -137.670 flat angles P-C4'-P energy: -97.516 tors. eta vs tors. theta energy: -218.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2376.461441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.461441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.461441 (E_RNA) where: Base-Base interactions energy: -1679.000 where: short stacking energy: -685.063 Base-Backbone interact. energy: -1.189 local terms energy: -696.271951 where: bonds (distance) C4'-P energy: -129.707 bonds (distance) P-C4' energy: -115.349 flat angles C4'-P-C4' energy: -136.659 flat angles P-C4'-P energy: -98.938 tors. eta vs tors. theta energy: -215.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2148.305834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.305834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.305834 (E_RNA) where: Base-Base interactions energy: -1488.176 where: short stacking energy: -623.122 Base-Backbone interact. energy: -0.446 local terms energy: -659.683847 where: bonds (distance) C4'-P energy: -128.552 bonds (distance) P-C4' energy: -115.983 flat angles C4'-P-C4' energy: -138.709 flat angles P-C4'-P energy: -90.876 tors. eta vs tors. theta energy: -185.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2086.022535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.022535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.022535 (E_RNA) where: Base-Base interactions energy: -1454.394 where: short stacking energy: -603.318 Base-Backbone interact. energy: -2.132 local terms energy: -629.496277 where: bonds (distance) C4'-P energy: -105.043 bonds (distance) P-C4' energy: -119.539 flat angles C4'-P-C4' energy: -137.889 flat angles P-C4'-P energy: -93.665 tors. eta vs tors. theta energy: -173.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1914.497893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.497893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.497893 (E_RNA) where: Base-Base interactions energy: -1290.717 where: short stacking energy: -531.074 Base-Backbone interact. energy: -1.739 local terms energy: -622.042092 where: bonds (distance) C4'-P energy: -107.611 bonds (distance) P-C4' energy: -115.916 flat angles C4'-P-C4' energy: -136.313 flat angles P-C4'-P energy: -83.707 tors. eta vs tors. theta energy: -178.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1519.841826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.841826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.841826 (E_RNA) where: Base-Base interactions energy: -1039.376 where: short stacking energy: -465.293 Base-Backbone interact. energy: 1.414 local terms energy: -481.879805 where: bonds (distance) C4'-P energy: -109.335 bonds (distance) P-C4' energy: -83.670 flat angles C4'-P-C4' energy: -114.257 flat angles P-C4'-P energy: -69.287 tors. eta vs tors. theta energy: -105.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1297.023597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.023597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.023597 (E_RNA) where: Base-Base interactions energy: -857.382 where: short stacking energy: -353.963 Base-Backbone interact. energy: 3.031 local terms energy: -442.672101 where: bonds (distance) C4'-P energy: -98.520 bonds (distance) P-C4' energy: -122.759 flat angles C4'-P-C4' energy: -91.581 flat angles P-C4'-P energy: -69.493 tors. eta vs tors. theta energy: -60.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2641.055058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.055058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.055058 (E_RNA) where: Base-Base interactions energy: -1867.964 where: short stacking energy: -800.949 Base-Backbone interact. energy: -0.490 local terms energy: -772.601322 where: bonds (distance) C4'-P energy: -120.289 bonds (distance) P-C4' energy: -127.119 flat angles C4'-P-C4' energy: -166.048 flat angles P-C4'-P energy: -112.913 tors. eta vs tors. theta energy: -246.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2544.481390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.481390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.481390 (E_RNA) where: Base-Base interactions energy: -1826.500 where: short stacking energy: -745.499 Base-Backbone interact. energy: -3.090 local terms energy: -714.891166 where: bonds (distance) C4'-P energy: -121.852 bonds (distance) P-C4' energy: -119.293 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -96.053 tors. eta vs tors. theta energy: -224.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2547.631098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.631098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.631098 (E_RNA) where: Base-Base interactions energy: -1800.709 where: short stacking energy: -719.878 Base-Backbone interact. energy: -3.194 local terms energy: -743.728360 where: bonds (distance) C4'-P energy: -120.927 bonds (distance) P-C4' energy: -135.890 flat angles C4'-P-C4' energy: -155.012 flat angles P-C4'-P energy: -108.917 tors. eta vs tors. theta energy: -222.982 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: 1 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2433.663560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.663560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.663560 (E_RNA) where: Base-Base interactions energy: -1722.056 where: short stacking energy: -733.408 Base-Backbone interact. energy: -1.825 local terms energy: -709.783012 where: bonds (distance) C4'-P energy: -117.973 bonds (distance) P-C4' energy: -103.256 flat angles C4'-P-C4' energy: -162.681 flat angles P-C4'-P energy: -101.353 tors. eta vs tors. theta energy: -224.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2355.141186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.141186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.141186 (E_RNA) where: Base-Base interactions energy: -1678.665 where: short stacking energy: -687.601 Base-Backbone interact. energy: -2.659 local terms energy: -673.816757 where: bonds (distance) C4'-P energy: -101.345 bonds (distance) P-C4' energy: -135.898 flat angles C4'-P-C4' energy: -149.129 flat angles P-C4'-P energy: -81.506 tors. eta vs tors. theta energy: -205.939 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: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2205.693086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.693086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.693086 (E_RNA) where: Base-Base interactions energy: -1568.880 where: short stacking energy: -643.794 Base-Backbone interact. energy: -2.389 local terms energy: -634.424136 where: bonds (distance) C4'-P energy: -111.007 bonds (distance) P-C4' energy: -115.293 flat angles C4'-P-C4' energy: -137.127 flat angles P-C4'-P energy: -90.751 tors. eta vs tors. theta energy: -180.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2098.626704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.626704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.626704 (E_RNA) where: Base-Base interactions energy: -1471.169 where: short stacking energy: -599.213 Base-Backbone interact. energy: 4.051 local terms energy: -631.508470 where: bonds (distance) C4'-P energy: -115.175 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -142.193 flat angles P-C4'-P energy: -88.343 tors. eta vs tors. theta energy: -171.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1870.387918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.387918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.387918 (E_RNA) where: Base-Base interactions energy: -1305.522 where: short stacking energy: -544.793 Base-Backbone interact. energy: -1.553 local terms energy: -563.313060 where: bonds (distance) C4'-P energy: -125.425 bonds (distance) P-C4' energy: -94.535 flat angles C4'-P-C4' energy: -129.120 flat angles P-C4'-P energy: -67.178 tors. eta vs tors. theta energy: -147.055 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: 5 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1564.449164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.449164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.449164 (E_RNA) where: Base-Base interactions energy: -1067.505 where: short stacking energy: -409.534 Base-Backbone interact. energy: -2.378 local terms energy: -494.566056 where: bonds (distance) C4'-P energy: -101.489 bonds (distance) P-C4' energy: -105.275 flat angles C4'-P-C4' energy: -129.196 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -79.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1251.440225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.440225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.440225 (E_RNA) where: Base-Base interactions energy: -792.495 where: short stacking energy: -330.695 Base-Backbone interact. energy: -2.991 local terms energy: -455.953736 where: bonds (distance) C4'-P energy: -121.512 bonds (distance) P-C4' energy: -125.451 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -49.407 tors. eta vs tors. theta energy: -62.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2632.257219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.257219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.257219 (E_RNA) where: Base-Base interactions energy: -1858.047 where: short stacking energy: -762.211 Base-Backbone interact. energy: -2.830 local terms energy: -771.379488 where: bonds (distance) C4'-P energy: -127.434 bonds (distance) P-C4' energy: -135.273 flat angles C4'-P-C4' energy: -157.766 flat angles P-C4'-P energy: -113.482 tors. eta vs tors. theta energy: -237.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2561.010815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.010815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.010815 (E_RNA) where: Base-Base interactions energy: -1816.197 where: short stacking energy: -746.046 Base-Backbone interact. energy: 0.610 local terms energy: -745.423724 where: bonds (distance) C4'-P energy: -140.479 bonds (distance) P-C4' energy: -124.158 flat angles C4'-P-C4' energy: -152.195 flat angles P-C4'-P energy: -104.319 tors. eta vs tors. theta energy: -224.273 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: 6 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2510.032057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.032057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.032057 (E_RNA) where: Base-Base interactions energy: -1761.040 where: short stacking energy: -715.895 Base-Backbone interact. energy: -1.982 local terms energy: -747.009950 where: bonds (distance) C4'-P energy: -134.349 bonds (distance) P-C4' energy: -134.709 flat angles C4'-P-C4' energy: -153.725 flat angles P-C4'-P energy: -103.731 tors. eta vs tors. theta energy: -220.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2449.198127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.198127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.198127 (E_RNA) where: Base-Base interactions energy: -1758.083 where: short stacking energy: -717.866 Base-Backbone interact. energy: 2.653 local terms energy: -693.767801 where: bonds (distance) C4'-P energy: -122.162 bonds (distance) P-C4' energy: -110.412 flat angles C4'-P-C4' energy: -145.238 flat angles P-C4'-P energy: -96.821 tors. eta vs tors. theta energy: -219.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2368.210017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.210017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.210017 (E_RNA) where: Base-Base interactions energy: -1681.445 where: short stacking energy: -691.991 Base-Backbone interact. energy: -1.400 local terms energy: -685.365517 where: bonds (distance) C4'-P energy: -120.271 bonds (distance) P-C4' energy: -124.694 flat angles C4'-P-C4' energy: -135.712 flat angles P-C4'-P energy: -91.805 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: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2192.603133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.603133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.603133 (E_RNA) where: Base-Base interactions energy: -1543.061 where: short stacking energy: -615.695 Base-Backbone interact. energy: 0.767 local terms energy: -650.309526 where: bonds (distance) C4'-P energy: -113.319 bonds (distance) P-C4' energy: -127.879 flat angles C4'-P-C4' energy: -128.579 flat angles P-C4'-P energy: -96.649 tors. eta vs tors. theta energy: -183.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2044.390621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.390621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.390621 (E_RNA) where: Base-Base interactions energy: -1445.288 where: short stacking energy: -608.573 Base-Backbone interact. energy: -4.176 local terms energy: -594.926737 where: bonds (distance) C4'-P energy: -116.933 bonds (distance) P-C4' energy: -108.724 flat angles C4'-P-C4' energy: -132.248 flat angles P-C4'-P energy: -74.107 tors. eta vs tors. theta energy: -162.915 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: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1862.404454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.404454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.404454 (E_RNA) where: Base-Base interactions energy: -1304.508 where: short stacking energy: -551.028 Base-Backbone interact. energy: -1.663 local terms energy: -556.233119 where: bonds (distance) C4'-P energy: -106.961 bonds (distance) P-C4' energy: -93.024 flat angles C4'-P-C4' energy: -129.715 flat angles P-C4'-P energy: -77.965 tors. eta vs tors. theta energy: -148.568 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: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1607.799142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.799142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.799142 (E_RNA) where: Base-Base interactions energy: -1112.750 where: short stacking energy: -470.599 Base-Backbone interact. energy: 1.684 local terms energy: -496.732967 where: bonds (distance) C4'-P energy: -85.215 bonds (distance) P-C4' energy: -116.686 flat angles C4'-P-C4' energy: -115.326 flat angles P-C4'-P energy: -74.578 tors. eta vs tors. theta energy: -104.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1199.649558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.649558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.649558 (E_RNA) where: Base-Base interactions energy: -778.378 where: short stacking energy: -334.548 Base-Backbone interact. energy: 3.644 local terms energy: -424.915293 where: bonds (distance) C4'-P energy: -93.749 bonds (distance) P-C4' energy: -101.358 flat angles C4'-P-C4' energy: -103.540 flat angles P-C4'-P energy: -82.210 tors. eta vs tors. theta energy: -44.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2634.631510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.631510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.631510 (E_RNA) where: Base-Base interactions energy: -1823.870 where: short stacking energy: -757.632 Base-Backbone interact. energy: 1.182 local terms energy: -811.944080 where: bonds (distance) C4'-P energy: -150.373 bonds (distance) P-C4' energy: -138.594 flat angles C4'-P-C4' energy: -164.535 flat angles P-C4'-P energy: -117.462 tors. eta vs tors. theta energy: -240.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2559.807650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.807650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.807650 (E_RNA) where: Base-Base interactions energy: -1823.106 where: short stacking energy: -760.350 Base-Backbone interact. energy: -1.909 local terms energy: -734.792578 where: bonds (distance) C4'-P energy: -125.264 bonds (distance) P-C4' energy: -128.912 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -102.737 tors. eta vs tors. theta energy: -224.201 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: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2543.796559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.796559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.796559 (E_RNA) where: Base-Base interactions energy: -1830.224 where: short stacking energy: -737.684 Base-Backbone interact. energy: -2.009 local terms energy: -711.563178 where: bonds (distance) C4'-P energy: -106.836 bonds (distance) P-C4' energy: -125.356 flat angles C4'-P-C4' energy: -145.874 flat angles P-C4'-P energy: -103.899 tors. eta vs tors. theta energy: -229.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2448.099959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.099959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.099959 (E_RNA) where: Base-Base interactions energy: -1732.670 where: short stacking energy: -706.354 Base-Backbone interact. energy: 0.360 local terms energy: -715.790173 where: bonds (distance) C4'-P energy: -130.422 bonds (distance) P-C4' energy: -120.300 flat angles C4'-P-C4' energy: -154.491 flat angles P-C4'-P energy: -102.215 tors. eta vs tors. theta energy: -208.362 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: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2393.826073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.826073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.826073 (E_RNA) where: Base-Base interactions energy: -1700.079 where: short stacking energy: -691.849 Base-Backbone interact. energy: -1.897 local terms energy: -691.849726 where: bonds (distance) C4'-P energy: -109.906 bonds (distance) P-C4' energy: -128.004 flat angles C4'-P-C4' energy: -147.490 flat angles P-C4'-P energy: -87.988 tors. eta vs tors. theta energy: -218.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2209.996809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.996809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.996809 (E_RNA) where: Base-Base interactions energy: -1575.176 where: short stacking energy: -649.415 Base-Backbone interact. energy: -2.255 local terms energy: -632.565095 where: bonds (distance) C4'-P energy: -114.559 bonds (distance) P-C4' energy: -117.219 flat angles C4'-P-C4' energy: -136.359 flat angles P-C4'-P energy: -79.441 tors. eta vs tors. theta energy: -184.988 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: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2050.666961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.666961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.666961 (E_RNA) where: Base-Base interactions energy: -1427.776 where: short stacking energy: -588.779 Base-Backbone interact. energy: -2.234 local terms energy: -620.656645 where: bonds (distance) C4'-P energy: -115.676 bonds (distance) P-C4' energy: -120.088 flat angles C4'-P-C4' energy: -129.332 flat angles P-C4'-P energy: -88.448 tors. eta vs tors. theta energy: -167.113 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: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1843.778148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.778148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.778148 (E_RNA) where: Base-Base interactions energy: -1261.160 where: short stacking energy: -524.264 Base-Backbone interact. energy: -2.438 local terms energy: -580.179541 where: bonds (distance) C4'-P energy: -126.788 bonds (distance) P-C4' energy: -110.622 flat angles C4'-P-C4' energy: -118.578 flat angles P-C4'-P energy: -81.312 tors. eta vs tors. theta energy: -142.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1549.254780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.254780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.254780 (E_RNA) where: Base-Base interactions energy: -1030.548 where: short stacking energy: -427.820 Base-Backbone interact. energy: -1.694 local terms energy: -517.012594 where: bonds (distance) C4'-P energy: -96.815 bonds (distance) P-C4' energy: -116.932 flat angles C4'-P-C4' energy: -113.531 flat angles P-C4'-P energy: -83.900 tors. eta vs tors. theta energy: -105.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1193.823887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.823887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.823887 (E_RNA) where: Base-Base interactions energy: -754.795 where: short stacking energy: -318.007 Base-Backbone interact. energy: 2.362 local terms energy: -441.390285 where: bonds (distance) C4'-P energy: -92.078 bonds (distance) P-C4' energy: -108.319 flat angles C4'-P-C4' energy: -115.305 flat angles P-C4'-P energy: -73.867 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: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2641.747151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.747151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.747151 (E_RNA) where: Base-Base interactions energy: -1871.722 where: short stacking energy: -768.433 Base-Backbone interact. energy: -1.393 local terms energy: -768.631885 where: bonds (distance) C4'-P energy: -136.258 bonds (distance) P-C4' energy: -131.609 flat angles C4'-P-C4' energy: -155.614 flat angles P-C4'-P energy: -107.245 tors. eta vs tors. theta energy: -237.906 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: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2570.156749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.156749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.156749 (E_RNA) where: Base-Base interactions energy: -1855.388 where: short stacking energy: -745.522 Base-Backbone interact. energy: 2.356 local terms energy: -717.124936 where: bonds (distance) C4'-P energy: -112.567 bonds (distance) P-C4' energy: -131.341 flat angles C4'-P-C4' energy: -148.182 flat angles P-C4'-P energy: -101.034 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: 3, replica: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2555.637736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.637736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.637736 (E_RNA) where: Base-Base interactions energy: -1826.824 where: short stacking energy: -732.392 Base-Backbone interact. energy: -2.238 local terms energy: -726.575341 where: bonds (distance) C4'-P energy: -128.404 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -153.126 flat angles P-C4'-P energy: -95.634 tors. eta vs tors. theta energy: -217.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2458.615785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.615785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.615785 (E_RNA) where: Base-Base interactions energy: -1771.836 where: short stacking energy: -734.841 Base-Backbone interact. energy: -1.167 local terms energy: -685.612710 where: bonds (distance) C4'-P energy: -114.001 bonds (distance) P-C4' energy: -129.646 flat angles C4'-P-C4' energy: -138.465 flat angles P-C4'-P energy: -92.793 tors. eta vs tors. theta energy: -210.709 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: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2399.938513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.938513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.938513 (E_RNA) where: Base-Base interactions energy: -1722.883 where: short stacking energy: -722.835 Base-Backbone interact. energy: 1.658 local terms energy: -678.713859 where: bonds (distance) C4'-P energy: -125.003 bonds (distance) P-C4' energy: -111.667 flat angles C4'-P-C4' energy: -139.173 flat angles P-C4'-P energy: -77.678 tors. eta vs tors. theta energy: -225.194 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: 313 Temperature: 1.150000 Total energy: -2214.587476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.587476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.587476 (E_RNA) where: Base-Base interactions energy: -1568.922 where: short stacking energy: -638.091 Base-Backbone interact. energy: -1.680 local terms energy: -643.985218 where: bonds (distance) C4'-P energy: -113.732 bonds (distance) P-C4' energy: -110.165 flat angles C4'-P-C4' energy: -138.009 flat angles P-C4'-P energy: -89.189 tors. eta vs tors. theta energy: -192.890 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: 313 Temperature: 1.200000 Total energy: -2043.605271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.605271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.605271 (E_RNA) where: Base-Base interactions energy: -1396.891 where: short stacking energy: -552.584 Base-Backbone interact. energy: 2.237 local terms energy: -648.951845 where: bonds (distance) C4'-P energy: -115.787 bonds (distance) P-C4' energy: -123.993 flat angles C4'-P-C4' energy: -130.836 flat angles P-C4'-P energy: -100.713 tors. eta vs tors. theta energy: -177.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1776.111921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.111921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.111921 (E_RNA) where: Base-Base interactions energy: -1209.958 where: short stacking energy: -506.506 Base-Backbone interact. energy: 2.639 local terms energy: -568.793024 where: bonds (distance) C4'-P energy: -93.790 bonds (distance) P-C4' energy: -123.508 flat angles C4'-P-C4' energy: -128.344 flat angles P-C4'-P energy: -83.590 tors. eta vs tors. theta energy: -139.561 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: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1512.702363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.702363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.702363 (E_RNA) where: Base-Base interactions energy: -1041.269 where: short stacking energy: -418.605 Base-Backbone interact. energy: -2.773 local terms energy: -468.660585 where: bonds (distance) C4'-P energy: -101.491 bonds (distance) P-C4' energy: -105.108 flat angles C4'-P-C4' energy: -103.967 flat angles P-C4'-P energy: -68.508 tors. eta vs tors. theta energy: -89.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1280.662807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.662807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.662807 (E_RNA) where: Base-Base interactions energy: -819.648 where: short stacking energy: -368.671 Base-Backbone interact. energy: -2.263 local terms energy: -458.751742 where: bonds (distance) C4'-P energy: -86.408 bonds (distance) P-C4' energy: -114.600 flat angles C4'-P-C4' energy: -113.102 flat angles P-C4'-P energy: -72.227 tors. eta vs tors. theta energy: -72.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2636.737911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.737911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.737911 (E_RNA) where: Base-Base interactions energy: -1857.944 where: short stacking energy: -783.419 Base-Backbone interact. energy: -0.366 local terms energy: -778.427623 where: bonds (distance) C4'-P energy: -132.618 bonds (distance) P-C4' energy: -129.413 flat angles C4'-P-C4' energy: -160.847 flat angles P-C4'-P energy: -110.642 tors. eta vs tors. theta energy: -244.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2587.149034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.149034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.149034 (E_RNA) where: Base-Base interactions energy: -1854.653 where: short stacking energy: -736.255 Base-Backbone interact. energy: -3.636 local terms energy: -728.860021 where: bonds (distance) C4'-P energy: -120.411 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -158.055 flat angles P-C4'-P energy: -103.337 tors. eta vs tors. theta energy: -225.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2531.286095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.286095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.286095 (E_RNA) where: Base-Base interactions energy: -1804.523 where: short stacking energy: -726.845 Base-Backbone interact. energy: -1.960 local terms energy: -724.802790 where: bonds (distance) C4'-P energy: -121.424 bonds (distance) P-C4' energy: -126.845 flat angles C4'-P-C4' energy: -147.519 flat angles P-C4'-P energy: -110.934 tors. eta vs tors. theta energy: -218.081 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: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2393.760409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.760409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.760409 (E_RNA) where: Base-Base interactions energy: -1733.692 where: short stacking energy: -694.730 Base-Backbone interact. energy: -2.996 local terms energy: -657.072254 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -130.254 flat angles C4'-P-C4' energy: -132.502 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -201.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2408.473882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.473882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.473882 (E_RNA) where: Base-Base interactions energy: -1706.763 where: short stacking energy: -698.333 Base-Backbone interact. energy: -1.478 local terms energy: -700.232560 where: bonds (distance) C4'-P energy: -111.235 bonds (distance) P-C4' energy: -115.639 flat angles C4'-P-C4' energy: -146.643 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -225.779 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2221.621424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.621424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.621424 (E_RNA) where: Base-Base interactions energy: -1600.627 where: short stacking energy: -647.031 Base-Backbone interact. energy: -0.760 local terms energy: -620.235013 where: bonds (distance) C4'-P energy: -98.766 bonds (distance) P-C4' energy: -131.059 flat angles C4'-P-C4' energy: -123.688 flat angles P-C4'-P energy: -86.799 tors. eta vs tors. theta energy: -179.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2076.991067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.991067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.991067 (E_RNA) where: Base-Base interactions energy: -1488.484 where: short stacking energy: -604.317 Base-Backbone interact. energy: 3.253 local terms energy: -591.760411 where: bonds (distance) C4'-P energy: -98.916 bonds (distance) P-C4' energy: -103.051 flat angles C4'-P-C4' energy: -133.226 flat angles P-C4'-P energy: -84.245 tors. eta vs tors. theta energy: -172.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1866.329928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.329928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.329928 (E_RNA) where: Base-Base interactions energy: -1290.768 where: short stacking energy: -533.839 Base-Backbone interact. energy: 2.947 local terms energy: -578.508881 where: bonds (distance) C4'-P energy: -89.023 bonds (distance) P-C4' energy: -114.908 flat angles C4'-P-C4' energy: -133.195 flat angles P-C4'-P energy: -91.916 tors. eta vs tors. theta energy: -149.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1519.098945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.098945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.098945 (E_RNA) where: Base-Base interactions energy: -1078.488 where: short stacking energy: -436.802 Base-Backbone interact. energy: 4.090 local terms energy: -444.700586 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -81.212 flat angles C4'-P-C4' energy: -122.169 flat angles P-C4'-P energy: -60.269 tors. eta vs tors. theta energy: -99.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1311.886178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.886178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.886178 (E_RNA) where: Base-Base interactions energy: -845.967 where: short stacking energy: -355.620 Base-Backbone interact. energy: 5.683 local terms energy: -471.601667 where: bonds (distance) C4'-P energy: -104.136 bonds (distance) P-C4' energy: -112.020 flat angles C4'-P-C4' energy: -112.674 flat angles P-C4'-P energy: -71.438 tors. eta vs tors. theta energy: -71.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2654.117105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.117105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.117105 (E_RNA) where: Base-Base interactions energy: -1856.480 where: short stacking energy: -772.591 Base-Backbone interact. energy: -2.341 local terms energy: -795.296249 where: bonds (distance) C4'-P energy: -138.454 bonds (distance) P-C4' energy: -135.483 flat angles C4'-P-C4' energy: -166.124 flat angles P-C4'-P energy: -115.914 tors. eta vs tors. theta energy: -239.321 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: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2582.385411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.385411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.385411 (E_RNA) where: Base-Base interactions energy: -1824.615 where: short stacking energy: -743.761 Base-Backbone interact. energy: -2.306 local terms energy: -755.463798 where: bonds (distance) C4'-P energy: -138.255 bonds (distance) P-C4' energy: -137.065 flat angles C4'-P-C4' energy: -157.773 flat angles P-C4'-P energy: -103.018 tors. eta vs tors. theta energy: -219.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2533.703970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.703970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.703970 (E_RNA) where: Base-Base interactions energy: -1783.800 where: short stacking energy: -734.901 Base-Backbone interact. energy: -3.030 local terms energy: -746.873871 where: bonds (distance) C4'-P energy: -129.585 bonds (distance) P-C4' energy: -136.718 flat angles C4'-P-C4' energy: -148.454 flat angles P-C4'-P energy: -114.333 tors. eta vs tors. theta energy: -217.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2430.405762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.405762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.405762 (E_RNA) where: Base-Base interactions energy: -1727.038 where: short stacking energy: -713.042 Base-Backbone interact. energy: -1.092 local terms energy: -702.274870 where: bonds (distance) C4'-P energy: -108.792 bonds (distance) P-C4' energy: -135.496 flat angles C4'-P-C4' energy: -146.317 flat angles P-C4'-P energy: -97.268 tors. eta vs tors. theta energy: -214.402 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: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2344.966276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.966276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.966276 (E_RNA) where: Base-Base interactions energy: -1667.433 where: short stacking energy: -667.591 Base-Backbone interact. energy: -2.957 local terms energy: -674.575883 where: bonds (distance) C4'-P energy: -120.808 bonds (distance) P-C4' energy: -119.470 flat angles C4'-P-C4' energy: -145.242 flat angles P-C4'-P energy: -88.122 tors. eta vs tors. theta energy: -200.934 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: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2231.477181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.477181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.477181 (E_RNA) where: Base-Base interactions energy: -1579.018 where: short stacking energy: -636.193 Base-Backbone interact. energy: 1.110 local terms energy: -653.568720 where: bonds (distance) C4'-P energy: -100.726 bonds (distance) P-C4' energy: -115.903 flat angles C4'-P-C4' energy: -143.020 flat angles P-C4'-P energy: -96.978 tors. eta vs tors. theta energy: -196.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2077.995727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.995727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.995727 (E_RNA) where: Base-Base interactions energy: -1443.279 where: short stacking energy: -590.081 Base-Backbone interact. energy: 1.749 local terms energy: -636.465550 where: bonds (distance) C4'-P energy: -118.539 bonds (distance) P-C4' energy: -129.999 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -86.489 tors. eta vs tors. theta energy: -165.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1842.671184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.671184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.671184 (E_RNA) where: Base-Base interactions energy: -1256.223 where: short stacking energy: -524.223 Base-Backbone interact. energy: 0.496 local terms energy: -586.944023 where: bonds (distance) C4'-P energy: -107.539 bonds (distance) P-C4' energy: -125.108 flat angles C4'-P-C4' energy: -121.491 flat angles P-C4'-P energy: -87.711 tors. eta vs tors. theta energy: -145.096 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: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1611.241044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.241044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.241044 (E_RNA) where: Base-Base interactions energy: -1091.709 where: short stacking energy: -450.190 Base-Backbone interact. energy: -2.131 local terms energy: -517.401424 where: bonds (distance) C4'-P energy: -112.519 bonds (distance) P-C4' energy: -120.336 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -89.327 tors. eta vs tors. theta energy: -83.381 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: 315 Temperature: 1.350000 Total energy: -1279.260060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.260060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.260060 (E_RNA) where: Base-Base interactions energy: -806.677 where: short stacking energy: -371.888 Base-Backbone interact. energy: 4.149 local terms energy: -476.731619 where: bonds (distance) C4'-P energy: -99.212 bonds (distance) P-C4' energy: -106.133 flat angles C4'-P-C4' energy: -121.501 flat angles P-C4'-P energy: -79.937 tors. eta vs tors. theta energy: -69.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2652.815207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.815207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.815207 (E_RNA) where: Base-Base interactions energy: -1882.598 where: short stacking energy: -806.505 Base-Backbone interact. energy: -0.694 local terms energy: -769.522933 where: bonds (distance) C4'-P energy: -134.203 bonds (distance) P-C4' energy: -129.903 flat angles C4'-P-C4' energy: -154.569 flat angles P-C4'-P energy: -112.078 tors. eta vs tors. theta energy: -238.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2604.789406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.789406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.789406 (E_RNA) where: Base-Base interactions energy: -1859.167 where: short stacking energy: -765.300 Base-Backbone interact. energy: -0.235 local terms energy: -745.387930 where: bonds (distance) C4'-P energy: -147.274 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -152.623 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -224.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2568.375549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.375549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.375549 (E_RNA) where: Base-Base interactions energy: -1822.650 where: short stacking energy: -748.296 Base-Backbone interact. energy: 2.317 local terms energy: -748.042421 where: bonds (distance) C4'-P energy: -138.380 bonds (distance) P-C4' energy: -135.023 flat angles C4'-P-C4' energy: -140.654 flat angles P-C4'-P energy: -109.688 tors. eta vs tors. theta energy: -224.297 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: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2436.144269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.144269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.144269 (E_RNA) where: Base-Base interactions energy: -1701.462 where: short stacking energy: -695.256 Base-Backbone interact. energy: -1.326 local terms energy: -733.355505 where: bonds (distance) C4'-P energy: -113.011 bonds (distance) P-C4' energy: -134.404 flat angles C4'-P-C4' energy: -157.931 flat angles P-C4'-P energy: -112.919 tors. eta vs tors. theta energy: -215.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2375.361228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.361228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.361228 (E_RNA) where: Base-Base interactions energy: -1698.987 where: short stacking energy: -676.742 Base-Backbone interact. energy: -1.482 local terms energy: -674.891774 where: bonds (distance) C4'-P energy: -112.534 bonds (distance) P-C4' energy: -123.427 flat angles C4'-P-C4' energy: -154.160 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -196.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2217.704256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.704256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.704256 (E_RNA) where: Base-Base interactions energy: -1610.781 where: short stacking energy: -648.122 Base-Backbone interact. energy: -2.577 local terms energy: -604.346475 where: bonds (distance) C4'-P energy: -113.252 bonds (distance) P-C4' energy: -109.318 flat angles C4'-P-C4' energy: -131.237 flat angles P-C4'-P energy: -74.967 tors. eta vs tors. theta energy: -175.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2095.636761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.636761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.636761 (E_RNA) where: Base-Base interactions energy: -1469.881 where: short stacking energy: -595.464 Base-Backbone interact. energy: 1.683 local terms energy: -627.439455 where: bonds (distance) C4'-P energy: -122.105 bonds (distance) P-C4' energy: -105.894 flat angles C4'-P-C4' energy: -140.739 flat angles P-C4'-P energy: -85.096 tors. eta vs tors. theta energy: -173.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1894.743783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.743783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.743783 (E_RNA) where: Base-Base interactions energy: -1295.980 where: short stacking energy: -541.303 Base-Backbone interact. energy: 13.187 local terms energy: -611.950630 where: bonds (distance) C4'-P energy: -98.146 bonds (distance) P-C4' energy: -121.590 flat angles C4'-P-C4' energy: -138.870 flat angles P-C4'-P energy: -84.948 tors. eta vs tors. theta energy: -168.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1598.884739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.884739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.884739 (E_RNA) where: Base-Base interactions energy: -1074.994 where: short stacking energy: -438.493 Base-Backbone interact. energy: 1.157 local terms energy: -525.047566 where: bonds (distance) C4'-P energy: -109.987 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -104.280 flat angles P-C4'-P energy: -79.231 tors. eta vs tors. theta energy: -125.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1337.987855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.987855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.987855 (E_RNA) where: Base-Base interactions energy: -872.823 where: short stacking energy: -371.799 Base-Backbone interact. energy: -4.140 local terms energy: -461.024979 where: bonds (distance) C4'-P energy: -105.323 bonds (distance) P-C4' energy: -111.016 flat angles C4'-P-C4' energy: -106.290 flat angles P-C4'-P energy: -61.977 tors. eta vs tors. theta energy: -76.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2655.820289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.820289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.820289 (E_RNA) where: Base-Base interactions energy: -1878.007 where: short stacking energy: -806.207 Base-Backbone interact. energy: -0.044 local terms energy: -777.769200 where: bonds (distance) C4'-P energy: -136.374 bonds (distance) P-C4' energy: -136.927 flat angles C4'-P-C4' energy: -156.924 flat angles P-C4'-P energy: -101.519 tors. eta vs tors. theta energy: -246.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2616.757159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.757159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.757159 (E_RNA) where: Base-Base interactions energy: -1874.942 where: short stacking energy: -756.146 Base-Backbone interact. energy: -1.758 local terms energy: -740.057279 where: bonds (distance) C4'-P energy: -124.337 bonds (distance) P-C4' energy: -118.791 flat angles C4'-P-C4' energy: -158.464 flat angles P-C4'-P energy: -104.539 tors. eta vs tors. theta energy: -233.926 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: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2507.229775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.229775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.229775 (E_RNA) where: Base-Base interactions energy: -1759.243 where: short stacking energy: -708.294 Base-Backbone interact. energy: 0.004 local terms energy: -747.990917 where: bonds (distance) C4'-P energy: -127.307 bonds (distance) P-C4' energy: -143.513 flat angles C4'-P-C4' energy: -167.010 flat angles P-C4'-P energy: -93.004 tors. eta vs tors. theta energy: -217.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2370.502819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.502819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.502819 (E_RNA) where: Base-Base interactions energy: -1691.287 where: short stacking energy: -656.902 Base-Backbone interact. energy: -2.394 local terms energy: -676.821341 where: bonds (distance) C4'-P energy: -129.734 bonds (distance) P-C4' energy: -115.362 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -96.369 tors. eta vs tors. theta energy: -189.294 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: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2394.742809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.742809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.742809 (E_RNA) where: Base-Base interactions energy: -1695.633 where: short stacking energy: -686.683 Base-Backbone interact. energy: 0.954 local terms energy: -700.063857 where: bonds (distance) C4'-P energy: -115.977 bonds (distance) P-C4' energy: -122.742 flat angles C4'-P-C4' energy: -154.946 flat angles P-C4'-P energy: -95.233 tors. eta vs tors. theta energy: -211.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2199.295554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.295554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.295554 (E_RNA) where: Base-Base interactions energy: -1561.476 where: short stacking energy: -602.250 Base-Backbone interact. energy: 0.442 local terms energy: -638.261512 where: bonds (distance) C4'-P energy: -122.769 bonds (distance) P-C4' energy: -117.773 flat angles C4'-P-C4' energy: -139.999 flat angles P-C4'-P energy: -80.981 tors. eta vs tors. theta energy: -176.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2060.849372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.849372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.849372 (E_RNA) where: Base-Base interactions energy: -1452.339 where: short stacking energy: -605.262 Base-Backbone interact. energy: -0.221 local terms energy: -608.289756 where: bonds (distance) C4'-P energy: -100.752 bonds (distance) P-C4' energy: -117.803 flat angles C4'-P-C4' energy: -132.899 flat angles P-C4'-P energy: -91.950 tors. eta vs tors. theta energy: -164.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1871.882842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.882842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.882842 (E_RNA) where: Base-Base interactions energy: -1301.598 where: short stacking energy: -555.574 Base-Backbone interact. energy: 1.054 local terms energy: -571.338661 where: bonds (distance) C4'-P energy: -122.359 bonds (distance) P-C4' energy: -91.363 flat angles C4'-P-C4' energy: -133.693 flat angles P-C4'-P energy: -63.018 tors. eta vs tors. theta energy: -160.905 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: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1501.489216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.489216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.489216 (E_RNA) where: Base-Base interactions energy: -1026.366 where: short stacking energy: -433.316 Base-Backbone interact. energy: 0.024 local terms energy: -475.146343 where: bonds (distance) C4'-P energy: -102.975 bonds (distance) P-C4' energy: -87.287 flat angles C4'-P-C4' energy: -120.834 flat angles P-C4'-P energy: -65.634 tors. eta vs tors. theta energy: -98.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1346.337675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.337675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.337675 (E_RNA) where: Base-Base interactions energy: -911.190 where: short stacking energy: -405.365 Base-Backbone interact. energy: 8.042 local terms energy: -443.189685 where: bonds (distance) C4'-P energy: -101.967 bonds (distance) P-C4' energy: -90.064 flat angles C4'-P-C4' energy: -103.624 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: -85.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2641.787312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.787312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.787312 (E_RNA) where: Base-Base interactions energy: -1888.940 where: short stacking energy: -792.956 Base-Backbone interact. energy: -2.723 local terms energy: -750.124949 where: bonds (distance) C4'-P energy: -126.104 bonds (distance) P-C4' energy: -123.675 flat angles C4'-P-C4' energy: -157.117 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -243.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2590.509766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.509766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.509766 (E_RNA) where: Base-Base interactions energy: -1848.944 where: short stacking energy: -761.538 Base-Backbone interact. energy: -1.442 local terms energy: -740.123468 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -132.360 flat angles C4'-P-C4' energy: -159.504 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -229.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2524.033395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.033395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.033395 (E_RNA) where: Base-Base interactions energy: -1775.648 where: short stacking energy: -727.381 Base-Backbone interact. energy: -2.516 local terms energy: -745.869632 where: bonds (distance) C4'-P energy: -132.925 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -148.252 flat angles P-C4'-P energy: -102.292 tors. eta vs tors. theta energy: -224.846 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: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2382.758951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.758951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.758951 (E_RNA) where: Base-Base interactions energy: -1698.083 where: short stacking energy: -695.646 Base-Backbone interact. energy: -2.684 local terms energy: -681.991901 where: bonds (distance) C4'-P energy: -120.210 bonds (distance) P-C4' energy: -123.596 flat angles C4'-P-C4' energy: -138.549 flat angles P-C4'-P energy: -97.400 tors. eta vs tors. theta energy: -202.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2399.600468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.600468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.600468 (E_RNA) where: Base-Base interactions energy: -1688.320 where: short stacking energy: -694.686 Base-Backbone interact. energy: -3.756 local terms energy: -707.524444 where: bonds (distance) C4'-P energy: -124.675 bonds (distance) P-C4' energy: -126.394 flat angles C4'-P-C4' energy: -140.349 flat angles P-C4'-P energy: -104.651 tors. eta vs tors. theta energy: -211.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2177.736086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.736086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.736086 (E_RNA) where: Base-Base interactions energy: -1523.309 where: short stacking energy: -628.371 Base-Backbone interact. energy: -1.188 local terms energy: -653.239366 where: bonds (distance) C4'-P energy: -121.282 bonds (distance) P-C4' energy: -109.676 flat angles C4'-P-C4' energy: -136.773 flat angles P-C4'-P energy: -105.970 tors. eta vs tors. theta energy: -179.538 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: 318 Temperature: 1.200000 Total energy: -2082.774606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.774606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.774606 (E_RNA) where: Base-Base interactions energy: -1474.907 where: short stacking energy: -630.020 Base-Backbone interact. energy: -3.095 local terms energy: -604.772431 where: bonds (distance) C4'-P energy: -90.243 bonds (distance) P-C4' energy: -107.942 flat angles C4'-P-C4' energy: -142.315 flat angles P-C4'-P energy: -90.347 tors. eta vs tors. theta energy: -173.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1830.679536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.679536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.679536 (E_RNA) where: Base-Base interactions energy: -1289.251 where: short stacking energy: -530.520 Base-Backbone interact. energy: -1.360 local terms energy: -540.068232 where: bonds (distance) C4'-P energy: -90.039 bonds (distance) P-C4' energy: -110.408 flat angles C4'-P-C4' energy: -124.849 flat angles P-C4'-P energy: -72.627 tors. eta vs tors. theta energy: -142.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1542.811283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.811283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.811283 (E_RNA) where: Base-Base interactions energy: -1060.325 where: short stacking energy: -436.420 Base-Backbone interact. energy: -2.088 local terms energy: -480.398007 where: bonds (distance) C4'-P energy: -95.612 bonds (distance) P-C4' energy: -106.678 flat angles C4'-P-C4' energy: -100.485 flat angles P-C4'-P energy: -91.807 tors. eta vs tors. theta energy: -85.817 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: 318 Temperature: 1.350000 Total energy: -1337.577761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.577761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.577761 (E_RNA) where: Base-Base interactions energy: -887.633 where: short stacking energy: -371.828 Base-Backbone interact. energy: 2.392 local terms energy: -452.336826 where: bonds (distance) C4'-P energy: -86.052 bonds (distance) P-C4' energy: -120.019 flat angles C4'-P-C4' energy: -103.557 flat angles P-C4'-P energy: -64.619 tors. eta vs tors. theta energy: -78.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2648.513935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.513935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.513935 (E_RNA) where: Base-Base interactions energy: -1883.133 where: short stacking energy: -782.006 Base-Backbone interact. energy: -1.166 local terms energy: -764.214581 where: bonds (distance) C4'-P energy: -126.104 bonds (distance) P-C4' energy: -128.857 flat angles C4'-P-C4' energy: -164.666 flat angles P-C4'-P energy: -110.722 tors. eta vs tors. theta energy: -233.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2595.376528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.376528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.376528 (E_RNA) where: Base-Base interactions energy: -1860.219 where: short stacking energy: -747.734 Base-Backbone interact. energy: -3.391 local terms energy: -731.766549 where: bonds (distance) C4'-P energy: -112.414 bonds (distance) P-C4' energy: -122.427 flat angles C4'-P-C4' energy: -155.679 flat angles P-C4'-P energy: -116.204 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: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2549.592316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.592316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.592316 (E_RNA) where: Base-Base interactions energy: -1816.736 where: short stacking energy: -742.687 Base-Backbone interact. energy: -0.874 local terms energy: -731.982533 where: bonds (distance) C4'-P energy: -121.868 bonds (distance) P-C4' energy: -122.313 flat angles C4'-P-C4' energy: -155.612 flat angles P-C4'-P energy: -112.798 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: 4, replica: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2361.206480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.206480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.206480 (E_RNA) where: Base-Base interactions energy: -1690.110 where: short stacking energy: -688.380 Base-Backbone interact. energy: 2.260 local terms energy: -673.356630 where: bonds (distance) C4'-P energy: -104.751 bonds (distance) P-C4' energy: -121.052 flat angles C4'-P-C4' energy: -148.426 flat angles P-C4'-P energy: -100.921 tors. eta vs tors. theta energy: -198.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2381.320521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.320521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.320521 (E_RNA) where: Base-Base interactions energy: -1700.330 where: short stacking energy: -711.239 Base-Backbone interact. energy: -1.873 local terms energy: -679.118273 where: bonds (distance) C4'-P energy: -111.167 bonds (distance) P-C4' energy: -104.812 flat angles C4'-P-C4' energy: -146.323 flat angles P-C4'-P energy: -92.464 tors. eta vs tors. theta energy: -224.353 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: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2186.730435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.730435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.730435 (E_RNA) where: Base-Base interactions energy: -1534.433 where: short stacking energy: -602.037 Base-Backbone interact. energy: 1.803 local terms energy: -654.100180 where: bonds (distance) C4'-P energy: -128.219 bonds (distance) P-C4' energy: -115.295 flat angles C4'-P-C4' energy: -130.013 flat angles P-C4'-P energy: -96.804 tors. eta vs tors. theta energy: -183.769 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: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2096.785798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.785798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.785798 (E_RNA) where: Base-Base interactions energy: -1500.663 where: short stacking energy: -588.718 Base-Backbone interact. energy: -2.343 local terms energy: -593.779449 where: bonds (distance) C4'-P energy: -93.576 bonds (distance) P-C4' energy: -120.419 flat angles C4'-P-C4' energy: -127.589 flat angles P-C4'-P energy: -85.948 tors. eta vs tors. theta energy: -166.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1958.625013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.625013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.625013 (E_RNA) where: Base-Base interactions energy: -1364.816 where: short stacking energy: -592.297 Base-Backbone interact. energy: -1.633 local terms energy: -592.176467 where: bonds (distance) C4'-P energy: -87.208 bonds (distance) P-C4' energy: -109.451 flat angles C4'-P-C4' energy: -138.502 flat angles P-C4'-P energy: -88.576 tors. eta vs tors. theta energy: -168.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1598.096764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.096764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.096764 (E_RNA) where: Base-Base interactions energy: -1108.899 where: short stacking energy: -473.930 Base-Backbone interact. energy: 0.697 local terms energy: -489.894736 where: bonds (distance) C4'-P energy: -100.439 bonds (distance) P-C4' energy: -108.189 flat angles C4'-P-C4' energy: -116.437 flat angles P-C4'-P energy: -60.787 tors. eta vs tors. theta energy: -104.043 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: 319 Temperature: 1.350000 Total energy: -1335.563407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.563407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.563407 (E_RNA) where: Base-Base interactions energy: -885.256 where: short stacking energy: -383.583 Base-Backbone interact. energy: 0.484 local terms energy: -450.791782 where: bonds (distance) C4'-P energy: -92.410 bonds (distance) P-C4' energy: -120.453 flat angles C4'-P-C4' energy: -103.955 flat angles P-C4'-P energy: -61.377 tors. eta vs tors. theta energy: -72.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2623.066385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.066385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.066385 (E_RNA) where: Base-Base interactions energy: -1849.733 where: short stacking energy: -761.819 Base-Backbone interact. energy: -0.469 local terms energy: -772.865308 where: bonds (distance) C4'-P energy: -136.987 bonds (distance) P-C4' energy: -120.272 flat angles C4'-P-C4' energy: -165.838 flat angles P-C4'-P energy: -106.779 tors. eta vs tors. theta energy: -242.989 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: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2616.540014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.540014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.540014 (E_RNA) where: Base-Base interactions energy: -1840.638 where: short stacking energy: -754.398 Base-Backbone interact. energy: -1.892 local terms energy: -774.009886 where: bonds (distance) C4'-P energy: -135.040 bonds (distance) P-C4' energy: -126.739 flat angles C4'-P-C4' energy: -165.164 flat angles P-C4'-P energy: -121.668 tors. eta vs tors. theta energy: -225.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2562.801956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.801956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.801956 (E_RNA) where: Base-Base interactions energy: -1825.889 where: short stacking energy: -743.629 Base-Backbone interact. energy: -1.915 local terms energy: -734.998305 where: bonds (distance) C4'-P energy: -122.043 bonds (distance) P-C4' energy: -121.332 flat angles C4'-P-C4' energy: -158.976 flat angles P-C4'-P energy: -104.799 tors. eta vs tors. theta energy: -227.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2412.850068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.850068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.850068 (E_RNA) where: Base-Base interactions energy: -1711.753 where: short stacking energy: -693.940 Base-Backbone interact. energy: -2.476 local terms energy: -698.620601 where: bonds (distance) C4'-P energy: -115.661 bonds (distance) P-C4' energy: -139.272 flat angles C4'-P-C4' energy: -142.762 flat angles P-C4'-P energy: -104.546 tors. eta vs tors. theta energy: -196.379 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: 1 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2409.433365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.433365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.433365 (E_RNA) where: Base-Base interactions energy: -1703.596 where: short stacking energy: -680.521 Base-Backbone interact. energy: -1.018 local terms energy: -704.819955 where: bonds (distance) C4'-P energy: -113.602 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -136.512 flat angles P-C4'-P energy: -103.731 tors. eta vs tors. theta energy: -219.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2217.941256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.941256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.941256 (E_RNA) where: Base-Base interactions energy: -1566.239 where: short stacking energy: -639.515 Base-Backbone interact. energy: -1.747 local terms energy: -649.955951 where: bonds (distance) C4'-P energy: -119.549 bonds (distance) P-C4' energy: -116.150 flat angles C4'-P-C4' energy: -128.272 flat angles P-C4'-P energy: -93.758 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: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2078.397872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.397872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.397872 (E_RNA) where: Base-Base interactions energy: -1446.527 where: short stacking energy: -601.533 Base-Backbone interact. energy: 0.706 local terms energy: -632.577318 where: bonds (distance) C4'-P energy: -110.129 bonds (distance) P-C4' energy: -121.598 flat angles C4'-P-C4' energy: -138.749 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -183.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1891.013381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.013381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.013381 (E_RNA) where: Base-Base interactions energy: -1324.213 where: short stacking energy: -549.564 Base-Backbone interact. energy: -0.602 local terms energy: -566.198964 where: bonds (distance) C4'-P energy: -115.140 bonds (distance) P-C4' energy: -99.790 flat angles C4'-P-C4' energy: -119.628 flat angles P-C4'-P energy: -76.438 tors. eta vs tors. theta energy: -155.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1559.460138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.460138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.460138 (E_RNA) where: Base-Base interactions energy: -1062.326 where: short stacking energy: -442.887 Base-Backbone interact. energy: -4.699 local terms energy: -492.435361 where: bonds (distance) C4'-P energy: -113.996 bonds (distance) P-C4' energy: -97.317 flat angles C4'-P-C4' energy: -121.299 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: -92.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1350.026275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.026275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.026275 (E_RNA) where: Base-Base interactions energy: -859.421 where: short stacking energy: -373.841 Base-Backbone interact. energy: -0.442 local terms energy: -490.163847 where: bonds (distance) C4'-P energy: -117.639 bonds (distance) P-C4' energy: -124.289 flat angles C4'-P-C4' energy: -110.781 flat angles P-C4'-P energy: -64.378 tors. eta vs tors. theta energy: -73.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2638.707168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.707168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.707168 (E_RNA) where: Base-Base interactions energy: -1858.315 where: short stacking energy: -784.950 Base-Backbone interact. energy: -0.012 local terms energy: -780.380138 where: bonds (distance) C4'-P energy: -129.688 bonds (distance) P-C4' energy: -136.714 flat angles C4'-P-C4' energy: -162.641 flat angles P-C4'-P energy: -106.104 tors. eta vs tors. theta energy: -245.233 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: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2590.950073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.950073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.950073 (E_RNA) where: Base-Base interactions energy: -1842.913 where: short stacking energy: -770.674 Base-Backbone interact. energy: -3.354 local terms energy: -744.683022 where: bonds (distance) C4'-P energy: -129.749 bonds (distance) P-C4' energy: -136.524 flat angles C4'-P-C4' energy: -146.644 flat angles P-C4'-P energy: -106.171 tors. eta vs tors. theta energy: -225.595 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: 321 Temperature: 1.000000 Total energy: -2573.387516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.387516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.387516 (E_RNA) where: Base-Base interactions energy: -1817.172 where: short stacking energy: -728.966 Base-Backbone interact. energy: -1.932 local terms energy: -754.282744 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -124.121 flat angles C4'-P-C4' energy: -156.144 flat angles P-C4'-P energy: -97.774 tors. eta vs tors. theta energy: -227.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2430.456984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.456984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.456984 (E_RNA) where: Base-Base interactions energy: -1746.549 where: short stacking energy: -703.687 Base-Backbone interact. energy: -1.564 local terms energy: -682.343763 where: bonds (distance) C4'-P energy: -107.739 bonds (distance) P-C4' energy: -120.918 flat angles C4'-P-C4' energy: -155.926 flat angles P-C4'-P energy: -93.728 tors. eta vs tors. theta energy: -204.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2352.472678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.472678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.472678 (E_RNA) where: Base-Base interactions energy: -1663.025 where: short stacking energy: -690.362 Base-Backbone interact. energy: -3.512 local terms energy: -685.935140 where: bonds (distance) C4'-P energy: -125.103 bonds (distance) P-C4' energy: -98.580 flat angles C4'-P-C4' energy: -158.006 flat angles P-C4'-P energy: -104.940 tors. eta vs tors. theta energy: -199.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2222.227968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.227968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.227968 (E_RNA) where: Base-Base interactions energy: -1563.574 where: short stacking energy: -649.050 Base-Backbone interact. energy: -2.065 local terms energy: -656.588609 where: bonds (distance) C4'-P energy: -113.942 bonds (distance) P-C4' energy: -125.745 flat angles C4'-P-C4' energy: -133.386 flat angles P-C4'-P energy: -100.246 tors. eta vs tors. theta energy: -183.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2066.140842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.140842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.140842 (E_RNA) where: Base-Base interactions energy: -1439.804 where: short stacking energy: -604.341 Base-Backbone interact. energy: -2.821 local terms energy: -623.515534 where: bonds (distance) C4'-P energy: -110.559 bonds (distance) P-C4' energy: -134.357 flat angles C4'-P-C4' energy: -137.587 flat angles P-C4'-P energy: -72.020 tors. eta vs tors. theta energy: -168.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1862.146921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.146921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.146921 (E_RNA) where: Base-Base interactions energy: -1299.519 where: short stacking energy: -558.707 Base-Backbone interact. energy: -3.476 local terms energy: -559.151957 where: bonds (distance) C4'-P energy: -108.660 bonds (distance) P-C4' energy: -104.500 flat angles C4'-P-C4' energy: -123.686 flat angles P-C4'-P energy: -77.539 tors. eta vs tors. theta energy: -144.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1538.307008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.307008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.307008 (E_RNA) where: Base-Base interactions energy: -1056.408 where: short stacking energy: -436.506 Base-Backbone interact. energy: 1.310 local terms energy: -483.209170 where: bonds (distance) C4'-P energy: -89.281 bonds (distance) P-C4' energy: -110.956 flat angles C4'-P-C4' energy: -108.539 flat angles P-C4'-P energy: -71.972 tors. eta vs tors. theta energy: -102.461 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: 321 Temperature: 1.350000 Total energy: -1368.699904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.699904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.699904 (E_RNA) where: Base-Base interactions energy: -945.789 where: short stacking energy: -398.813 Base-Backbone interact. energy: -1.318 local terms energy: -421.592222 where: bonds (distance) C4'-P energy: -88.106 bonds (distance) P-C4' energy: -94.695 flat angles C4'-P-C4' energy: -96.644 flat angles P-C4'-P energy: -59.996 tors. eta vs tors. theta energy: -82.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2640.762412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.762412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.762412 (E_RNA) where: Base-Base interactions energy: -1863.053 where: short stacking energy: -786.158 Base-Backbone interact. energy: -0.904 local terms energy: -776.804766 where: bonds (distance) C4'-P energy: -115.667 bonds (distance) P-C4' energy: -139.874 flat angles C4'-P-C4' energy: -169.026 flat angles P-C4'-P energy: -119.710 tors. eta vs tors. theta energy: -232.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2563.004429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.004429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.004429 (E_RNA) where: Base-Base interactions energy: -1831.983 where: short stacking energy: -750.131 Base-Backbone interact. energy: -0.557 local terms energy: -730.465297 where: bonds (distance) C4'-P energy: -121.539 bonds (distance) P-C4' energy: -129.407 flat angles C4'-P-C4' energy: -145.562 flat angles P-C4'-P energy: -111.001 tors. eta vs tors. theta energy: -222.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2580.522654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.522654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.522654 (E_RNA) where: Base-Base interactions energy: -1865.810 where: short stacking energy: -769.706 Base-Backbone interact. energy: 2.254 local terms energy: -716.966986 where: bonds (distance) C4'-P energy: -124.459 bonds (distance) P-C4' energy: -121.305 flat angles C4'-P-C4' energy: -141.820 flat angles P-C4'-P energy: -94.725 tors. eta vs tors. theta energy: -234.657 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: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2389.208267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.208267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.208267 (E_RNA) where: Base-Base interactions energy: -1709.123 where: short stacking energy: -696.390 Base-Backbone interact. energy: -5.217 local terms energy: -674.868626 where: bonds (distance) C4'-P energy: -111.387 bonds (distance) P-C4' energy: -98.544 flat angles C4'-P-C4' energy: -149.243 flat angles P-C4'-P energy: -105.459 tors. eta vs tors. theta energy: -210.235 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: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2369.740681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.740681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.740681 (E_RNA) where: Base-Base interactions energy: -1665.137 where: short stacking energy: -681.954 Base-Backbone interact. energy: 1.141 local terms energy: -705.744747 where: bonds (distance) C4'-P energy: -101.019 bonds (distance) P-C4' energy: -133.677 flat angles C4'-P-C4' energy: -149.815 flat angles P-C4'-P energy: -114.735 tors. eta vs tors. theta energy: -206.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2224.686246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.686246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.686246 (E_RNA) where: Base-Base interactions energy: -1565.423 where: short stacking energy: -636.851 Base-Backbone interact. energy: 5.149 local terms energy: -664.411703 where: bonds (distance) C4'-P energy: -116.076 bonds (distance) P-C4' energy: -103.155 flat angles C4'-P-C4' energy: -140.730 flat angles P-C4'-P energy: -111.927 tors. eta vs tors. theta energy: -192.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2116.483380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.483380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.483380 (E_RNA) where: Base-Base interactions energy: -1502.131 where: short stacking energy: -627.093 Base-Backbone interact. energy: -2.761 local terms energy: -611.591660 where: bonds (distance) C4'-P energy: -112.805 bonds (distance) P-C4' energy: -107.177 flat angles C4'-P-C4' energy: -119.374 flat angles P-C4'-P energy: -95.687 tors. eta vs tors. theta energy: -176.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1911.834138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.834138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.834138 (E_RNA) where: Base-Base interactions energy: -1327.668 where: short stacking energy: -544.599 Base-Backbone interact. energy: 1.048 local terms energy: -585.214181 where: bonds (distance) C4'-P energy: -113.829 bonds (distance) P-C4' energy: -114.764 flat angles C4'-P-C4' energy: -135.262 flat angles P-C4'-P energy: -79.672 tors. eta vs tors. theta energy: -141.686 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: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1562.979394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.979394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.979394 (E_RNA) where: Base-Base interactions energy: -1089.796 where: short stacking energy: -445.361 Base-Backbone interact. energy: 6.896 local terms energy: -480.079244 where: bonds (distance) C4'-P energy: -99.741 bonds (distance) P-C4' energy: -102.315 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -78.820 tors. eta vs tors. theta energy: -83.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1326.852217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.852217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.852217 (E_RNA) where: Base-Base interactions energy: -833.252 where: short stacking energy: -355.560 Base-Backbone interact. energy: 0.628 local terms energy: -494.228329 where: bonds (distance) C4'-P energy: -109.069 bonds (distance) P-C4' energy: -119.300 flat angles C4'-P-C4' energy: -119.316 flat angles P-C4'-P energy: -72.606 tors. eta vs tors. theta energy: -73.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2638.378898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.378898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.378898 (E_RNA) where: Base-Base interactions energy: -1862.315 where: short stacking energy: -773.934 Base-Backbone interact. energy: -2.014 local terms energy: -774.049981 where: bonds (distance) C4'-P energy: -138.866 bonds (distance) P-C4' energy: -137.852 flat angles C4'-P-C4' energy: -157.610 flat angles P-C4'-P energy: -109.533 tors. eta vs tors. theta energy: -230.189 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: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2589.478154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.478154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.478154 (E_RNA) where: Base-Base interactions energy: -1854.308 where: short stacking energy: -746.160 Base-Backbone interact. energy: -1.110 local terms energy: -734.059946 where: bonds (distance) C4'-P energy: -128.978 bonds (distance) P-C4' energy: -140.725 flat angles C4'-P-C4' energy: -139.971 flat angles P-C4'-P energy: -101.533 tors. eta vs tors. theta energy: -222.853 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: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2604.493748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.493748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.493748 (E_RNA) where: Base-Base interactions energy: -1840.245 where: short stacking energy: -730.664 Base-Backbone interact. energy: 1.049 local terms energy: -765.297252 where: bonds (distance) C4'-P energy: -122.172 bonds (distance) P-C4' energy: -140.324 flat angles C4'-P-C4' energy: -162.498 flat angles P-C4'-P energy: -111.326 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: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2396.813232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.813232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.813232 (E_RNA) where: Base-Base interactions energy: -1681.331 where: short stacking energy: -680.135 Base-Backbone interact. energy: 0.153 local terms energy: -715.635658 where: bonds (distance) C4'-P energy: -109.076 bonds (distance) P-C4' energy: -147.018 flat angles C4'-P-C4' energy: -146.533 flat angles P-C4'-P energy: -102.614 tors. eta vs tors. theta energy: -210.394 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: 323 Temperature: 1.100000 Total energy: -2345.346128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.346128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.346128 (E_RNA) where: Base-Base interactions energy: -1643.555 where: short stacking energy: -684.229 Base-Backbone interact. energy: 2.784 local terms energy: -704.574762 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -123.799 flat angles C4'-P-C4' energy: -147.478 flat angles P-C4'-P energy: -101.236 tors. eta vs tors. theta energy: -208.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2188.267936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.267936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.267936 (E_RNA) where: Base-Base interactions energy: -1544.706 where: short stacking energy: -628.748 Base-Backbone interact. energy: -1.647 local terms energy: -641.915068 where: bonds (distance) C4'-P energy: -100.965 bonds (distance) P-C4' energy: -126.463 flat angles C4'-P-C4' energy: -142.853 flat angles P-C4'-P energy: -92.198 tors. eta vs tors. theta energy: -179.437 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: 323 Temperature: 1.200000 Total energy: -2097.132871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.132871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.132871 (E_RNA) where: Base-Base interactions energy: -1470.959 where: short stacking energy: -612.384 Base-Backbone interact. energy: 3.185 local terms energy: -629.358351 where: bonds (distance) C4'-P energy: -99.922 bonds (distance) P-C4' energy: -129.292 flat angles C4'-P-C4' energy: -134.218 flat angles P-C4'-P energy: -90.198 tors. eta vs tors. theta energy: -175.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1863.258629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.258629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.258629 (E_RNA) where: Base-Base interactions energy: -1296.678 where: short stacking energy: -546.924 Base-Backbone interact. energy: 1.793 local terms energy: -568.373311 where: bonds (distance) C4'-P energy: -90.104 bonds (distance) P-C4' energy: -116.132 flat angles C4'-P-C4' energy: -125.169 flat angles P-C4'-P energy: -77.384 tors. eta vs tors. theta energy: -159.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1549.326055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.326055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.326055 (E_RNA) where: Base-Base interactions energy: -1061.933 where: short stacking energy: -454.636 Base-Backbone interact. energy: 0.873 local terms energy: -488.266099 where: bonds (distance) C4'-P energy: -87.263 bonds (distance) P-C4' energy: -126.581 flat angles C4'-P-C4' energy: -125.287 flat angles P-C4'-P energy: -58.031 tors. eta vs tors. theta energy: -91.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1369.622398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.622398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.622398 (E_RNA) where: Base-Base interactions energy: -929.084 where: short stacking energy: -392.935 Base-Backbone interact. energy: 1.855 local terms energy: -442.393429 where: bonds (distance) C4'-P energy: -109.741 bonds (distance) P-C4' energy: -103.784 flat angles C4'-P-C4' energy: -93.617 flat angles P-C4'-P energy: -56.550 tors. eta vs tors. theta energy: -78.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2683.288392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.288392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.288392 (E_RNA) where: Base-Base interactions energy: -1887.060 where: short stacking energy: -772.495 Base-Backbone interact. energy: -1.432 local terms energy: -794.796761 where: bonds (distance) C4'-P energy: -138.709 bonds (distance) P-C4' energy: -136.292 flat angles C4'-P-C4' energy: -163.025 flat angles P-C4'-P energy: -114.498 tors. eta vs tors. theta energy: -242.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2597.780329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.780329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.780329 (E_RNA) where: Base-Base interactions energy: -1844.582 where: short stacking energy: -746.049 Base-Backbone interact. energy: -2.805 local terms energy: -750.394033 where: bonds (distance) C4'-P energy: -126.208 bonds (distance) P-C4' energy: -138.644 flat angles C4'-P-C4' energy: -153.989 flat angles P-C4'-P energy: -100.104 tors. eta vs tors. theta energy: -231.449 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: 6 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2585.215223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.215223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.215223 (E_RNA) where: Base-Base interactions energy: -1841.211 where: short stacking energy: -710.189 Base-Backbone interact. energy: -1.177 local terms energy: -742.826745 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -156.949 flat angles P-C4'-P energy: -114.993 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: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2426.130349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.130349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.130349 (E_RNA) where: Base-Base interactions energy: -1696.461 where: short stacking energy: -715.355 Base-Backbone interact. energy: 1.322 local terms energy: -730.991300 where: bonds (distance) C4'-P energy: -124.081 bonds (distance) P-C4' energy: -127.261 flat angles C4'-P-C4' energy: -150.706 flat angles P-C4'-P energy: -110.107 tors. eta vs tors. theta energy: -218.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2286.978212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.978212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.978212 (E_RNA) where: Base-Base interactions energy: -1605.233 where: short stacking energy: -673.222 Base-Backbone interact. energy: -1.864 local terms energy: -679.880724 where: bonds (distance) C4'-P energy: -118.012 bonds (distance) P-C4' energy: -125.548 flat angles C4'-P-C4' energy: -140.396 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: -202.342 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: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2260.192752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.192752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.192752 (E_RNA) where: Base-Base interactions energy: -1617.625 where: short stacking energy: -636.888 Base-Backbone interact. energy: -2.332 local terms energy: -640.236079 where: bonds (distance) C4'-P energy: -99.785 bonds (distance) P-C4' energy: -125.370 flat angles C4'-P-C4' energy: -146.223 flat angles P-C4'-P energy: -82.516 tors. eta vs tors. theta energy: -186.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2096.841435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.841435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.841435 (E_RNA) where: Base-Base interactions energy: -1488.104 where: short stacking energy: -601.958 Base-Backbone interact. energy: -1.913 local terms energy: -606.823876 where: bonds (distance) C4'-P energy: -102.375 bonds (distance) P-C4' energy: -116.697 flat angles C4'-P-C4' energy: -124.150 flat angles P-C4'-P energy: -88.660 tors. eta vs tors. theta energy: -174.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1933.559637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.559637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.559637 (E_RNA) where: Base-Base interactions energy: -1358.320 where: short stacking energy: -554.396 Base-Backbone interact. energy: 0.881 local terms energy: -576.120013 where: bonds (distance) C4'-P energy: -100.416 bonds (distance) P-C4' energy: -112.896 flat angles C4'-P-C4' energy: -130.873 flat angles P-C4'-P energy: -84.499 tors. eta vs tors. theta energy: -147.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1607.817146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.817146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.817146 (E_RNA) where: Base-Base interactions energy: -1107.281 where: short stacking energy: -460.572 Base-Backbone interact. energy: 0.950 local terms energy: -501.486016 where: bonds (distance) C4'-P energy: -97.629 bonds (distance) P-C4' energy: -94.139 flat angles C4'-P-C4' energy: -121.993 flat angles P-C4'-P energy: -86.186 tors. eta vs tors. theta energy: -101.539 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: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1404.079183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.079183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.079183 (E_RNA) where: Base-Base interactions energy: -959.478 where: short stacking energy: -396.277 Base-Backbone interact. energy: -2.760 local terms energy: -441.841158 where: bonds (distance) C4'-P energy: -93.224 bonds (distance) P-C4' energy: -118.839 flat angles C4'-P-C4' energy: -102.593 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -77.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2647.139575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.139575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.139575 (E_RNA) where: Base-Base interactions energy: -1891.119 where: short stacking energy: -788.460 Base-Backbone interact. energy: 5.022 local terms energy: -761.042462 where: bonds (distance) C4'-P energy: -134.040 bonds (distance) P-C4' energy: -129.925 flat angles C4'-P-C4' energy: -156.152 flat angles P-C4'-P energy: -98.515 tors. eta vs tors. theta energy: -242.411 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: 2, replica: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2625.037172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.037172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.037172 (E_RNA) where: Base-Base interactions energy: -1877.225 where: short stacking energy: -758.191 Base-Backbone interact. energy: 0.345 local terms energy: -748.157882 where: bonds (distance) C4'-P energy: -126.787 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -161.424 flat angles P-C4'-P energy: -106.742 tors. eta vs tors. theta energy: -219.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2531.489981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.489981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.489981 (E_RNA) where: Base-Base interactions energy: -1814.518 where: short stacking energy: -730.347 Base-Backbone interact. energy: -2.103 local terms energy: -714.868951 where: bonds (distance) C4'-P energy: -119.243 bonds (distance) P-C4' energy: -122.969 flat angles C4'-P-C4' energy: -144.036 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -232.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2455.249308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.249308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.249308 (E_RNA) where: Base-Base interactions energy: -1749.009 where: short stacking energy: -722.032 Base-Backbone interact. energy: 1.028 local terms energy: -707.268379 where: bonds (distance) C4'-P energy: -120.837 bonds (distance) P-C4' energy: -113.895 flat angles C4'-P-C4' energy: -156.216 flat angles P-C4'-P energy: -95.094 tors. eta vs tors. theta energy: -221.226 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: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2258.884161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.884161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.884161 (E_RNA) where: Base-Base interactions energy: -1575.911 where: short stacking energy: -652.930 Base-Backbone interact. energy: -2.088 local terms energy: -680.885176 where: bonds (distance) C4'-P energy: -134.500 bonds (distance) P-C4' energy: -136.714 flat angles C4'-P-C4' energy: -129.564 flat angles P-C4'-P energy: -89.377 tors. eta vs tors. theta energy: -190.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2280.930816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.930816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.930816 (E_RNA) where: Base-Base interactions energy: -1617.083 where: short stacking energy: -653.059 Base-Backbone interact. energy: 3.662 local terms energy: -667.510397 where: bonds (distance) C4'-P energy: -104.721 bonds (distance) P-C4' energy: -139.620 flat angles C4'-P-C4' energy: -142.569 flat angles P-C4'-P energy: -99.461 tors. eta vs tors. theta energy: -181.139 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: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2114.152434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.152434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.152434 (E_RNA) where: Base-Base interactions energy: -1485.281 where: short stacking energy: -618.069 Base-Backbone interact. energy: 2.395 local terms energy: -631.266561 where: bonds (distance) C4'-P energy: -118.099 bonds (distance) P-C4' energy: -104.235 flat angles C4'-P-C4' energy: -129.948 flat angles P-C4'-P energy: -99.106 tors. eta vs tors. theta energy: -179.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1894.116478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.116478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.116478 (E_RNA) where: Base-Base interactions energy: -1313.328 where: short stacking energy: -542.482 Base-Backbone interact. energy: 7.108 local terms energy: -587.896472 where: bonds (distance) C4'-P energy: -89.618 bonds (distance) P-C4' energy: -120.172 flat angles C4'-P-C4' energy: -145.884 flat angles P-C4'-P energy: -84.555 tors. eta vs tors. theta energy: -147.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1579.128071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.128071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.128071 (E_RNA) where: Base-Base interactions energy: -1086.582 where: short stacking energy: -460.697 Base-Backbone interact. energy: -1.022 local terms energy: -491.524625 where: bonds (distance) C4'-P energy: -98.831 bonds (distance) P-C4' energy: -107.644 flat angles C4'-P-C4' energy: -114.600 flat angles P-C4'-P energy: -56.941 tors. eta vs tors. theta energy: -113.509 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: 325 Temperature: 1.350000 Total energy: -1336.413973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.413973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.413973 (E_RNA) where: Base-Base interactions energy: -894.690 where: short stacking energy: -370.841 Base-Backbone interact. energy: -3.630 local terms energy: -438.094369 where: bonds (distance) C4'-P energy: -104.914 bonds (distance) P-C4' energy: -102.666 flat angles C4'-P-C4' energy: -102.500 flat angles P-C4'-P energy: -70.150 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: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2647.535389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.535389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.535389 (E_RNA) where: Base-Base interactions energy: -1880.150 where: short stacking energy: -777.831 Base-Backbone interact. energy: -1.879 local terms energy: -765.506121 where: bonds (distance) C4'-P energy: -127.434 bonds (distance) P-C4' energy: -130.642 flat angles C4'-P-C4' energy: -159.052 flat angles P-C4'-P energy: -114.825 tors. eta vs tors. theta energy: -233.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2626.653008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.653008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.653008 (E_RNA) where: Base-Base interactions energy: -1864.122 where: short stacking energy: -752.448 Base-Backbone interact. energy: -0.476 local terms energy: -762.055348 where: bonds (distance) C4'-P energy: -119.554 bonds (distance) P-C4' energy: -137.706 flat angles C4'-P-C4' energy: -157.181 flat angles P-C4'-P energy: -113.437 tors. eta vs tors. theta energy: -234.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2513.733413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.733413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.733413 (E_RNA) where: Base-Base interactions energy: -1810.519 where: short stacking energy: -731.241 Base-Backbone interact. energy: -1.041 local terms energy: -702.173275 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -113.311 flat angles C4'-P-C4' energy: -146.678 flat angles P-C4'-P energy: -98.627 tors. eta vs tors. theta energy: -221.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2419.097767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.097767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.097767 (E_RNA) where: Base-Base interactions energy: -1714.086 where: short stacking energy: -720.490 Base-Backbone interact. energy: -1.659 local terms energy: -703.352952 where: bonds (distance) C4'-P energy: -115.767 bonds (distance) P-C4' energy: -122.671 flat angles C4'-P-C4' energy: -146.939 flat angles P-C4'-P energy: -95.060 tors. eta vs tors. theta energy: -222.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2285.995866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.995866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.995866 (E_RNA) where: Base-Base interactions energy: -1617.998 where: short stacking energy: -667.539 Base-Backbone interact. energy: -1.785 local terms energy: -666.212462 where: bonds (distance) C4'-P energy: -122.764 bonds (distance) P-C4' energy: -110.636 flat angles C4'-P-C4' energy: -146.428 flat angles P-C4'-P energy: -95.185 tors. eta vs tors. theta energy: -191.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2254.913849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.913849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.913849 (E_RNA) where: Base-Base interactions energy: -1602.345 where: short stacking energy: -655.625 Base-Backbone interact. energy: -2.454 local terms energy: -650.115137 where: bonds (distance) C4'-P energy: -108.669 bonds (distance) P-C4' energy: -109.968 flat angles C4'-P-C4' energy: -145.547 flat angles P-C4'-P energy: -98.769 tors. eta vs tors. theta energy: -187.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2086.610951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.610951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.610951 (E_RNA) where: Base-Base interactions energy: -1476.281 where: short stacking energy: -606.869 Base-Backbone interact. energy: 0.138 local terms energy: -610.468163 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -124.998 flat angles C4'-P-C4' energy: -125.913 flat angles P-C4'-P energy: -74.668 tors. eta vs tors. theta energy: -179.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1907.300374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.300374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.300374 (E_RNA) where: Base-Base interactions energy: -1332.399 where: short stacking energy: -553.295 Base-Backbone interact. energy: 2.804 local terms energy: -577.705548 where: bonds (distance) C4'-P energy: -124.343 bonds (distance) P-C4' energy: -109.461 flat angles C4'-P-C4' energy: -126.923 flat angles P-C4'-P energy: -64.184 tors. eta vs tors. theta energy: -152.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1560.465685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.465685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.465685 (E_RNA) where: Base-Base interactions energy: -1058.518 where: short stacking energy: -427.190 Base-Backbone interact. energy: 1.993 local terms energy: -503.940576 where: bonds (distance) C4'-P energy: -107.788 bonds (distance) P-C4' energy: -110.413 flat angles C4'-P-C4' energy: -116.469 flat angles P-C4'-P energy: -70.962 tors. eta vs tors. theta energy: -98.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1310.628467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.628467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.628467 (E_RNA) where: Base-Base interactions energy: -871.810 where: short stacking energy: -360.827 Base-Backbone interact. energy: -4.660 local terms energy: -434.157639 where: bonds (distance) C4'-P energy: -118.299 bonds (distance) P-C4' energy: -102.986 flat angles C4'-P-C4' energy: -106.631 flat angles P-C4'-P energy: -55.828 tors. eta vs tors. theta energy: -50.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2637.770730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.770730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.770730 (E_RNA) where: Base-Base interactions energy: -1868.499 where: short stacking energy: -786.228 Base-Backbone interact. energy: -0.522 local terms energy: -768.749722 where: bonds (distance) C4'-P energy: -133.014 bonds (distance) P-C4' energy: -120.889 flat angles C4'-P-C4' energy: -160.012 flat angles P-C4'-P energy: -115.887 tors. eta vs tors. theta energy: -238.948 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: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2611.424408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.424408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.424408 (E_RNA) where: Base-Base interactions energy: -1863.196 where: short stacking energy: -748.766 Base-Backbone interact. energy: 0.807 local terms energy: -749.035176 where: bonds (distance) C4'-P energy: -134.820 bonds (distance) P-C4' energy: -129.320 flat angles C4'-P-C4' energy: -165.691 flat angles P-C4'-P energy: -94.203 tors. eta vs tors. theta energy: -225.000 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: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2525.125999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.125999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.125999 (E_RNA) where: Base-Base interactions energy: -1807.522 where: short stacking energy: -738.897 Base-Backbone interact. energy: -0.920 local terms energy: -716.683492 where: bonds (distance) C4'-P energy: -108.279 bonds (distance) P-C4' energy: -121.857 flat angles C4'-P-C4' energy: -156.321 flat angles P-C4'-P energy: -102.287 tors. eta vs tors. theta energy: -227.939 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: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2381.044773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.044773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.044773 (E_RNA) where: Base-Base interactions energy: -1668.365 where: short stacking energy: -684.177 Base-Backbone interact. energy: -1.523 local terms energy: -711.156767 where: bonds (distance) C4'-P energy: -116.660 bonds (distance) P-C4' energy: -141.550 flat angles C4'-P-C4' energy: -148.955 flat angles P-C4'-P energy: -94.199 tors. eta vs tors. theta energy: -209.793 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: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2251.582995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.582995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.582995 (E_RNA) where: Base-Base interactions energy: -1566.153 where: short stacking energy: -629.555 Base-Backbone interact. energy: -1.249 local terms energy: -684.181054 where: bonds (distance) C4'-P energy: -117.819 bonds (distance) P-C4' energy: -136.894 flat angles C4'-P-C4' energy: -137.560 flat angles P-C4'-P energy: -99.971 tors. eta vs tors. theta energy: -191.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2290.207039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.207039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.207039 (E_RNA) where: Base-Base interactions energy: -1609.187 where: short stacking energy: -633.876 Base-Backbone interact. energy: -2.313 local terms energy: -678.706661 where: bonds (distance) C4'-P energy: -128.981 bonds (distance) P-C4' energy: -129.567 flat angles C4'-P-C4' energy: -143.026 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -180.854 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2020.947331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.947331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.947331 (E_RNA) where: Base-Base interactions energy: -1418.880 where: short stacking energy: -568.045 Base-Backbone interact. energy: -0.344 local terms energy: -601.722562 where: bonds (distance) C4'-P energy: -115.714 bonds (distance) P-C4' energy: -111.867 flat angles C4'-P-C4' energy: -123.451 flat angles P-C4'-P energy: -81.742 tors. eta vs tors. theta energy: -168.948 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: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1885.155166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.155166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.155166 (E_RNA) where: Base-Base interactions energy: -1333.667 where: short stacking energy: -561.264 Base-Backbone interact. energy: 1.124 local terms energy: -552.611842 where: bonds (distance) C4'-P energy: -82.646 bonds (distance) P-C4' energy: -109.610 flat angles C4'-P-C4' energy: -127.985 flat angles P-C4'-P energy: -68.140 tors. eta vs tors. theta energy: -164.230 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: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1582.804881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.804881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.804881 (E_RNA) where: Base-Base interactions energy: -1088.018 where: short stacking energy: -451.095 Base-Backbone interact. energy: -1.472 local terms energy: -493.315010 where: bonds (distance) C4'-P energy: -103.357 bonds (distance) P-C4' energy: -104.870 flat angles C4'-P-C4' energy: -110.376 flat angles P-C4'-P energy: -68.924 tors. eta vs tors. theta energy: -105.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1277.318077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.318077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.318077 (E_RNA) where: Base-Base interactions energy: -822.810 where: short stacking energy: -365.433 Base-Backbone interact. energy: 1.055 local terms energy: -455.562877 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -101.281 flat angles C4'-P-C4' energy: -114.741 flat angles P-C4'-P energy: -67.097 tors. eta vs tors. theta energy: -72.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2678.575727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.575727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.575727 (E_RNA) where: Base-Base interactions energy: -1863.089 where: short stacking energy: -775.966 Base-Backbone interact. energy: 0.227 local terms energy: -815.713606 where: bonds (distance) C4'-P energy: -148.628 bonds (distance) P-C4' energy: -140.136 flat angles C4'-P-C4' energy: -165.375 flat angles P-C4'-P energy: -121.542 tors. eta vs tors. theta energy: -240.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2608.711446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.711446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.711446 (E_RNA) where: Base-Base interactions energy: -1866.191 where: short stacking energy: -741.685 Base-Backbone interact. energy: 0.519 local terms energy: -743.039647 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -122.216 flat angles C4'-P-C4' energy: -161.751 flat angles P-C4'-P energy: -107.646 tors. eta vs tors. theta energy: -228.658 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: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2539.637482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.637482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.637482 (E_RNA) where: Base-Base interactions energy: -1789.042 where: short stacking energy: -738.451 Base-Backbone interact. energy: -5.852 local terms energy: -744.742775 where: bonds (distance) C4'-P energy: -120.448 bonds (distance) P-C4' energy: -146.045 flat angles C4'-P-C4' energy: -152.376 flat angles P-C4'-P energy: -95.431 tors. eta vs tors. theta energy: -230.444 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: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2407.902178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.902178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.902178 (E_RNA) where: Base-Base interactions energy: -1686.944 where: short stacking energy: -706.706 Base-Backbone interact. energy: -0.818 local terms energy: -720.139451 where: bonds (distance) C4'-P energy: -115.233 bonds (distance) P-C4' energy: -128.902 flat angles C4'-P-C4' energy: -148.399 flat angles P-C4'-P energy: -111.797 tors. eta vs tors. theta energy: -215.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2268.966772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.966772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.966772 (E_RNA) where: Base-Base interactions energy: -1604.033 where: short stacking energy: -645.291 Base-Backbone interact. energy: -3.419 local terms energy: -661.514838 where: bonds (distance) C4'-P energy: -117.730 bonds (distance) P-C4' energy: -111.361 flat angles C4'-P-C4' energy: -146.661 flat angles P-C4'-P energy: -93.740 tors. eta vs tors. theta energy: -192.023 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: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2183.693884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.693884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.693884 (E_RNA) where: Base-Base interactions energy: -1555.739 where: short stacking energy: -609.769 Base-Backbone interact. energy: -0.312 local terms energy: -627.643069 where: bonds (distance) C4'-P energy: -106.437 bonds (distance) P-C4' energy: -114.458 flat angles C4'-P-C4' energy: -137.144 flat angles P-C4'-P energy: -80.213 tors. eta vs tors. theta energy: -189.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2018.979030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.979030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.979030 (E_RNA) where: Base-Base interactions energy: -1398.615 where: short stacking energy: -593.968 Base-Backbone interact. energy: 3.518 local terms energy: -623.881817 where: bonds (distance) C4'-P energy: -122.446 bonds (distance) P-C4' energy: -114.247 flat angles C4'-P-C4' energy: -121.504 flat angles P-C4'-P energy: -88.554 tors. eta vs tors. theta energy: -177.131 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1901.560599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.560599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.560599 (E_RNA) where: Base-Base interactions energy: -1335.634 where: short stacking energy: -565.346 Base-Backbone interact. energy: -0.720 local terms energy: -565.206275 where: bonds (distance) C4'-P energy: -106.510 bonds (distance) P-C4' energy: -108.145 flat angles C4'-P-C4' energy: -117.049 flat angles P-C4'-P energy: -80.143 tors. eta vs tors. theta energy: -153.359 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: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1637.177148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.177148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.177148 (E_RNA) where: Base-Base interactions energy: -1124.192 where: short stacking energy: -474.729 Base-Backbone interact. energy: 2.391 local terms energy: -515.375622 where: bonds (distance) C4'-P energy: -111.803 bonds (distance) P-C4' energy: -105.499 flat angles C4'-P-C4' energy: -128.351 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: -109.943 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: 328 Temperature: 1.350000 Total energy: -1273.851042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.851042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.851042 (E_RNA) where: Base-Base interactions energy: -851.860 where: short stacking energy: -365.101 Base-Backbone interact. energy: 1.007 local terms energy: -422.997706 where: bonds (distance) C4'-P energy: -94.423 bonds (distance) P-C4' energy: -88.561 flat angles C4'-P-C4' energy: -110.652 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -62.091 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: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2644.414859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.414859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.414859 (E_RNA) where: Base-Base interactions energy: -1860.607 where: short stacking energy: -794.585 Base-Backbone interact. energy: -2.153 local terms energy: -781.654633 where: bonds (distance) C4'-P energy: -139.371 bonds (distance) P-C4' energy: -125.629 flat angles C4'-P-C4' energy: -157.707 flat angles P-C4'-P energy: -120.161 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: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2603.576520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.576520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.576520 (E_RNA) where: Base-Base interactions energy: -1842.024 where: short stacking energy: -760.288 Base-Backbone interact. energy: -0.204 local terms energy: -761.348321 where: bonds (distance) C4'-P energy: -140.642 bonds (distance) P-C4' energy: -134.422 flat angles C4'-P-C4' energy: -154.602 flat angles P-C4'-P energy: -105.215 tors. eta vs tors. theta energy: -226.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2539.901995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.901995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.901995 (E_RNA) where: Base-Base interactions energy: -1826.403 where: short stacking energy: -741.682 Base-Backbone interact. energy: -1.073 local terms energy: -712.426783 where: bonds (distance) C4'-P energy: -108.599 bonds (distance) P-C4' energy: -133.459 flat angles C4'-P-C4' energy: -155.943 flat angles P-C4'-P energy: -94.339 tors. eta vs tors. theta energy: -220.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2466.061797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.061797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.061797 (E_RNA) where: Base-Base interactions energy: -1754.325 where: short stacking energy: -712.069 Base-Backbone interact. energy: -1.148 local terms energy: -710.589027 where: bonds (distance) C4'-P energy: -119.767 bonds (distance) P-C4' energy: -129.581 flat angles C4'-P-C4' energy: -143.953 flat angles P-C4'-P energy: -93.380 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: 329 Temperature: 1.100000 Total energy: -2327.442539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.442539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.442539 (E_RNA) where: Base-Base interactions energy: -1633.392 where: short stacking energy: -663.083 Base-Backbone interact. energy: -0.062 local terms energy: -693.988110 where: bonds (distance) C4'-P energy: -121.881 bonds (distance) P-C4' energy: -127.439 flat angles C4'-P-C4' energy: -155.735 flat angles P-C4'-P energy: -89.280 tors. eta vs tors. theta energy: -199.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2205.500317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.500317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.500317 (E_RNA) where: Base-Base interactions energy: -1571.996 where: short stacking energy: -625.419 Base-Backbone interact. energy: 3.493 local terms energy: -636.997465 where: bonds (distance) C4'-P energy: -111.847 bonds (distance) P-C4' energy: -127.206 flat angles C4'-P-C4' energy: -141.181 flat angles P-C4'-P energy: -76.778 tors. eta vs tors. theta energy: -179.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2006.582156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.582156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.582156 (E_RNA) where: Base-Base interactions energy: -1397.432 where: short stacking energy: -569.587 Base-Backbone interact. energy: -3.580 local terms energy: -605.569576 where: bonds (distance) C4'-P energy: -97.515 bonds (distance) P-C4' energy: -97.476 flat angles C4'-P-C4' energy: -136.551 flat angles P-C4'-P energy: -99.973 tors. eta vs tors. theta energy: -174.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1881.176839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.176839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.176839 (E_RNA) where: Base-Base interactions energy: -1313.424 where: short stacking energy: -543.843 Base-Backbone interact. energy: 1.316 local terms energy: -569.069364 where: bonds (distance) C4'-P energy: -114.783 bonds (distance) P-C4' energy: -100.997 flat angles C4'-P-C4' energy: -120.497 flat angles P-C4'-P energy: -80.994 tors. eta vs tors. theta energy: -151.799 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: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1665.891932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.891932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.891932 (E_RNA) where: Base-Base interactions energy: -1149.118 where: short stacking energy: -444.689 Base-Backbone interact. energy: 1.711 local terms energy: -518.485224 where: bonds (distance) C4'-P energy: -110.932 bonds (distance) P-C4' energy: -123.129 flat angles C4'-P-C4' energy: -118.109 flat angles P-C4'-P energy: -71.050 tors. eta vs tors. theta energy: -95.265 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: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1267.512968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.512968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.512968 (E_RNA) where: Base-Base interactions energy: -818.714 where: short stacking energy: -355.980 Base-Backbone interact. energy: -2.753 local terms energy: -446.045812 where: bonds (distance) C4'-P energy: -94.253 bonds (distance) P-C4' energy: -107.209 flat angles C4'-P-C4' energy: -109.582 flat angles P-C4'-P energy: -61.152 tors. eta vs tors. theta energy: -73.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2655.990760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.990760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.990760 (E_RNA) where: Base-Base interactions energy: -1880.971 where: short stacking energy: -778.797 Base-Backbone interact. energy: -1.080 local terms energy: -773.939963 where: bonds (distance) C4'-P energy: -139.018 bonds (distance) P-C4' energy: -130.042 flat angles C4'-P-C4' energy: -163.297 flat angles P-C4'-P energy: -101.363 tors. eta vs tors. theta energy: -240.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2621.411552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.411552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.411552 (E_RNA) where: Base-Base interactions energy: -1852.584 where: short stacking energy: -757.500 Base-Backbone interact. energy: -1.012 local terms energy: -767.815085 where: bonds (distance) C4'-P energy: -127.387 bonds (distance) P-C4' energy: -131.452 flat angles C4'-P-C4' energy: -164.769 flat angles P-C4'-P energy: -110.013 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: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2552.724686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.724686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.724686 (E_RNA) where: Base-Base interactions energy: -1847.047 where: short stacking energy: -757.456 Base-Backbone interact. energy: 0.759 local terms energy: -706.436637 where: bonds (distance) C4'-P energy: -116.580 bonds (distance) P-C4' energy: -130.332 flat angles C4'-P-C4' energy: -143.295 flat angles P-C4'-P energy: -100.764 tors. eta vs tors. theta energy: -215.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2407.783401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.783401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.783401 (E_RNA) where: Base-Base interactions energy: -1733.730 where: short stacking energy: -708.245 Base-Backbone interact. energy: -1.533 local terms energy: -672.519764 where: bonds (distance) C4'-P energy: -112.026 bonds (distance) P-C4' energy: -107.221 flat angles C4'-P-C4' energy: -150.310 flat angles P-C4'-P energy: -92.525 tors. eta vs tors. theta energy: -210.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2300.866464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.866464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.866464 (E_RNA) where: Base-Base interactions energy: -1635.234 where: short stacking energy: -655.280 Base-Backbone interact. energy: 0.499 local terms energy: -666.131322 where: bonds (distance) C4'-P energy: -114.247 bonds (distance) P-C4' energy: -116.128 flat angles C4'-P-C4' energy: -138.189 flat angles P-C4'-P energy: -95.740 tors. eta vs tors. theta energy: -201.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2259.285509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.285509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.285509 (E_RNA) where: Base-Base interactions energy: -1624.075 where: short stacking energy: -646.065 Base-Backbone interact. energy: 2.502 local terms energy: -637.712785 where: bonds (distance) C4'-P energy: -134.581 bonds (distance) P-C4' energy: -106.415 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -77.223 tors. eta vs tors. theta energy: -180.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2066.812212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.812212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.812212 (E_RNA) where: Base-Base interactions energy: -1444.348 where: short stacking energy: -610.853 Base-Backbone interact. energy: -1.148 local terms energy: -621.315905 where: bonds (distance) C4'-P energy: -108.089 bonds (distance) P-C4' energy: -115.274 flat angles C4'-P-C4' energy: -141.846 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -174.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1909.444994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.444994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.444994 (E_RNA) where: Base-Base interactions energy: -1344.363 where: short stacking energy: -530.851 Base-Backbone interact. energy: -0.502 local terms energy: -564.580647 where: bonds (distance) C4'-P energy: -109.396 bonds (distance) P-C4' energy: -98.457 flat angles C4'-P-C4' energy: -125.690 flat angles P-C4'-P energy: -82.441 tors. eta vs tors. theta energy: -148.596 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: 5 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1646.533138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.533138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.533138 (E_RNA) where: Base-Base interactions energy: -1113.732 where: short stacking energy: -442.559 Base-Backbone interact. energy: -2.494 local terms energy: -530.307198 where: bonds (distance) C4'-P energy: -125.976 bonds (distance) P-C4' energy: -102.377 flat angles C4'-P-C4' energy: -115.172 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -116.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1241.205094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.205094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.205094 (E_RNA) where: Base-Base interactions energy: -799.906 where: short stacking energy: -354.315 Base-Backbone interact. energy: -1.342 local terms energy: -439.956934 where: bonds (distance) C4'-P energy: -94.610 bonds (distance) P-C4' energy: -108.717 flat angles C4'-P-C4' energy: -123.243 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -55.656 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: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2643.533706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.533706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.533706 (E_RNA) where: Base-Base interactions energy: -1849.971 where: short stacking energy: -784.822 Base-Backbone interact. energy: 0.489 local terms energy: -794.052019 where: bonds (distance) C4'-P energy: -134.143 bonds (distance) P-C4' energy: -131.139 flat angles C4'-P-C4' energy: -168.782 flat angles P-C4'-P energy: -119.957 tors. eta vs tors. theta energy: -240.031 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: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2598.847709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.847709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.847709 (E_RNA) where: Base-Base interactions energy: -1836.244 where: short stacking energy: -776.549 Base-Backbone interact. energy: -2.806 local terms energy: -759.797892 where: bonds (distance) C4'-P energy: -136.319 bonds (distance) P-C4' energy: -135.509 flat angles C4'-P-C4' energy: -147.508 flat angles P-C4'-P energy: -105.002 tors. eta vs tors. theta energy: -235.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2504.857415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.857415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.857415 (E_RNA) where: Base-Base interactions energy: -1811.320 where: short stacking energy: -746.911 Base-Backbone interact. energy: -3.084 local terms energy: -690.452980 where: bonds (distance) C4'-P energy: -121.530 bonds (distance) P-C4' energy: -118.735 flat angles C4'-P-C4' energy: -145.723 flat angles P-C4'-P energy: -97.113 tors. eta vs tors. theta energy: -207.353 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: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2405.118422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.118422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.118422 (E_RNA) where: Base-Base interactions energy: -1721.759 where: short stacking energy: -695.240 Base-Backbone interact. energy: -2.606 local terms energy: -680.753097 where: bonds (distance) C4'-P energy: -112.809 bonds (distance) P-C4' energy: -126.383 flat angles C4'-P-C4' energy: -143.951 flat angles P-C4'-P energy: -87.795 tors. eta vs tors. theta energy: -209.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2247.749963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.749963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.749963 (E_RNA) where: Base-Base interactions energy: -1597.293 where: short stacking energy: -642.055 Base-Backbone interact. energy: 3.253 local terms energy: -653.709688 where: bonds (distance) C4'-P energy: -103.939 bonds (distance) P-C4' energy: -120.767 flat angles C4'-P-C4' energy: -146.138 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -187.060 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: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2192.399522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.399522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.399522 (E_RNA) where: Base-Base interactions energy: -1553.183 where: short stacking energy: -628.086 Base-Backbone interact. energy: 2.122 local terms energy: -641.337979 where: bonds (distance) C4'-P energy: -115.892 bonds (distance) P-C4' energy: -118.609 flat angles C4'-P-C4' energy: -144.355 flat angles P-C4'-P energy: -81.897 tors. eta vs tors. theta energy: -180.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2085.975662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.975662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.975662 (E_RNA) where: Base-Base interactions energy: -1449.765 where: short stacking energy: -585.812 Base-Backbone interact. energy: -1.121 local terms energy: -635.089701 where: bonds (distance) C4'-P energy: -115.851 bonds (distance) P-C4' energy: -118.137 flat angles C4'-P-C4' energy: -138.555 flat angles P-C4'-P energy: -79.487 tors. eta vs tors. theta energy: -183.059 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: 331 Temperature: 1.250000 Total energy: -1918.320298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.320298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.320298 (E_RNA) where: Base-Base interactions energy: -1350.236 where: short stacking energy: -547.407 Base-Backbone interact. energy: -1.574 local terms energy: -566.511039 where: bonds (distance) C4'-P energy: -105.586 bonds (distance) P-C4' energy: -96.411 flat angles C4'-P-C4' energy: -116.433 flat angles P-C4'-P energy: -80.510 tors. eta vs tors. theta energy: -167.570 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: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1657.245933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.245933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.245933 (E_RNA) where: Base-Base interactions energy: -1110.003 where: short stacking energy: -462.041 Base-Backbone interact. energy: -2.493 local terms energy: -544.750058 where: bonds (distance) C4'-P energy: -128.455 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -121.707 flat angles P-C4'-P energy: -88.802 tors. eta vs tors. theta energy: -91.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1242.609249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.609249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.609249 (E_RNA) where: Base-Base interactions energy: -830.654 where: short stacking energy: -353.713 Base-Backbone interact. energy: -0.034 local terms energy: -411.921895 where: bonds (distance) C4'-P energy: -90.709 bonds (distance) P-C4' energy: -116.116 flat angles C4'-P-C4' energy: -94.178 flat angles P-C4'-P energy: -66.129 tors. eta vs tors. theta energy: -44.789 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: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2658.977160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.977160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.977160 (E_RNA) where: Base-Base interactions energy: -1872.863 where: short stacking energy: -778.427 Base-Backbone interact. energy: -1.158 local terms energy: -784.955596 where: bonds (distance) C4'-P energy: -131.359 bonds (distance) P-C4' energy: -135.993 flat angles C4'-P-C4' energy: -151.611 flat angles P-C4'-P energy: -116.668 tors. eta vs tors. theta energy: -249.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2611.910406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.910406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.910406 (E_RNA) where: Base-Base interactions energy: -1860.749 where: short stacking energy: -736.864 Base-Backbone interact. energy: -1.852 local terms energy: -749.309185 where: bonds (distance) C4'-P energy: -129.366 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -159.361 flat angles P-C4'-P energy: -107.731 tors. eta vs tors. theta energy: -221.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2532.392445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.392445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.392445 (E_RNA) where: Base-Base interactions energy: -1831.564 where: short stacking energy: -748.029 Base-Backbone interact. energy: -1.001 local terms energy: -699.827424 where: bonds (distance) C4'-P energy: -111.788 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -157.674 flat angles P-C4'-P energy: -92.080 tors. eta vs tors. theta energy: -212.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2461.667036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.667036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.667036 (E_RNA) where: Base-Base interactions energy: -1739.695 where: short stacking energy: -709.635 Base-Backbone interact. energy: -1.515 local terms energy: -720.457727 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -140.589 flat angles C4'-P-C4' energy: -138.745 flat angles P-C4'-P energy: -107.121 tors. eta vs tors. theta energy: -212.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2265.163494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.163494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.163494 (E_RNA) where: Base-Base interactions energy: -1605.541 where: short stacking energy: -674.394 Base-Backbone interact. energy: 3.201 local terms energy: -662.823858 where: bonds (distance) C4'-P energy: -125.223 bonds (distance) P-C4' energy: -104.527 flat angles C4'-P-C4' energy: -141.038 flat angles P-C4'-P energy: -102.720 tors. eta vs tors. theta energy: -189.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2196.096767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.096767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.096767 (E_RNA) where: Base-Base interactions energy: -1572.030 where: short stacking energy: -613.577 Base-Backbone interact. energy: -2.065 local terms energy: -622.000858 where: bonds (distance) C4'-P energy: -101.760 bonds (distance) P-C4' energy: -120.850 flat angles C4'-P-C4' energy: -131.756 flat angles P-C4'-P energy: -83.781 tors. eta vs tors. theta energy: -183.854 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: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2086.000476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.000476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.000476 (E_RNA) where: Base-Base interactions energy: -1450.976 where: short stacking energy: -598.541 Base-Backbone interact. energy: -0.309 local terms energy: -634.715649 where: bonds (distance) C4'-P energy: -116.910 bonds (distance) P-C4' energy: -114.717 flat angles C4'-P-C4' energy: -136.250 flat angles P-C4'-P energy: -86.296 tors. eta vs tors. theta energy: -180.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1968.657575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.657575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.657575 (E_RNA) where: Base-Base interactions energy: -1396.610 where: short stacking energy: -564.291 Base-Backbone interact. energy: -2.802 local terms energy: -569.246112 where: bonds (distance) C4'-P energy: -89.251 bonds (distance) P-C4' energy: -111.996 flat angles C4'-P-C4' energy: -131.808 flat angles P-C4'-P energy: -81.468 tors. eta vs tors. theta energy: -154.723 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: 5 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1602.182187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.182187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.182187 (E_RNA) where: Base-Base interactions energy: -1084.519 where: short stacking energy: -448.304 Base-Backbone interact. energy: 2.154 local terms energy: -519.817153 where: bonds (distance) C4'-P energy: -106.603 bonds (distance) P-C4' energy: -105.677 flat angles C4'-P-C4' energy: -116.211 flat angles P-C4'-P energy: -83.507 tors. eta vs tors. theta energy: -107.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1356.997556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.997556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.997556 (E_RNA) where: Base-Base interactions energy: -893.019 where: short stacking energy: -384.466 Base-Backbone interact. energy: -3.078 local terms energy: -460.900265 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -122.166 flat angles C4'-P-C4' energy: -119.867 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: -76.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2636.435026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.435026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.435026 (E_RNA) where: Base-Base interactions energy: -1860.686 where: short stacking energy: -777.986 Base-Backbone interact. energy: -1.491 local terms energy: -774.258355 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -130.385 flat angles C4'-P-C4' energy: -157.941 flat angles P-C4'-P energy: -106.968 tors. eta vs tors. theta energy: -237.065 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: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2612.190850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.190850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.190850 (E_RNA) where: Base-Base interactions energy: -1865.869 where: short stacking energy: -768.759 Base-Backbone interact. energy: -0.868 local terms energy: -745.453926 where: bonds (distance) C4'-P energy: -128.598 bonds (distance) P-C4' energy: -124.815 flat angles C4'-P-C4' energy: -154.112 flat angles P-C4'-P energy: -105.159 tors. eta vs tors. theta energy: -232.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2532.486019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.486019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.486019 (E_RNA) where: Base-Base interactions energy: -1800.342 where: short stacking energy: -737.416 Base-Backbone interact. energy: -4.731 local terms energy: -727.413277 where: bonds (distance) C4'-P energy: -120.774 bonds (distance) P-C4' energy: -126.833 flat angles C4'-P-C4' energy: -151.180 flat angles P-C4'-P energy: -108.085 tors. eta vs tors. theta energy: -220.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2436.924292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.924292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.924292 (E_RNA) where: Base-Base interactions energy: -1745.125 where: short stacking energy: -714.695 Base-Backbone interact. energy: 2.169 local terms energy: -693.969105 where: bonds (distance) C4'-P energy: -111.247 bonds (distance) P-C4' energy: -124.865 flat angles C4'-P-C4' energy: -149.588 flat angles P-C4'-P energy: -89.586 tors. eta vs tors. theta energy: -218.683 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: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2264.909019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.909019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.909019 (E_RNA) where: Base-Base interactions energy: -1608.386 where: short stacking energy: -650.632 Base-Backbone interact. energy: -1.492 local terms energy: -655.030354 where: bonds (distance) C4'-P energy: -120.645 bonds (distance) P-C4' energy: -119.126 flat angles C4'-P-C4' energy: -136.829 flat angles P-C4'-P energy: -89.078 tors. eta vs tors. theta energy: -189.352 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: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2184.866119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.866119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.866119 (E_RNA) where: Base-Base interactions energy: -1555.138 where: short stacking energy: -608.398 Base-Backbone interact. energy: 1.591 local terms energy: -631.318568 where: bonds (distance) C4'-P energy: -102.193 bonds (distance) P-C4' energy: -110.250 flat angles C4'-P-C4' energy: -143.269 flat angles P-C4'-P energy: -101.466 tors. eta vs tors. theta energy: -174.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2088.121928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.121928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.121928 (E_RNA) where: Base-Base interactions energy: -1469.616 where: short stacking energy: -599.401 Base-Backbone interact. energy: -1.466 local terms energy: -617.040697 where: bonds (distance) C4'-P energy: -107.660 bonds (distance) P-C4' energy: -121.600 flat angles C4'-P-C4' energy: -122.970 flat angles P-C4'-P energy: -98.592 tors. eta vs tors. theta energy: -166.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1920.993233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.993233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.993233 (E_RNA) where: Base-Base interactions energy: -1362.130 where: short stacking energy: -564.584 Base-Backbone interact. energy: 1.339 local terms energy: -560.202978 where: bonds (distance) C4'-P energy: -102.688 bonds (distance) P-C4' energy: -110.004 flat angles C4'-P-C4' energy: -127.722 flat angles P-C4'-P energy: -71.418 tors. eta vs tors. theta energy: -148.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1704.092898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.092898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.092898 (E_RNA) where: Base-Base interactions energy: -1192.776 where: short stacking energy: -484.900 Base-Backbone interact. energy: 1.143 local terms energy: -512.460035 where: bonds (distance) C4'-P energy: -94.907 bonds (distance) P-C4' energy: -103.454 flat angles C4'-P-C4' energy: -117.272 flat angles P-C4'-P energy: -86.135 tors. eta vs tors. theta energy: -110.692 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: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1310.748085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.748085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.748085 (E_RNA) where: Base-Base interactions energy: -860.231 where: short stacking energy: -347.636 Base-Backbone interact. energy: -2.080 local terms energy: -448.437717 where: bonds (distance) C4'-P energy: -108.932 bonds (distance) P-C4' energy: -97.691 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -77.732 tors. eta vs tors. theta energy: -59.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2645.699364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.699364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.699364 (E_RNA) where: Base-Base interactions energy: -1872.517 where: short stacking energy: -797.479 Base-Backbone interact. energy: -1.670 local terms energy: -771.512295 where: bonds (distance) C4'-P energy: -131.757 bonds (distance) P-C4' energy: -142.305 flat angles C4'-P-C4' energy: -152.070 flat angles P-C4'-P energy: -108.964 tors. eta vs tors. theta energy: -236.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2596.358450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.358450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.358450 (E_RNA) where: Base-Base interactions energy: -1846.900 where: short stacking energy: -743.991 Base-Backbone interact. energy: 0.475 local terms energy: -749.933900 where: bonds (distance) C4'-P energy: -127.207 bonds (distance) P-C4' energy: -138.957 flat angles C4'-P-C4' energy: -157.713 flat angles P-C4'-P energy: -101.891 tors. eta vs tors. theta energy: -224.167 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: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2513.508317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.508317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.508317 (E_RNA) where: Base-Base interactions energy: -1800.446 where: short stacking energy: -752.271 Base-Backbone interact. energy: -1.336 local terms energy: -711.726504 where: bonds (distance) C4'-P energy: -120.878 bonds (distance) P-C4' energy: -105.131 flat angles C4'-P-C4' energy: -153.091 flat angles P-C4'-P energy: -106.499 tors. eta vs tors. theta energy: -226.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2442.286404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.286404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.286404 (E_RNA) where: Base-Base interactions energy: -1749.225 where: short stacking energy: -725.037 Base-Backbone interact. energy: 1.516 local terms energy: -694.577176 where: bonds (distance) C4'-P energy: -110.892 bonds (distance) P-C4' energy: -120.659 flat angles C4'-P-C4' energy: -147.679 flat angles P-C4'-P energy: -92.182 tors. eta vs tors. theta energy: -223.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2266.586854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.586854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.586854 (E_RNA) where: Base-Base interactions energy: -1613.895 where: short stacking energy: -638.708 Base-Backbone interact. energy: 0.645 local terms energy: -653.335885 where: bonds (distance) C4'-P energy: -107.037 bonds (distance) P-C4' energy: -139.719 flat angles C4'-P-C4' energy: -126.003 flat angles P-C4'-P energy: -81.281 tors. eta vs tors. theta energy: -199.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2192.645300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.645300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.645300 (E_RNA) where: Base-Base interactions energy: -1533.856 where: short stacking energy: -605.269 Base-Backbone interact. energy: -3.788 local terms energy: -655.001147 where: bonds (distance) C4'-P energy: -122.353 bonds (distance) P-C4' energy: -121.216 flat angles C4'-P-C4' energy: -138.971 flat angles P-C4'-P energy: -90.564 tors. eta vs tors. theta energy: -181.898 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: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2120.570711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.570711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.570711 (E_RNA) where: Base-Base interactions energy: -1492.662 where: short stacking energy: -618.094 Base-Backbone interact. energy: 4.931 local terms energy: -632.839779 where: bonds (distance) C4'-P energy: -110.947 bonds (distance) P-C4' energy: -120.459 flat angles C4'-P-C4' energy: -137.535 flat angles P-C4'-P energy: -90.302 tors. eta vs tors. theta energy: -173.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1922.237480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.237480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.237480 (E_RNA) where: Base-Base interactions energy: -1336.398 where: short stacking energy: -546.267 Base-Backbone interact. energy: -1.225 local terms energy: -584.614344 where: bonds (distance) C4'-P energy: -95.578 bonds (distance) P-C4' energy: -121.533 flat angles C4'-P-C4' energy: -133.526 flat angles P-C4'-P energy: -70.870 tors. eta vs tors. theta energy: -163.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1814.256165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.256165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.256165 (E_RNA) where: Base-Base interactions energy: -1291.533 where: short stacking energy: -529.596 Base-Backbone interact. energy: 5.396 local terms energy: -528.119222 where: bonds (distance) C4'-P energy: -111.263 bonds (distance) P-C4' energy: -107.308 flat angles C4'-P-C4' energy: -121.313 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: -132.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1352.705365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.705365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.705365 (E_RNA) where: Base-Base interactions energy: -902.424 where: short stacking energy: -368.583 Base-Backbone interact. energy: 4.513 local terms energy: -454.794228 where: bonds (distance) C4'-P energy: -94.474 bonds (distance) P-C4' energy: -108.755 flat angles C4'-P-C4' energy: -117.518 flat angles P-C4'-P energy: -52.051 tors. eta vs tors. theta energy: -81.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2640.480516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.480516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.480516 (E_RNA) where: Base-Base interactions energy: -1859.994 where: short stacking energy: -767.955 Base-Backbone interact. energy: -4.010 local terms energy: -776.476031 where: bonds (distance) C4'-P energy: -139.643 bonds (distance) P-C4' energy: -122.733 flat angles C4'-P-C4' energy: -158.412 flat angles P-C4'-P energy: -117.135 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: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2611.692096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.692096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.692096 (E_RNA) where: Base-Base interactions energy: -1856.174 where: short stacking energy: -743.419 Base-Backbone interact. energy: -1.863 local terms energy: -753.654929 where: bonds (distance) C4'-P energy: -129.454 bonds (distance) P-C4' energy: -130.980 flat angles C4'-P-C4' energy: -160.201 flat angles P-C4'-P energy: -105.496 tors. eta vs tors. theta energy: -227.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2518.698925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.698925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.698925 (E_RNA) where: Base-Base interactions energy: -1800.486 where: short stacking energy: -748.904 Base-Backbone interact. energy: -0.104 local terms energy: -718.108878 where: bonds (distance) C4'-P energy: -113.694 bonds (distance) P-C4' energy: -119.125 flat angles C4'-P-C4' energy: -154.314 flat angles P-C4'-P energy: -101.265 tors. eta vs tors. theta energy: -229.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2431.420769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.420769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.420769 (E_RNA) where: Base-Base interactions energy: -1734.899 where: short stacking energy: -718.497 Base-Backbone interact. energy: -1.563 local terms energy: -694.959381 where: bonds (distance) C4'-P energy: -108.670 bonds (distance) P-C4' energy: -125.338 flat angles C4'-P-C4' energy: -148.831 flat angles P-C4'-P energy: -95.484 tors. eta vs tors. theta energy: -216.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2254.131711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.131711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.131711 (E_RNA) where: Base-Base interactions energy: -1631.885 where: short stacking energy: -663.023 Base-Backbone interact. energy: 10.960 local terms energy: -633.206476 where: bonds (distance) C4'-P energy: -98.735 bonds (distance) P-C4' energy: -121.218 flat angles C4'-P-C4' energy: -127.006 flat angles P-C4'-P energy: -93.460 tors. eta vs tors. theta energy: -192.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2195.887156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.887156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.887156 (E_RNA) where: Base-Base interactions energy: -1565.917 where: short stacking energy: -629.534 Base-Backbone interact. energy: 5.562 local terms energy: -635.531974 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -117.756 flat angles C4'-P-C4' energy: -139.518 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: -184.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2095.669425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.669425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.669425 (E_RNA) where: Base-Base interactions energy: -1464.080 where: short stacking energy: -605.259 Base-Backbone interact. energy: -2.004 local terms energy: -629.585706 where: bonds (distance) C4'-P energy: -117.232 bonds (distance) P-C4' energy: -104.068 flat angles C4'-P-C4' energy: -133.866 flat angles P-C4'-P energy: -89.957 tors. eta vs tors. theta energy: -184.462 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: 335 Temperature: 1.250000 Total energy: -1906.331431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.331431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.331431 (E_RNA) where: Base-Base interactions energy: -1344.923 where: short stacking energy: -549.549 Base-Backbone interact. energy: -1.137 local terms energy: -560.271268 where: bonds (distance) C4'-P energy: -91.312 bonds (distance) P-C4' energy: -113.370 flat angles C4'-P-C4' energy: -117.544 flat angles P-C4'-P energy: -84.285 tors. eta vs tors. theta energy: -153.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1829.994406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.994406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.994406 (E_RNA) where: Base-Base interactions energy: -1304.867 where: short stacking energy: -526.002 Base-Backbone interact. energy: 3.864 local terms energy: -528.991276 where: bonds (distance) C4'-P energy: -92.371 bonds (distance) P-C4' energy: -104.468 flat angles C4'-P-C4' energy: -125.692 flat angles P-C4'-P energy: -85.193 tors. eta vs tors. theta energy: -121.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1313.776333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.776333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.776333 (E_RNA) where: Base-Base interactions energy: -868.145 where: short stacking energy: -392.448 Base-Backbone interact. energy: 0.385 local terms energy: -446.016475 where: bonds (distance) C4'-P energy: -99.494 bonds (distance) P-C4' energy: -115.650 flat angles C4'-P-C4' energy: -94.438 flat angles P-C4'-P energy: -60.688 tors. eta vs tors. theta energy: -75.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2650.200768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.200768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.200768 (E_RNA) where: Base-Base interactions energy: -1871.434 where: short stacking energy: -799.245 Base-Backbone interact. energy: -2.418 local terms energy: -776.348906 where: bonds (distance) C4'-P energy: -125.461 bonds (distance) P-C4' energy: -147.903 flat angles C4'-P-C4' energy: -154.118 flat angles P-C4'-P energy: -113.149 tors. eta vs tors. theta energy: -235.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2606.201246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.201246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.201246 (E_RNA) where: Base-Base interactions energy: -1873.722 where: short stacking energy: -770.922 Base-Backbone interact. energy: -1.179 local terms energy: -731.300100 where: bonds (distance) C4'-P energy: -119.844 bonds (distance) P-C4' energy: -134.180 flat angles C4'-P-C4' energy: -153.515 flat angles P-C4'-P energy: -104.148 tors. eta vs tors. theta energy: -219.614 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: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2536.596112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.596112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.596112 (E_RNA) where: Base-Base interactions energy: -1814.672 where: short stacking energy: -761.991 Base-Backbone interact. energy: -0.163 local terms energy: -721.761201 where: bonds (distance) C4'-P energy: -117.091 bonds (distance) P-C4' energy: -130.285 flat angles C4'-P-C4' energy: -147.953 flat angles P-C4'-P energy: -99.083 tors. eta vs tors. theta energy: -227.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2414.271084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.271084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.271084 (E_RNA) where: Base-Base interactions energy: -1709.401 where: short stacking energy: -708.157 Base-Backbone interact. energy: -0.794 local terms energy: -704.076225 where: bonds (distance) C4'-P energy: -113.127 bonds (distance) P-C4' energy: -126.861 flat angles C4'-P-C4' energy: -154.484 flat angles P-C4'-P energy: -97.269 tors. eta vs tors. theta energy: -212.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2291.959197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.959197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.959197 (E_RNA) where: Base-Base interactions energy: -1622.343 where: short stacking energy: -652.521 Base-Backbone interact. energy: 0.752 local terms energy: -670.368026 where: bonds (distance) C4'-P energy: -107.207 bonds (distance) P-C4' energy: -127.409 flat angles C4'-P-C4' energy: -150.633 flat angles P-C4'-P energy: -87.516 tors. eta vs tors. theta energy: -197.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2247.959437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.959437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.959437 (E_RNA) where: Base-Base interactions energy: -1601.150 where: short stacking energy: -647.903 Base-Backbone interact. energy: -0.506 local terms energy: -646.303733 where: bonds (distance) C4'-P energy: -124.082 bonds (distance) P-C4' energy: -115.462 flat angles C4'-P-C4' energy: -136.055 flat angles P-C4'-P energy: -89.630 tors. eta vs tors. theta energy: -181.074 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: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2087.152720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.152720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.152720 (E_RNA) where: Base-Base interactions energy: -1489.597 where: short stacking energy: -633.458 Base-Backbone interact. energy: -0.517 local terms energy: -597.038921 where: bonds (distance) C4'-P energy: -102.400 bonds (distance) P-C4' energy: -91.064 flat angles C4'-P-C4' energy: -139.355 flat angles P-C4'-P energy: -86.114 tors. eta vs tors. theta energy: -178.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1892.274667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.274667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.274667 (E_RNA) where: Base-Base interactions energy: -1340.483 where: short stacking energy: -547.783 Base-Backbone interact. energy: -2.393 local terms energy: -549.399324 where: bonds (distance) C4'-P energy: -91.345 bonds (distance) P-C4' energy: -108.120 flat angles C4'-P-C4' energy: -131.102 flat angles P-C4'-P energy: -64.223 tors. eta vs tors. theta energy: -154.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1827.198200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.198200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.198200 (E_RNA) where: Base-Base interactions energy: -1276.695 where: short stacking energy: -507.528 Base-Backbone interact. energy: -1.785 local terms energy: -548.718359 where: bonds (distance) C4'-P energy: -97.879 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -110.141 flat angles P-C4'-P energy: -80.023 tors. eta vs tors. theta energy: -127.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1345.851583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.851583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.851583 (E_RNA) where: Base-Base interactions energy: -914.071 where: short stacking energy: -410.958 Base-Backbone interact. energy: 0.597 local terms energy: -432.377632 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -79.152 flat angles C4'-P-C4' energy: -111.312 flat angles P-C4'-P energy: -51.334 tors. eta vs tors. theta energy: -96.303 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: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2632.334801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.334801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.334801 (E_RNA) where: Base-Base interactions energy: -1875.480 where: short stacking energy: -808.184 Base-Backbone interact. energy: -0.414 local terms energy: -756.441595 where: bonds (distance) C4'-P energy: -127.536 bonds (distance) P-C4' energy: -142.732 flat angles C4'-P-C4' energy: -158.826 flat angles P-C4'-P energy: -89.476 tors. eta vs tors. theta energy: -237.871 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: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2612.572694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.572694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.572694 (E_RNA) where: Base-Base interactions energy: -1863.895 where: short stacking energy: -739.759 Base-Backbone interact. energy: -1.769 local terms energy: -746.909117 where: bonds (distance) C4'-P energy: -128.144 bonds (distance) P-C4' energy: -134.118 flat angles C4'-P-C4' energy: -156.827 flat angles P-C4'-P energy: -99.065 tors. eta vs tors. theta energy: -228.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2540.866454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.866454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.866454 (E_RNA) where: Base-Base interactions energy: -1811.486 where: short stacking energy: -741.809 Base-Backbone interact. energy: -2.608 local terms energy: -726.772383 where: bonds (distance) C4'-P energy: -123.202 bonds (distance) P-C4' energy: -130.898 flat angles C4'-P-C4' energy: -148.377 flat angles P-C4'-P energy: -104.721 tors. eta vs tors. theta energy: -219.575 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: 337 Temperature: 1.050000 Total energy: -2375.145064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.145064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.145064 (E_RNA) where: Base-Base interactions energy: -1705.078 where: short stacking energy: -696.528 Base-Backbone interact. energy: -2.326 local terms energy: -667.740688 where: bonds (distance) C4'-P energy: -104.265 bonds (distance) P-C4' energy: -122.068 flat angles C4'-P-C4' energy: -146.861 flat angles P-C4'-P energy: -93.069 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: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2261.960133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.960133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.960133 (E_RNA) where: Base-Base interactions energy: -1578.428 where: short stacking energy: -653.877 Base-Backbone interact. energy: -3.984 local terms energy: -679.548466 where: bonds (distance) C4'-P energy: -132.188 bonds (distance) P-C4' energy: -127.066 flat angles C4'-P-C4' energy: -141.875 flat angles P-C4'-P energy: -88.887 tors. eta vs tors. theta energy: -189.532 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: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2166.132816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.132816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.132816 (E_RNA) where: Base-Base interactions energy: -1531.922 where: short stacking energy: -611.787 Base-Backbone interact. energy: -2.649 local terms energy: -631.562192 where: bonds (distance) C4'-P energy: -120.405 bonds (distance) P-C4' energy: -113.990 flat angles C4'-P-C4' energy: -140.559 flat angles P-C4'-P energy: -85.717 tors. eta vs tors. theta energy: -170.892 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: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2060.257246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.257246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.257246 (E_RNA) where: Base-Base interactions energy: -1443.625 where: short stacking energy: -599.217 Base-Backbone interact. energy: -0.326 local terms energy: -616.306277 where: bonds (distance) C4'-P energy: -116.651 bonds (distance) P-C4' energy: -106.228 flat angles C4'-P-C4' energy: -130.363 flat angles P-C4'-P energy: -93.250 tors. eta vs tors. theta energy: -169.814 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: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1902.456584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.456584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.456584 (E_RNA) where: Base-Base interactions energy: -1323.247 where: short stacking energy: -546.465 Base-Backbone interact. energy: -0.238 local terms energy: -578.971041 where: bonds (distance) C4'-P energy: -111.101 bonds (distance) P-C4' energy: -106.091 flat angles C4'-P-C4' energy: -139.035 flat angles P-C4'-P energy: -81.384 tors. eta vs tors. theta energy: -141.359 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: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1823.598384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.598384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.598384 (E_RNA) where: Base-Base interactions energy: -1256.622 where: short stacking energy: -519.587 Base-Backbone interact. energy: -3.161 local terms energy: -563.815472 where: bonds (distance) C4'-P energy: -104.171 bonds (distance) P-C4' energy: -116.580 flat angles C4'-P-C4' energy: -117.849 flat angles P-C4'-P energy: -80.653 tors. eta vs tors. theta energy: -144.563 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: 337 Temperature: 1.350000 Total energy: -1311.689565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.689565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.689565 (E_RNA) where: Base-Base interactions energy: -850.681 where: short stacking energy: -377.336 Base-Backbone interact. energy: 1.770 local terms energy: -462.779245 where: bonds (distance) C4'-P energy: -93.979 bonds (distance) P-C4' energy: -110.650 flat angles C4'-P-C4' energy: -121.220 flat angles P-C4'-P energy: -67.821 tors. eta vs tors. theta energy: -69.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2701.595968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.595968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.595968 (E_RNA) where: Base-Base interactions energy: -1921.671 where: short stacking energy: -764.143 Base-Backbone interact. energy: 0.138 local terms energy: -780.062481 where: bonds (distance) C4'-P energy: -128.859 bonds (distance) P-C4' energy: -142.858 flat angles C4'-P-C4' energy: -171.648 flat angles P-C4'-P energy: -107.945 tors. eta vs tors. theta energy: -228.752 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: 338 Temperature: 0.950000 Total energy: -2622.736724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.736724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.736724 (E_RNA) where: Base-Base interactions energy: -1848.215 where: short stacking energy: -790.596 Base-Backbone interact. energy: -2.221 local terms energy: -772.301362 where: bonds (distance) C4'-P energy: -136.996 bonds (distance) P-C4' energy: -116.195 flat angles C4'-P-C4' energy: -159.400 flat angles P-C4'-P energy: -116.019 tors. eta vs tors. theta energy: -243.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2535.656235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.656235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.656235 (E_RNA) where: Base-Base interactions energy: -1822.194 where: short stacking energy: -728.119 Base-Backbone interact. energy: -2.365 local terms energy: -711.097074 where: bonds (distance) C4'-P energy: -128.255 bonds (distance) P-C4' energy: -120.864 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -101.472 tors. eta vs tors. theta energy: -215.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2393.826391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.826391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.826391 (E_RNA) where: Base-Base interactions energy: -1702.555 where: short stacking energy: -725.248 Base-Backbone interact. energy: -0.631 local terms energy: -690.639781 where: bonds (distance) C4'-P energy: -123.563 bonds (distance) P-C4' energy: -119.583 flat angles C4'-P-C4' energy: -135.612 flat angles P-C4'-P energy: -99.880 tors. eta vs tors. theta energy: -212.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2314.722030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.722030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.722030 (E_RNA) where: Base-Base interactions energy: -1654.058 where: short stacking energy: -658.694 Base-Backbone interact. energy: -1.521 local terms energy: -659.143419 where: bonds (distance) C4'-P energy: -114.086 bonds (distance) P-C4' energy: -115.277 flat angles C4'-P-C4' energy: -146.358 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -201.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2191.770160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.770160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.770160 (E_RNA) where: Base-Base interactions energy: -1547.951 where: short stacking energy: -636.795 Base-Backbone interact. energy: -0.173 local terms energy: -643.646244 where: bonds (distance) C4'-P energy: -100.399 bonds (distance) P-C4' energy: -116.245 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -100.940 tors. eta vs tors. theta energy: -184.905 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: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1957.844629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.844629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.844629 (E_RNA) where: Base-Base interactions energy: -1375.339 where: short stacking energy: -541.412 Base-Backbone interact. energy: -3.720 local terms energy: -578.786509 where: bonds (distance) C4'-P energy: -105.171 bonds (distance) P-C4' energy: -106.220 flat angles C4'-P-C4' energy: -131.244 flat angles P-C4'-P energy: -79.474 tors. eta vs tors. theta energy: -156.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -2069.662129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.662129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.662129 (E_RNA) where: Base-Base interactions energy: -1475.746 where: short stacking energy: -615.430 Base-Backbone interact. energy: -2.162 local terms energy: -591.754302 where: bonds (distance) C4'-P energy: -108.967 bonds (distance) P-C4' energy: -91.781 flat angles C4'-P-C4' energy: -124.944 flat angles P-C4'-P energy: -82.026 tors. eta vs tors. theta energy: -184.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1884.249032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.249032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.249032 (E_RNA) where: Base-Base interactions energy: -1302.755 where: short stacking energy: -535.278 Base-Backbone interact. energy: -2.017 local terms energy: -579.477547 where: bonds (distance) C4'-P energy: -115.250 bonds (distance) P-C4' energy: -123.971 flat angles C4'-P-C4' energy: -121.448 flat angles P-C4'-P energy: -70.077 tors. eta vs tors. theta energy: -148.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1216.046895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.046895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.046895 (E_RNA) where: Base-Base interactions energy: -784.367 where: short stacking energy: -337.870 Base-Backbone interact. energy: 5.512 local terms energy: -437.192015 where: bonds (distance) C4'-P energy: -86.041 bonds (distance) P-C4' energy: -112.338 flat angles C4'-P-C4' energy: -111.462 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -61.193 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: 1, replica: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2704.704025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.704025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.704025 (E_RNA) where: Base-Base interactions energy: -1925.573 where: short stacking energy: -784.176 Base-Backbone interact. energy: -0.963 local terms energy: -778.167351 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -131.706 flat angles C4'-P-C4' energy: -159.389 flat angles P-C4'-P energy: -114.772 tors. eta vs tors. theta energy: -235.481 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: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2576.750101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.750101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.750101 (E_RNA) where: Base-Base interactions energy: -1812.362 where: short stacking energy: -768.871 Base-Backbone interact. energy: -0.127 local terms energy: -764.261326 where: bonds (distance) C4'-P energy: -139.811 bonds (distance) P-C4' energy: -134.427 flat angles C4'-P-C4' energy: -148.165 flat angles P-C4'-P energy: -104.968 tors. eta vs tors. theta energy: -236.890 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: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2523.176983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.176983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.176983 (E_RNA) where: Base-Base interactions energy: -1782.721 where: short stacking energy: -722.032 Base-Backbone interact. energy: -2.001 local terms energy: -738.455493 where: bonds (distance) C4'-P energy: -133.846 bonds (distance) P-C4' energy: -111.804 flat angles C4'-P-C4' energy: -162.006 flat angles P-C4'-P energy: -106.298 tors. eta vs tors. theta energy: -224.502 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: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2427.619624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.619624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.619624 (E_RNA) where: Base-Base interactions energy: -1731.091 where: short stacking energy: -714.808 Base-Backbone interact. energy: -1.883 local terms energy: -694.645703 where: bonds (distance) C4'-P energy: -113.087 bonds (distance) P-C4' energy: -126.716 flat angles C4'-P-C4' energy: -147.731 flat angles P-C4'-P energy: -92.236 tors. eta vs tors. theta energy: -214.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2301.612145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.612145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.612145 (E_RNA) where: Base-Base interactions energy: -1658.533 where: short stacking energy: -658.304 Base-Backbone interact. energy: 0.258 local terms energy: -643.337624 where: bonds (distance) C4'-P energy: -109.905 bonds (distance) P-C4' energy: -125.007 flat angles C4'-P-C4' energy: -133.302 flat angles P-C4'-P energy: -82.745 tors. eta vs tors. theta energy: -192.379 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: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2186.778385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.778385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.778385 (E_RNA) where: Base-Base interactions energy: -1546.987 where: short stacking energy: -640.078 Base-Backbone interact. energy: 0.865 local terms energy: -640.656570 where: bonds (distance) C4'-P energy: -108.892 bonds (distance) P-C4' energy: -118.027 flat angles C4'-P-C4' energy: -136.535 flat angles P-C4'-P energy: -89.464 tors. eta vs tors. theta energy: -187.739 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: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2043.513588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.513588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.513588 (E_RNA) where: Base-Base interactions energy: -1425.369 where: short stacking energy: -578.964 Base-Backbone interact. energy: -1.990 local terms energy: -616.154285 where: bonds (distance) C4'-P energy: -116.100 bonds (distance) P-C4' energy: -117.941 flat angles C4'-P-C4' energy: -125.863 flat angles P-C4'-P energy: -93.795 tors. eta vs tors. theta energy: -162.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1936.129201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.129201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.129201 (E_RNA) where: Base-Base interactions energy: -1371.171 where: short stacking energy: -553.922 Base-Backbone interact. energy: 0.950 local terms energy: -565.908549 where: bonds (distance) C4'-P energy: -109.990 bonds (distance) P-C4' energy: -109.074 flat angles C4'-P-C4' energy: -127.283 flat angles P-C4'-P energy: -74.154 tors. eta vs tors. theta energy: -145.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1912.485246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.485246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.485246 (E_RNA) where: Base-Base interactions energy: -1319.254 where: short stacking energy: -547.452 Base-Backbone interact. energy: -2.424 local terms energy: -590.807246 where: bonds (distance) C4'-P energy: -107.879 bonds (distance) P-C4' energy: -111.863 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -83.108 tors. eta vs tors. theta energy: -158.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1211.648020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.648020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.648020 (E_RNA) where: Base-Base interactions energy: -735.525 where: short stacking energy: -321.001 Base-Backbone interact. energy: -2.596 local terms energy: -473.527069 where: bonds (distance) C4'-P energy: -115.212 bonds (distance) P-C4' energy: -122.173 flat angles C4'-P-C4' energy: -126.443 flat angles P-C4'-P energy: -68.555 tors. eta vs tors. theta energy: -41.144 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: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2685.614319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.614319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.614319 (E_RNA) where: Base-Base interactions energy: -1935.528 where: short stacking energy: -758.893 Base-Backbone interact. energy: -1.663 local terms energy: -748.423908 where: bonds (distance) C4'-P energy: -119.357 bonds (distance) P-C4' energy: -141.707 flat angles C4'-P-C4' energy: -151.541 flat angles P-C4'-P energy: -105.531 tors. eta vs tors. theta energy: -230.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2583.412743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.412743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.412743 (E_RNA) where: Base-Base interactions energy: -1809.569 where: short stacking energy: -748.609 Base-Backbone interact. energy: -2.459 local terms energy: -771.384839 where: bonds (distance) C4'-P energy: -140.806 bonds (distance) P-C4' energy: -135.896 flat angles C4'-P-C4' energy: -158.243 flat angles P-C4'-P energy: -97.312 tors. eta vs tors. theta energy: -239.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2555.450524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.450524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.450524 (E_RNA) where: Base-Base interactions energy: -1815.591 where: short stacking energy: -739.555 Base-Backbone interact. energy: -1.279 local terms energy: -738.580996 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -132.986 flat angles C4'-P-C4' energy: -158.139 flat angles P-C4'-P energy: -105.485 tors. eta vs tors. theta energy: -214.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2412.881812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.881812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.881812 (E_RNA) where: Base-Base interactions energy: -1713.635 where: short stacking energy: -694.953 Base-Backbone interact. energy: 0.327 local terms energy: -699.573839 where: bonds (distance) C4'-P energy: -127.336 bonds (distance) P-C4' energy: -115.032 flat angles C4'-P-C4' energy: -147.013 flat angles P-C4'-P energy: -97.494 tors. eta vs tors. theta energy: -212.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2268.804189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.804189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.804189 (E_RNA) where: Base-Base interactions energy: -1625.585 where: short stacking energy: -652.666 Base-Backbone interact. energy: 1.154 local terms energy: -644.373334 where: bonds (distance) C4'-P energy: -105.625 bonds (distance) P-C4' energy: -120.685 flat angles C4'-P-C4' energy: -127.218 flat angles P-C4'-P energy: -93.588 tors. eta vs tors. theta energy: -197.257 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: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2191.007785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.007785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.007785 (E_RNA) where: Base-Base interactions energy: -1535.630 where: short stacking energy: -612.971 Base-Backbone interact. energy: 0.173 local terms energy: -655.551451 where: bonds (distance) C4'-P energy: -130.420 bonds (distance) P-C4' energy: -115.011 flat angles C4'-P-C4' energy: -143.111 flat angles P-C4'-P energy: -86.693 tors. eta vs tors. theta energy: -180.317 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: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2016.108215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.108215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.108215 (E_RNA) where: Base-Base interactions energy: -1436.711 where: short stacking energy: -596.019 Base-Backbone interact. energy: -2.154 local terms energy: -577.243102 where: bonds (distance) C4'-P energy: -93.305 bonds (distance) P-C4' energy: -95.313 flat angles C4'-P-C4' energy: -135.749 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: -171.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1967.510321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.510321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.510321 (E_RNA) where: Base-Base interactions energy: -1354.874 where: short stacking energy: -565.949 Base-Backbone interact. energy: -1.787 local terms energy: -610.848810 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -110.292 flat angles C4'-P-C4' energy: -128.675 flat angles P-C4'-P energy: -86.938 tors. eta vs tors. theta energy: -160.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1866.269262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.269262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.269262 (E_RNA) where: Base-Base interactions energy: -1288.314 where: short stacking energy: -529.855 Base-Backbone interact. energy: -1.189 local terms energy: -576.766941 where: bonds (distance) C4'-P energy: -114.445 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -123.670 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -154.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1160.426163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.426163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.426163 (E_RNA) where: Base-Base interactions energy: -733.548 where: short stacking energy: -322.438 Base-Backbone interact. energy: 0.241 local terms energy: -427.119528 where: bonds (distance) C4'-P energy: -99.461 bonds (distance) P-C4' energy: -102.724 flat angles C4'-P-C4' energy: -107.222 flat angles P-C4'-P energy: -63.165 tors. eta vs tors. theta energy: -54.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2714.979867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.979867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.979867 (E_RNA) where: Base-Base interactions energy: -1938.257 where: short stacking energy: -789.048 Base-Backbone interact. energy: -2.862 local terms energy: -773.860749 where: bonds (distance) C4'-P energy: -130.813 bonds (distance) P-C4' energy: -136.019 flat angles C4'-P-C4' energy: -162.228 flat angles P-C4'-P energy: -112.883 tors. eta vs tors. theta energy: -231.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2575.074995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.074995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.074995 (E_RNA) where: Base-Base interactions energy: -1811.884 where: short stacking energy: -748.705 Base-Backbone interact. energy: -1.134 local terms energy: -762.057066 where: bonds (distance) C4'-P energy: -129.858 bonds (distance) P-C4' energy: -133.381 flat angles C4'-P-C4' energy: -165.476 flat angles P-C4'-P energy: -99.989 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: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2515.945742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.945742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.945742 (E_RNA) where: Base-Base interactions energy: -1829.418 where: short stacking energy: -717.906 Base-Backbone interact. energy: 1.602 local terms energy: -688.129525 where: bonds (distance) C4'-P energy: -127.086 bonds (distance) P-C4' energy: -114.599 flat angles C4'-P-C4' energy: -146.650 flat angles P-C4'-P energy: -91.863 tors. eta vs tors. theta energy: -207.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2434.221155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.221155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.221155 (E_RNA) where: Base-Base interactions energy: -1723.933 where: short stacking energy: -727.948 Base-Backbone interact. energy: 0.289 local terms energy: -710.577514 where: bonds (distance) C4'-P energy: -122.586 bonds (distance) P-C4' energy: -113.926 flat angles C4'-P-C4' energy: -157.321 flat angles P-C4'-P energy: -99.387 tors. eta vs tors. theta energy: -217.356 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: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2261.939604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.939604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.939604 (E_RNA) where: Base-Base interactions energy: -1587.235 where: short stacking energy: -637.137 Base-Backbone interact. energy: 1.285 local terms energy: -675.989807 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -129.541 flat angles C4'-P-C4' energy: -149.830 flat angles P-C4'-P energy: -84.418 tors. eta vs tors. theta energy: -196.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2174.413499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.413499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.413499 (E_RNA) where: Base-Base interactions energy: -1538.035 where: short stacking energy: -629.892 Base-Backbone interact. energy: -2.904 local terms energy: -633.474583 where: bonds (distance) C4'-P energy: -99.666 bonds (distance) P-C4' energy: -109.045 flat angles C4'-P-C4' energy: -142.654 flat angles P-C4'-P energy: -95.046 tors. eta vs tors. theta energy: -187.064 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: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1978.419700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.419700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.419700 (E_RNA) where: Base-Base interactions energy: -1389.283 where: short stacking energy: -563.753 Base-Backbone interact. energy: 2.997 local terms energy: -592.133609 where: bonds (distance) C4'-P energy: -96.777 bonds (distance) P-C4' energy: -127.484 flat angles C4'-P-C4' energy: -131.576 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -159.130 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: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1931.022230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.022230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.022230 (E_RNA) where: Base-Base interactions energy: -1368.396 where: short stacking energy: -574.205 Base-Backbone interact. energy: 0.791 local terms energy: -563.417018 where: bonds (distance) C4'-P energy: -101.221 bonds (distance) P-C4' energy: -111.149 flat angles C4'-P-C4' energy: -120.959 flat angles P-C4'-P energy: -83.630 tors. eta vs tors. theta energy: -146.458 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: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1897.553924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.553924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.553924 (E_RNA) where: Base-Base interactions energy: -1342.886 where: short stacking energy: -551.837 Base-Backbone interact. energy: -0.745 local terms energy: -553.922850 where: bonds (distance) C4'-P energy: -105.542 bonds (distance) P-C4' energy: -84.509 flat angles C4'-P-C4' energy: -127.143 flat angles P-C4'-P energy: -79.012 tors. eta vs tors. theta energy: -157.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1179.539055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.539055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.539055 (E_RNA) where: Base-Base interactions energy: -770.250 where: short stacking energy: -349.168 Base-Backbone interact. energy: 1.037 local terms energy: -410.326950 where: bonds (distance) C4'-P energy: -102.446 bonds (distance) P-C4' energy: -102.309 flat angles C4'-P-C4' energy: -92.313 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: -48.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2686.625172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.625172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.625172 (E_RNA) where: Base-Base interactions energy: -1909.050 where: short stacking energy: -792.612 Base-Backbone interact. energy: 0.999 local terms energy: -778.573538 where: bonds (distance) C4'-P energy: -132.405 bonds (distance) P-C4' energy: -137.289 flat angles C4'-P-C4' energy: -159.956 flat angles P-C4'-P energy: -110.238 tors. eta vs tors. theta energy: -238.685 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: 342 Temperature: 0.950000 Total energy: -2578.707401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.707401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.707401 (E_RNA) where: Base-Base interactions energy: -1827.306 where: short stacking energy: -754.810 Base-Backbone interact. energy: -1.329 local terms energy: -750.072643 where: bonds (distance) C4'-P energy: -129.522 bonds (distance) P-C4' energy: -137.201 flat angles C4'-P-C4' energy: -146.860 flat angles P-C4'-P energy: -109.355 tors. eta vs tors. theta energy: -227.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2508.473407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.473407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.473407 (E_RNA) where: Base-Base interactions energy: -1789.694 where: short stacking energy: -729.411 Base-Backbone interact. energy: 0.927 local terms energy: -719.706559 where: bonds (distance) C4'-P energy: -118.539 bonds (distance) P-C4' energy: -122.449 flat angles C4'-P-C4' energy: -153.274 flat angles P-C4'-P energy: -107.699 tors. eta vs tors. theta energy: -217.745 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: 342 Temperature: 1.050000 Total energy: -2413.482743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.482743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.482743 (E_RNA) where: Base-Base interactions energy: -1718.413 where: short stacking energy: -692.553 Base-Backbone interact. energy: -2.624 local terms energy: -692.446559 where: bonds (distance) C4'-P energy: -115.557 bonds (distance) P-C4' energy: -121.150 flat angles C4'-P-C4' energy: -149.746 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -201.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2256.159628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.159628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.159628 (E_RNA) where: Base-Base interactions energy: -1603.199 where: short stacking energy: -637.929 Base-Backbone interact. energy: -2.651 local terms energy: -650.309684 where: bonds (distance) C4'-P energy: -121.600 bonds (distance) P-C4' energy: -110.253 flat angles C4'-P-C4' energy: -137.477 flat angles P-C4'-P energy: -93.832 tors. eta vs tors. theta energy: -187.148 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: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2201.175561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.175561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.175561 (E_RNA) where: Base-Base interactions energy: -1561.818 where: short stacking energy: -635.317 Base-Backbone interact. energy: -3.764 local terms energy: -635.593157 where: bonds (distance) C4'-P energy: -105.142 bonds (distance) P-C4' energy: -106.031 flat angles C4'-P-C4' energy: -139.384 flat angles P-C4'-P energy: -95.598 tors. eta vs tors. theta energy: -189.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2046.489530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.489530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.489530 (E_RNA) where: Base-Base interactions energy: -1425.687 where: short stacking energy: -614.962 Base-Backbone interact. energy: 2.000 local terms energy: -622.801889 where: bonds (distance) C4'-P energy: -115.277 bonds (distance) P-C4' energy: -116.369 flat angles C4'-P-C4' energy: -138.020 flat angles P-C4'-P energy: -93.151 tors. eta vs tors. theta energy: -159.986 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: 342 Temperature: 1.250000 Total energy: -1943.777353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.777353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.777353 (E_RNA) where: Base-Base interactions energy: -1369.256 where: short stacking energy: -554.683 Base-Backbone interact. energy: -1.273 local terms energy: -573.248460 where: bonds (distance) C4'-P energy: -101.922 bonds (distance) P-C4' energy: -97.070 flat angles C4'-P-C4' energy: -125.558 flat angles P-C4'-P energy: -83.616 tors. eta vs tors. theta energy: -165.084 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: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1875.552707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.552707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.552707 (E_RNA) where: Base-Base interactions energy: -1301.946 where: short stacking energy: -527.467 Base-Backbone interact. energy: 0.074 local terms energy: -573.681103 where: bonds (distance) C4'-P energy: -107.677 bonds (distance) P-C4' energy: -105.427 flat angles C4'-P-C4' energy: -137.849 flat angles P-C4'-P energy: -89.680 tors. eta vs tors. theta energy: -133.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1112.282824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.282824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.282824 (E_RNA) where: Base-Base interactions energy: -709.017 where: short stacking energy: -307.392 Base-Backbone interact. energy: 0.306 local terms energy: -403.571861 where: bonds (distance) C4'-P energy: -108.486 bonds (distance) P-C4' energy: -104.921 flat angles C4'-P-C4' energy: -104.583 flat angles P-C4'-P energy: -57.079 tors. eta vs tors. theta energy: -28.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2711.432154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.432154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.432154 (E_RNA) where: Base-Base interactions energy: -1947.260 where: short stacking energy: -771.318 Base-Backbone interact. energy: -1.443 local terms energy: -762.729174 where: bonds (distance) C4'-P energy: -137.329 bonds (distance) P-C4' energy: -130.651 flat angles C4'-P-C4' energy: -156.631 flat angles P-C4'-P energy: -110.921 tors. eta vs tors. theta energy: -227.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2596.787905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.787905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.787905 (E_RNA) where: Base-Base interactions energy: -1825.406 where: short stacking energy: -758.036 Base-Backbone interact. energy: -2.564 local terms energy: -768.817267 where: bonds (distance) C4'-P energy: -126.829 bonds (distance) P-C4' energy: -128.816 flat angles C4'-P-C4' energy: -160.451 flat angles P-C4'-P energy: -105.475 tors. eta vs tors. theta energy: -247.246 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: 343 Temperature: 1.000000 Total energy: -2488.790749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.790749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.790749 (E_RNA) where: Base-Base interactions energy: -1768.255 where: short stacking energy: -735.667 Base-Backbone interact. energy: 1.006 local terms energy: -721.541974 where: bonds (distance) C4'-P energy: -121.095 bonds (distance) P-C4' energy: -132.204 flat angles C4'-P-C4' energy: -156.429 flat angles P-C4'-P energy: -98.789 tors. eta vs tors. theta energy: -213.025 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: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2405.977339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.977339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.977339 (E_RNA) where: Base-Base interactions energy: -1714.349 where: short stacking energy: -732.544 Base-Backbone interact. energy: 0.557 local terms energy: -692.185410 where: bonds (distance) C4'-P energy: -108.410 bonds (distance) P-C4' energy: -125.068 flat angles C4'-P-C4' energy: -145.134 flat angles P-C4'-P energy: -96.455 tors. eta vs tors. theta energy: -217.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2271.118343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.118343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.118343 (E_RNA) where: Base-Base interactions energy: -1616.472 where: short stacking energy: -650.798 Base-Backbone interact. energy: 0.720 local terms energy: -655.366482 where: bonds (distance) C4'-P energy: -130.399 bonds (distance) P-C4' energy: -104.194 flat angles C4'-P-C4' energy: -138.573 flat angles P-C4'-P energy: -92.664 tors. eta vs tors. theta energy: -189.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2234.889103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.889103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.889103 (E_RNA) where: Base-Base interactions energy: -1613.208 where: short stacking energy: -654.874 Base-Backbone interact. energy: 2.086 local terms energy: -623.766776 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -130.303 flat angles P-C4'-P energy: -90.316 tors. eta vs tors. theta energy: -189.960 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: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2069.054276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.054276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.054276 (E_RNA) where: Base-Base interactions energy: -1455.153 where: short stacking energy: -599.174 Base-Backbone interact. energy: -1.466 local terms energy: -612.434553 where: bonds (distance) C4'-P energy: -122.707 bonds (distance) P-C4' energy: -100.177 flat angles C4'-P-C4' energy: -136.839 flat angles P-C4'-P energy: -81.945 tors. eta vs tors. theta energy: -170.766 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: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1971.928222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.928222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.928222 (E_RNA) where: Base-Base interactions energy: -1356.976 where: short stacking energy: -575.296 Base-Backbone interact. energy: -1.695 local terms energy: -613.257893 where: bonds (distance) C4'-P energy: -91.966 bonds (distance) P-C4' energy: -126.548 flat angles C4'-P-C4' energy: -135.293 flat angles P-C4'-P energy: -92.591 tors. eta vs tors. theta energy: -166.861 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: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1869.824060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.824060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.824060 (E_RNA) where: Base-Base interactions energy: -1340.698 where: short stacking energy: -540.698 Base-Backbone interact. energy: 0.879 local terms energy: -530.004214 where: bonds (distance) C4'-P energy: -104.704 bonds (distance) P-C4' energy: -98.923 flat angles C4'-P-C4' energy: -118.589 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: -145.742 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: 343 Temperature: 1.350000 Total energy: -1200.050217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.050217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.050217 (E_RNA) where: Base-Base interactions energy: -767.072 where: short stacking energy: -339.268 Base-Backbone interact. energy: 1.928 local terms energy: -434.906851 where: bonds (distance) C4'-P energy: -102.853 bonds (distance) P-C4' energy: -120.589 flat angles C4'-P-C4' energy: -95.831 flat angles P-C4'-P energy: -54.016 tors. eta vs tors. theta energy: -61.618 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: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2686.699866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.699866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.699866 (E_RNA) where: Base-Base interactions energy: -1910.440 where: short stacking energy: -759.332 Base-Backbone interact. energy: -0.847 local terms energy: -775.412415 where: bonds (distance) C4'-P energy: -136.969 bonds (distance) P-C4' energy: -145.624 flat angles C4'-P-C4' energy: -156.066 flat angles P-C4'-P energy: -107.230 tors. eta vs tors. theta energy: -229.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2576.360047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.360047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.360047 (E_RNA) where: Base-Base interactions energy: -1838.159 where: short stacking energy: -760.531 Base-Backbone interact. energy: 1.073 local terms energy: -739.273335 where: bonds (distance) C4'-P energy: -135.431 bonds (distance) P-C4' energy: -124.950 flat angles C4'-P-C4' energy: -145.017 flat angles P-C4'-P energy: -109.718 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: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2537.793924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.793924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.793924 (E_RNA) where: Base-Base interactions energy: -1812.921 where: short stacking energy: -744.286 Base-Backbone interact. energy: -1.436 local terms energy: -723.436721 where: bonds (distance) C4'-P energy: -126.297 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -155.908 flat angles P-C4'-P energy: -97.789 tors. eta vs tors. theta energy: -216.699 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: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2447.201094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.201094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.201094 (E_RNA) where: Base-Base interactions energy: -1719.515 where: short stacking energy: -718.787 Base-Backbone interact. energy: -0.693 local terms energy: -726.992374 where: bonds (distance) C4'-P energy: -124.396 bonds (distance) P-C4' energy: -135.500 flat angles C4'-P-C4' energy: -158.473 flat angles P-C4'-P energy: -91.099 tors. eta vs tors. theta energy: -217.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2277.162456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.162456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.162456 (E_RNA) where: Base-Base interactions energy: -1608.289 where: short stacking energy: -637.600 Base-Backbone interact. energy: -1.588 local terms energy: -667.285357 where: bonds (distance) C4'-P energy: -122.472 bonds (distance) P-C4' energy: -122.130 flat angles C4'-P-C4' energy: -143.618 flat angles P-C4'-P energy: -93.538 tors. eta vs tors. theta energy: -185.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2252.422695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.422695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.422695 (E_RNA) where: Base-Base interactions energy: -1606.213 where: short stacking energy: -662.399 Base-Backbone interact. energy: -2.497 local terms energy: -643.712385 where: bonds (distance) C4'-P energy: -117.736 bonds (distance) P-C4' energy: -95.215 flat angles C4'-P-C4' energy: -133.114 flat angles P-C4'-P energy: -96.219 tors. eta vs tors. theta energy: -201.429 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: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1973.199522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.199522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.199522 (E_RNA) where: Base-Base interactions energy: -1357.551 where: short stacking energy: -588.164 Base-Backbone interact. energy: -2.273 local terms energy: -613.375337 where: bonds (distance) C4'-P energy: -104.341 bonds (distance) P-C4' energy: -118.958 flat angles C4'-P-C4' energy: -136.539 flat angles P-C4'-P energy: -92.028 tors. eta vs tors. theta energy: -161.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1895.501366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.501366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.501366 (E_RNA) where: Base-Base interactions energy: -1321.527 where: short stacking energy: -545.892 Base-Backbone interact. energy: -1.255 local terms energy: -572.719463 where: bonds (distance) C4'-P energy: -111.923 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -143.456 flat angles P-C4'-P energy: -71.592 tors. eta vs tors. theta energy: -145.770 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: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1900.325837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.325837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.325837 (E_RNA) where: Base-Base interactions energy: -1337.510 where: short stacking energy: -541.168 Base-Backbone interact. energy: 2.116 local terms energy: -564.931862 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -107.029 flat angles C4'-P-C4' energy: -131.471 flat angles P-C4'-P energy: -78.787 tors. eta vs tors. theta energy: -140.563 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: 344 Temperature: 1.350000 Total energy: -1244.669815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.669815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.669815 (E_RNA) where: Base-Base interactions energy: -807.875 where: short stacking energy: -351.324 Base-Backbone interact. energy: 7.060 local terms energy: -443.855354 where: bonds (distance) C4'-P energy: -99.831 bonds (distance) P-C4' energy: -113.938 flat angles C4'-P-C4' energy: -106.707 flat angles P-C4'-P energy: -63.032 tors. eta vs tors. theta energy: -60.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2683.882253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.882253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.882253 (E_RNA) where: Base-Base interactions energy: -1925.483 where: short stacking energy: -762.819 Base-Backbone interact. energy: -2.996 local terms energy: -755.403403 where: bonds (distance) C4'-P energy: -143.267 bonds (distance) P-C4' energy: -125.616 flat angles C4'-P-C4' energy: -151.289 flat angles P-C4'-P energy: -110.570 tors. eta vs tors. theta energy: -224.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2600.105178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.105178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.105178 (E_RNA) where: Base-Base interactions energy: -1826.675 where: short stacking energy: -757.987 Base-Backbone interact. energy: -0.196 local terms energy: -773.234679 where: bonds (distance) C4'-P energy: -136.756 bonds (distance) P-C4' energy: -119.089 flat angles C4'-P-C4' energy: -156.737 flat angles P-C4'-P energy: -119.556 tors. eta vs tors. theta energy: -241.097 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: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2560.611808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.611808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.611808 (E_RNA) where: Base-Base interactions energy: -1824.509 where: short stacking energy: -742.474 Base-Backbone interact. energy: -2.252 local terms energy: -733.851033 where: bonds (distance) C4'-P energy: -130.468 bonds (distance) P-C4' energy: -124.772 flat angles C4'-P-C4' energy: -154.942 flat angles P-C4'-P energy: -105.488 tors. eta vs tors. theta energy: -218.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2407.342805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.342805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.342805 (E_RNA) where: Base-Base interactions energy: -1717.324 where: short stacking energy: -709.233 Base-Backbone interact. energy: -1.381 local terms energy: -688.637422 where: bonds (distance) C4'-P energy: -124.489 bonds (distance) P-C4' energy: -126.501 flat angles C4'-P-C4' energy: -148.955 flat angles P-C4'-P energy: -82.564 tors. eta vs tors. theta energy: -206.128 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: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2337.491045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.491045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.491045 (E_RNA) where: Base-Base interactions energy: -1661.541 where: short stacking energy: -670.026 Base-Backbone interact. energy: 0.001 local terms energy: -675.950509 where: bonds (distance) C4'-P energy: -119.133 bonds (distance) P-C4' energy: -129.154 flat angles C4'-P-C4' energy: -142.200 flat angles P-C4'-P energy: -87.798 tors. eta vs tors. theta energy: -197.666 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: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2222.464759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.464759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.464759 (E_RNA) where: Base-Base interactions energy: -1569.056 where: short stacking energy: -629.533 Base-Backbone interact. energy: -1.868 local terms energy: -651.541133 where: bonds (distance) C4'-P energy: -112.699 bonds (distance) P-C4' energy: -111.753 flat angles C4'-P-C4' energy: -131.801 flat angles P-C4'-P energy: -102.829 tors. eta vs tors. theta energy: -192.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2016.662328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.662328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.662328 (E_RNA) where: Base-Base interactions energy: -1425.948 where: short stacking energy: -572.697 Base-Backbone interact. energy: 2.621 local terms energy: -593.335873 where: bonds (distance) C4'-P energy: -110.323 bonds (distance) P-C4' energy: -112.763 flat angles C4'-P-C4' energy: -120.851 flat angles P-C4'-P energy: -77.492 tors. eta vs tors. theta energy: -171.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1869.194294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.194294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.194294 (E_RNA) where: Base-Base interactions energy: -1311.585 where: short stacking energy: -515.655 Base-Backbone interact. energy: 0.139 local terms energy: -557.748180 where: bonds (distance) C4'-P energy: -103.240 bonds (distance) P-C4' energy: -114.621 flat angles C4'-P-C4' energy: -119.172 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -131.677 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: 345 Temperature: 1.300000 Total energy: -1829.799948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.799948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.799948 (E_RNA) where: Base-Base interactions energy: -1286.154 where: short stacking energy: -558.801 Base-Backbone interact. energy: 2.001 local terms energy: -545.647223 where: bonds (distance) C4'-P energy: -76.505 bonds (distance) P-C4' energy: -106.257 flat angles C4'-P-C4' energy: -120.246 flat angles P-C4'-P energy: -88.471 tors. eta vs tors. theta energy: -154.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1250.635210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.635210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.635210 (E_RNA) where: Base-Base interactions energy: -827.713 where: short stacking energy: -351.492 Base-Backbone interact. energy: -1.929 local terms energy: -420.993156 where: bonds (distance) C4'-P energy: -94.913 bonds (distance) P-C4' energy: -110.427 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -61.459 tors. eta vs tors. theta energy: -52.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2684.273038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.273038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.273038 (E_RNA) where: Base-Base interactions energy: -1909.045 where: short stacking energy: -761.687 Base-Backbone interact. energy: -1.881 local terms energy: -773.347134 where: bonds (distance) C4'-P energy: -127.064 bonds (distance) P-C4' energy: -138.301 flat angles C4'-P-C4' energy: -165.786 flat angles P-C4'-P energy: -117.310 tors. eta vs tors. theta energy: -224.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2584.837079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.837079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.837079 (E_RNA) where: Base-Base interactions energy: -1821.347 where: short stacking energy: -766.261 Base-Backbone interact. energy: -0.830 local terms energy: -762.659976 where: bonds (distance) C4'-P energy: -126.792 bonds (distance) P-C4' energy: -136.231 flat angles C4'-P-C4' energy: -152.573 flat angles P-C4'-P energy: -113.111 tors. eta vs tors. theta energy: -233.953 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: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2525.516137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.516137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.516137 (E_RNA) where: Base-Base interactions energy: -1821.578 where: short stacking energy: -743.870 Base-Backbone interact. energy: 0.045 local terms energy: -703.982736 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -120.255 flat angles C4'-P-C4' energy: -156.769 flat angles P-C4'-P energy: -97.821 tors. eta vs tors. theta energy: -215.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2439.091131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.091131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.091131 (E_RNA) where: Base-Base interactions energy: -1719.965 where: short stacking energy: -700.979 Base-Backbone interact. energy: -2.796 local terms energy: -716.330515 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -132.723 flat angles C4'-P-C4' energy: -152.117 flat angles P-C4'-P energy: -106.850 tors. eta vs tors. theta energy: -202.829 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: 7 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2297.753315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.753315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.753315 (E_RNA) where: Base-Base interactions energy: -1639.306 where: short stacking energy: -669.962 Base-Backbone interact. energy: 0.574 local terms energy: -659.021412 where: bonds (distance) C4'-P energy: -115.636 bonds (distance) P-C4' energy: -111.484 flat angles C4'-P-C4' energy: -132.092 flat angles P-C4'-P energy: -94.696 tors. eta vs tors. theta energy: -205.113 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: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2248.009293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.009293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.009293 (E_RNA) where: Base-Base interactions energy: -1613.391 where: short stacking energy: -649.596 Base-Backbone interact. energy: 1.746 local terms energy: -636.364440 where: bonds (distance) C4'-P energy: -118.243 bonds (distance) P-C4' energy: -105.831 flat angles C4'-P-C4' energy: -129.538 flat angles P-C4'-P energy: -96.528 tors. eta vs tors. theta energy: -186.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1998.107591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.107591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.107591 (E_RNA) where: Base-Base interactions energy: -1400.705 where: short stacking energy: -583.652 Base-Backbone interact. energy: 0.549 local terms energy: -597.951018 where: bonds (distance) C4'-P energy: -111.985 bonds (distance) P-C4' energy: -109.305 flat angles C4'-P-C4' energy: -143.410 flat angles P-C4'-P energy: -73.043 tors. eta vs tors. theta energy: -160.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1958.001917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.001917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.001917 (E_RNA) where: Base-Base interactions energy: -1380.163 where: short stacking energy: -576.488 Base-Backbone interact. energy: 1.636 local terms energy: -579.475515 where: bonds (distance) C4'-P energy: -114.425 bonds (distance) P-C4' energy: -108.512 flat angles C4'-P-C4' energy: -129.529 flat angles P-C4'-P energy: -82.217 tors. eta vs tors. theta energy: -144.793 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: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1758.902596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.902596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.902596 (E_RNA) where: Base-Base interactions energy: -1205.300 where: short stacking energy: -486.894 Base-Backbone interact. energy: -1.210 local terms energy: -552.392824 where: bonds (distance) C4'-P energy: -96.832 bonds (distance) P-C4' energy: -117.422 flat angles C4'-P-C4' energy: -117.980 flat angles P-C4'-P energy: -85.022 tors. eta vs tors. theta energy: -135.136 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: 346 Temperature: 1.350000 Total energy: -1202.685900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.685900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.685900 (E_RNA) where: Base-Base interactions energy: -793.880 where: short stacking energy: -344.823 Base-Backbone interact. energy: 0.905 local terms energy: -409.710107 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -88.883 flat angles C4'-P-C4' energy: -95.769 flat angles P-C4'-P energy: -65.973 tors. eta vs tors. theta energy: -57.436 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: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2684.243172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.243172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.243172 (E_RNA) where: Base-Base interactions energy: -1918.234 where: short stacking energy: -772.386 Base-Backbone interact. energy: -0.504 local terms energy: -765.505984 where: bonds (distance) C4'-P energy: -138.444 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -157.742 flat angles P-C4'-P energy: -109.140 tors. eta vs tors. theta energy: -226.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2608.152318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.152318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.152318 (E_RNA) where: Base-Base interactions energy: -1837.943 where: short stacking energy: -765.442 Base-Backbone interact. energy: -1.097 local terms energy: -769.112511 where: bonds (distance) C4'-P energy: -137.681 bonds (distance) P-C4' energy: -132.963 flat angles C4'-P-C4' energy: -155.903 flat angles P-C4'-P energy: -105.080 tors. eta vs tors. theta energy: -237.486 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2549.451231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.451231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.451231 (E_RNA) where: Base-Base interactions energy: -1833.602 where: short stacking energy: -735.766 Base-Backbone interact. energy: -0.355 local terms energy: -715.493920 where: bonds (distance) C4'-P energy: -130.163 bonds (distance) P-C4' energy: -120.023 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -113.063 tors. eta vs tors. theta energy: -215.675 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: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2391.857815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.857815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.857815 (E_RNA) where: Base-Base interactions energy: -1703.892 where: short stacking energy: -678.083 Base-Backbone interact. energy: -0.875 local terms energy: -687.091178 where: bonds (distance) C4'-P energy: -130.827 bonds (distance) P-C4' energy: -108.935 flat angles C4'-P-C4' energy: -139.654 flat angles P-C4'-P energy: -106.206 tors. eta vs tors. theta energy: -201.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2339.138271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.138271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.138271 (E_RNA) where: Base-Base interactions energy: -1675.927 where: short stacking energy: -672.080 Base-Backbone interact. energy: -0.540 local terms energy: -662.671207 where: bonds (distance) C4'-P energy: -133.060 bonds (distance) P-C4' energy: -111.353 flat angles C4'-P-C4' energy: -137.529 flat angles P-C4'-P energy: -86.788 tors. eta vs tors. theta energy: -193.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2214.131725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.131725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.131725 (E_RNA) where: Base-Base interactions energy: -1600.382 where: short stacking energy: -643.258 Base-Backbone interact. energy: 0.187 local terms energy: -613.937266 where: bonds (distance) C4'-P energy: -113.408 bonds (distance) P-C4' energy: -109.770 flat angles C4'-P-C4' energy: -135.300 flat angles P-C4'-P energy: -75.279 tors. eta vs tors. theta energy: -180.180 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: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2029.522311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.522311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.522311 (E_RNA) where: Base-Base interactions energy: -1417.151 where: short stacking energy: -585.406 Base-Backbone interact. energy: -1.291 local terms energy: -611.080699 where: bonds (distance) C4'-P energy: -113.959 bonds (distance) P-C4' energy: -101.003 flat angles C4'-P-C4' energy: -132.735 flat angles P-C4'-P energy: -90.522 tors. eta vs tors. theta energy: -172.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1916.344345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.344345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.344345 (E_RNA) where: Base-Base interactions energy: -1320.411 where: short stacking energy: -543.179 Base-Backbone interact. energy: -3.740 local terms energy: -592.193098 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -118.777 flat angles C4'-P-C4' energy: -141.151 flat angles P-C4'-P energy: -89.461 tors. eta vs tors. theta energy: -145.570 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: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1761.679351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.679351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.679351 (E_RNA) where: Base-Base interactions energy: -1189.980 where: short stacking energy: -506.551 Base-Backbone interact. energy: 0.827 local terms energy: -572.526048 where: bonds (distance) C4'-P energy: -107.050 bonds (distance) P-C4' energy: -131.037 flat angles C4'-P-C4' energy: -118.795 flat angles P-C4'-P energy: -86.791 tors. eta vs tors. theta energy: -128.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1178.184615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.184615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.184615 (E_RNA) where: Base-Base interactions energy: -711.775 where: short stacking energy: -307.724 Base-Backbone interact. energy: 2.387 local terms energy: -468.796680 where: bonds (distance) C4'-P energy: -115.654 bonds (distance) P-C4' energy: -121.110 flat angles C4'-P-C4' energy: -108.794 flat angles P-C4'-P energy: -74.927 tors. eta vs tors. theta energy: -48.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2700.524408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.524408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.524408 (E_RNA) where: Base-Base interactions energy: -1944.971 where: short stacking energy: -760.683 Base-Backbone interact. energy: -4.655 local terms energy: -750.897700 where: bonds (distance) C4'-P energy: -133.515 bonds (distance) P-C4' energy: -134.755 flat angles C4'-P-C4' energy: -157.656 flat angles P-C4'-P energy: -104.084 tors. eta vs tors. theta energy: -220.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2574.360041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.360041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.360041 (E_RNA) where: Base-Base interactions energy: -1812.363 where: short stacking energy: -753.497 Base-Backbone interact. energy: -0.771 local terms energy: -761.226536 where: bonds (distance) C4'-P energy: -129.453 bonds (distance) P-C4' energy: -130.845 flat angles C4'-P-C4' energy: -157.068 flat angles P-C4'-P energy: -109.208 tors. eta vs tors. theta energy: -234.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2546.619895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.619895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.619895 (E_RNA) where: Base-Base interactions energy: -1835.739 where: short stacking energy: -737.599 Base-Backbone interact. energy: -1.675 local terms energy: -709.205600 where: bonds (distance) C4'-P energy: -120.880 bonds (distance) P-C4' energy: -130.041 flat angles C4'-P-C4' energy: -147.446 flat angles P-C4'-P energy: -97.672 tors. eta vs tors. theta energy: -213.167 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: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2335.573035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.573035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.573035 (E_RNA) where: Base-Base interactions energy: -1656.639 where: short stacking energy: -677.451 Base-Backbone interact. energy: 1.777 local terms energy: -680.711168 where: bonds (distance) C4'-P energy: -128.148 bonds (distance) P-C4' energy: -126.135 flat angles C4'-P-C4' energy: -141.852 flat angles P-C4'-P energy: -89.118 tors. eta vs tors. theta energy: -195.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2392.734062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.734062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.734062 (E_RNA) where: Base-Base interactions energy: -1698.929 where: short stacking energy: -693.915 Base-Backbone interact. energy: -2.678 local terms energy: -691.126859 where: bonds (distance) C4'-P energy: -106.459 bonds (distance) P-C4' energy: -125.468 flat angles C4'-P-C4' energy: -144.979 flat angles P-C4'-P energy: -102.046 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: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2204.472269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.472269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.472269 (E_RNA) where: Base-Base interactions energy: -1564.599 where: short stacking energy: -639.498 Base-Backbone interact. energy: -0.966 local terms energy: -638.907084 where: bonds (distance) C4'-P energy: -108.652 bonds (distance) P-C4' energy: -120.335 flat angles C4'-P-C4' energy: -126.441 flat angles P-C4'-P energy: -101.899 tors. eta vs tors. theta energy: -181.579 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: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2050.473486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.473486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.473486 (E_RNA) where: Base-Base interactions energy: -1445.098 where: short stacking energy: -608.884 Base-Backbone interact. energy: -0.766 local terms energy: -604.608993 where: bonds (distance) C4'-P energy: -115.029 bonds (distance) P-C4' energy: -108.823 flat angles C4'-P-C4' energy: -121.964 flat angles P-C4'-P energy: -92.702 tors. eta vs tors. theta energy: -166.091 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: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -2024.930167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.930167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.930167 (E_RNA) where: Base-Base interactions energy: -1455.903 where: short stacking energy: -600.684 Base-Backbone interact. energy: 1.397 local terms energy: -570.424158 where: bonds (distance) C4'-P energy: -111.426 bonds (distance) P-C4' energy: -74.442 flat angles C4'-P-C4' energy: -127.820 flat angles P-C4'-P energy: -93.248 tors. eta vs tors. theta energy: -163.489 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: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1771.309573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.309573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.309573 (E_RNA) where: Base-Base interactions energy: -1228.294 where: short stacking energy: -518.763 Base-Backbone interact. energy: 0.357 local terms energy: -543.371828 where: bonds (distance) C4'-P energy: -102.153 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -111.875 flat angles P-C4'-P energy: -86.769 tors. eta vs tors. theta energy: -132.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1091.124178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.124178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.124178 (E_RNA) where: Base-Base interactions energy: -670.839 where: short stacking energy: -299.867 Base-Backbone interact. energy: -5.009 local terms energy: -415.275795 where: bonds (distance) C4'-P energy: -115.000 bonds (distance) P-C4' energy: -110.509 flat angles C4'-P-C4' energy: -96.362 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -43.575 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: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2688.364848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.364848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.364848 (E_RNA) where: Base-Base interactions energy: -1922.880 where: short stacking energy: -773.584 Base-Backbone interact. energy: -1.943 local terms energy: -763.542160 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -127.556 flat angles C4'-P-C4' energy: -159.955 flat angles P-C4'-P energy: -119.732 tors. eta vs tors. theta energy: -220.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2563.847275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.847275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.847275 (E_RNA) where: Base-Base interactions energy: -1798.659 where: short stacking energy: -762.350 Base-Backbone interact. energy: -0.634 local terms energy: -764.554702 where: bonds (distance) C4'-P energy: -125.356 bonds (distance) P-C4' energy: -132.712 flat angles C4'-P-C4' energy: -153.710 flat angles P-C4'-P energy: -116.065 tors. eta vs tors. theta energy: -236.711 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: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2539.240859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.240859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.240859 (E_RNA) where: Base-Base interactions energy: -1814.810 where: short stacking energy: -748.214 Base-Backbone interact. energy: 1.147 local terms energy: -725.578089 where: bonds (distance) C4'-P energy: -122.686 bonds (distance) P-C4' energy: -140.689 flat angles C4'-P-C4' energy: -146.257 flat angles P-C4'-P energy: -102.618 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: 1 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2440.199735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.199735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.199735 (E_RNA) where: Base-Base interactions energy: -1720.629 where: short stacking energy: -705.017 Base-Backbone interact. energy: -0.822 local terms energy: -718.748316 where: bonds (distance) C4'-P energy: -122.980 bonds (distance) P-C4' energy: -129.457 flat angles C4'-P-C4' energy: -149.943 flat angles P-C4'-P energy: -104.258 tors. eta vs tors. theta energy: -212.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2294.738790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.738790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.738790 (E_RNA) where: Base-Base interactions energy: -1624.864 where: short stacking energy: -682.436 Base-Backbone interact. energy: -1.465 local terms energy: -668.409638 where: bonds (distance) C4'-P energy: -122.810 bonds (distance) P-C4' energy: -103.204 flat angles C4'-P-C4' energy: -154.414 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -197.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2248.469440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.469440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.469440 (E_RNA) where: Base-Base interactions energy: -1600.529 where: short stacking energy: -642.963 Base-Backbone interact. energy: -5.450 local terms energy: -642.490071 where: bonds (distance) C4'-P energy: -116.575 bonds (distance) P-C4' energy: -108.199 flat angles C4'-P-C4' energy: -141.595 flat angles P-C4'-P energy: -86.695 tors. eta vs tors. theta energy: -189.427 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: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2084.853102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.853102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.853102 (E_RNA) where: Base-Base interactions energy: -1485.112 where: short stacking energy: -611.497 Base-Backbone interact. energy: 0.960 local terms energy: -600.701802 where: bonds (distance) C4'-P energy: -105.972 bonds (distance) P-C4' energy: -108.520 flat angles C4'-P-C4' energy: -132.711 flat angles P-C4'-P energy: -87.115 tors. eta vs tors. theta energy: -166.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1998.000306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.000306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.000306 (E_RNA) where: Base-Base interactions energy: -1423.030 where: short stacking energy: -569.876 Base-Backbone interact. energy: -0.190 local terms energy: -574.779880 where: bonds (distance) C4'-P energy: -97.552 bonds (distance) P-C4' energy: -102.927 flat angles C4'-P-C4' energy: -137.584 flat angles P-C4'-P energy: -82.793 tors. eta vs tors. theta energy: -153.924 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: 349 Temperature: 1.300000 Total energy: -1687.058687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.058687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.058687 (E_RNA) where: Base-Base interactions energy: -1139.562 where: short stacking energy: -476.086 Base-Backbone interact. energy: 1.141 local terms energy: -548.636818 where: bonds (distance) C4'-P energy: -105.672 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -127.965 flat angles P-C4'-P energy: -74.597 tors. eta vs tors. theta energy: -115.761 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: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1158.955442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.955442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.955442 (E_RNA) where: Base-Base interactions energy: -726.978 where: short stacking energy: -334.007 Base-Backbone interact. energy: -0.618 local terms energy: -431.359604 where: bonds (distance) C4'-P energy: -118.498 bonds (distance) P-C4' energy: -104.836 flat angles C4'-P-C4' energy: -115.177 flat angles P-C4'-P energy: -47.550 tors. eta vs tors. theta energy: -45.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2703.039814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.039814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.039814 (E_RNA) where: Base-Base interactions energy: -1913.699 where: short stacking energy: -766.423 Base-Backbone interact. energy: 0.765 local terms energy: -790.105956 where: bonds (distance) C4'-P energy: -147.705 bonds (distance) P-C4' energy: -131.605 flat angles C4'-P-C4' energy: -159.696 flat angles P-C4'-P energy: -121.993 tors. eta vs tors. theta energy: -229.107 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: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2592.820585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.820585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.820585 (E_RNA) where: Base-Base interactions energy: -1828.466 where: short stacking energy: -771.486 Base-Backbone interact. energy: -1.639 local terms energy: -762.716294 where: bonds (distance) C4'-P energy: -133.346 bonds (distance) P-C4' energy: -133.878 flat angles C4'-P-C4' energy: -156.681 flat angles P-C4'-P energy: -109.552 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: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2483.846517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.846517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.846517 (E_RNA) where: Base-Base interactions energy: -1774.837 where: short stacking energy: -741.824 Base-Backbone interact. energy: -1.581 local terms energy: -707.428451 where: bonds (distance) C4'-P energy: -122.336 bonds (distance) P-C4' energy: -121.365 flat angles C4'-P-C4' energy: -153.772 flat angles P-C4'-P energy: -96.160 tors. eta vs tors. theta energy: -213.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2455.536945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.536945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.536945 (E_RNA) where: Base-Base interactions energy: -1741.847 where: short stacking energy: -706.307 Base-Backbone interact. energy: -1.882 local terms energy: -711.808563 where: bonds (distance) C4'-P energy: -119.483 bonds (distance) P-C4' energy: -122.092 flat angles C4'-P-C4' energy: -158.748 flat angles P-C4'-P energy: -98.002 tors. eta vs tors. theta energy: -213.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2340.573382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.573382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.573382 (E_RNA) where: Base-Base interactions energy: -1692.307 where: short stacking energy: -673.881 Base-Backbone interact. energy: -1.958 local terms energy: -646.308745 where: bonds (distance) C4'-P energy: -109.976 bonds (distance) P-C4' energy: -133.130 flat angles C4'-P-C4' energy: -122.448 flat angles P-C4'-P energy: -84.534 tors. eta vs tors. theta energy: -196.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2229.714776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.714776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.714776 (E_RNA) where: Base-Base interactions energy: -1588.208 where: short stacking energy: -630.318 Base-Backbone interact. energy: -0.601 local terms energy: -640.906147 where: bonds (distance) C4'-P energy: -107.698 bonds (distance) P-C4' energy: -110.586 flat angles C4'-P-C4' energy: -141.154 flat angles P-C4'-P energy: -86.720 tors. eta vs tors. theta energy: -194.749 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: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2096.454740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.454740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.454740 (E_RNA) where: Base-Base interactions energy: -1486.297 where: short stacking energy: -608.151 Base-Backbone interact. energy: 1.787 local terms energy: -611.945168 where: bonds (distance) C4'-P energy: -107.368 bonds (distance) P-C4' energy: -107.977 flat angles C4'-P-C4' energy: -135.899 flat angles P-C4'-P energy: -92.648 tors. eta vs tors. theta energy: -168.053 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: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1983.719693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.719693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.719693 (E_RNA) where: Base-Base interactions energy: -1404.549 where: short stacking energy: -577.740 Base-Backbone interact. energy: -0.332 local terms energy: -578.838299 where: bonds (distance) C4'-P energy: -114.469 bonds (distance) P-C4' energy: -88.528 flat angles C4'-P-C4' energy: -140.160 flat angles P-C4'-P energy: -72.673 tors. eta vs tors. theta energy: -163.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1615.824102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.824102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.824102 (E_RNA) where: Base-Base interactions energy: -1096.927 where: short stacking energy: -470.635 Base-Backbone interact. energy: 3.023 local terms energy: -521.920808 where: bonds (distance) C4'-P energy: -106.156 bonds (distance) P-C4' energy: -102.785 flat angles C4'-P-C4' energy: -123.019 flat angles P-C4'-P energy: -74.422 tors. eta vs tors. theta energy: -115.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1143.476545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.476545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.476545 (E_RNA) where: Base-Base interactions energy: -703.915 where: short stacking energy: -297.398 Base-Backbone interact. energy: 1.000 local terms energy: -440.561895 where: bonds (distance) C4'-P energy: -95.679 bonds (distance) P-C4' energy: -107.873 flat angles C4'-P-C4' energy: -114.520 flat angles P-C4'-P energy: -71.960 tors. eta vs tors. theta energy: -50.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2697.328392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.328392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.328392 (E_RNA) where: Base-Base interactions energy: -1962.603 where: short stacking energy: -775.585 Base-Backbone interact. energy: -0.731 local terms energy: -733.993832 where: bonds (distance) C4'-P energy: -118.391 bonds (distance) P-C4' energy: -132.932 flat angles C4'-P-C4' energy: -151.925 flat angles P-C4'-P energy: -104.259 tors. eta vs tors. theta energy: -226.487 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: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2582.303237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.303237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.303237 (E_RNA) where: Base-Base interactions energy: -1814.512 where: short stacking energy: -763.628 Base-Backbone interact. energy: -2.912 local terms energy: -764.879521 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -133.476 flat angles C4'-P-C4' energy: -159.412 flat angles P-C4'-P energy: -110.897 tors. eta vs tors. theta energy: -237.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2478.986019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.986019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.986019 (E_RNA) where: Base-Base interactions energy: -1736.037 where: short stacking energy: -708.887 Base-Backbone interact. energy: -2.517 local terms energy: -740.431946 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -126.218 flat angles C4'-P-C4' energy: -152.537 flat angles P-C4'-P energy: -113.631 tors. eta vs tors. theta energy: -217.975 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: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2445.411657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.411657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.411657 (E_RNA) where: Base-Base interactions energy: -1742.021 where: short stacking energy: -692.632 Base-Backbone interact. energy: 0.123 local terms energy: -703.514013 where: bonds (distance) C4'-P energy: -118.011 bonds (distance) P-C4' energy: -118.087 flat angles C4'-P-C4' energy: -152.675 flat angles P-C4'-P energy: -104.071 tors. eta vs tors. theta energy: -210.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2321.546563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.546563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.546563 (E_RNA) where: Base-Base interactions energy: -1653.399 where: short stacking energy: -662.241 Base-Backbone interact. energy: -0.687 local terms energy: -667.460462 where: bonds (distance) C4'-P energy: -118.576 bonds (distance) P-C4' energy: -117.887 flat angles C4'-P-C4' energy: -145.465 flat angles P-C4'-P energy: -95.837 tors. eta vs tors. theta energy: -189.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2249.364639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.364639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.364639 (E_RNA) where: Base-Base interactions energy: -1594.391 where: short stacking energy: -636.228 Base-Backbone interact. energy: -0.899 local terms energy: -654.074699 where: bonds (distance) C4'-P energy: -115.276 bonds (distance) P-C4' energy: -120.903 flat angles C4'-P-C4' energy: -135.512 flat angles P-C4'-P energy: -87.392 tors. eta vs tors. theta energy: -194.991 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: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2122.983781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.983781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.983781 (E_RNA) where: Base-Base interactions energy: -1522.906 where: short stacking energy: -611.326 Base-Backbone interact. energy: -0.982 local terms energy: -599.095784 where: bonds (distance) C4'-P energy: -96.966 bonds (distance) P-C4' energy: -96.611 flat angles C4'-P-C4' energy: -140.222 flat angles P-C4'-P energy: -94.812 tors. eta vs tors. theta energy: -170.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1988.879953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.879953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.879953 (E_RNA) where: Base-Base interactions energy: -1395.747 where: short stacking energy: -570.656 Base-Backbone interact. energy: -1.599 local terms energy: -591.534382 where: bonds (distance) C4'-P energy: -109.709 bonds (distance) P-C4' energy: -102.967 flat angles C4'-P-C4' energy: -135.698 flat angles P-C4'-P energy: -74.890 tors. eta vs tors. theta energy: -168.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1597.497868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.497868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.497868 (E_RNA) where: Base-Base interactions energy: -1094.763 where: short stacking energy: -456.643 Base-Backbone interact. energy: 1.138 local terms energy: -503.872745 where: bonds (distance) C4'-P energy: -99.496 bonds (distance) P-C4' energy: -114.542 flat angles C4'-P-C4' energy: -114.214 flat angles P-C4'-P energy: -73.799 tors. eta vs tors. theta energy: -101.821 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: 351 Temperature: 1.350000 Total energy: -1101.682294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.682294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.682294 (E_RNA) where: Base-Base interactions energy: -654.987 where: short stacking energy: -297.101 Base-Backbone interact. energy: 1.152 local terms energy: -447.847562 where: bonds (distance) C4'-P energy: -108.134 bonds (distance) P-C4' energy: -118.728 flat angles C4'-P-C4' energy: -104.490 flat angles P-C4'-P energy: -73.266 tors. eta vs tors. theta energy: -43.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2670.689668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.689668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.689668 (E_RNA) where: Base-Base interactions energy: -1905.586 where: short stacking energy: -734.751 Base-Backbone interact. energy: 0.887 local terms energy: -765.990823 where: bonds (distance) C4'-P energy: -123.528 bonds (distance) P-C4' energy: -134.929 flat angles C4'-P-C4' energy: -159.180 flat angles P-C4'-P energy: -123.205 tors. eta vs tors. theta energy: -225.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2593.171799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.171799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.171799 (E_RNA) where: Base-Base interactions energy: -1813.621 where: short stacking energy: -761.691 Base-Backbone interact. energy: -0.932 local terms energy: -778.619222 where: bonds (distance) C4'-P energy: -133.516 bonds (distance) P-C4' energy: -143.626 flat angles C4'-P-C4' energy: -159.356 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -236.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2523.643177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.643177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.643177 (E_RNA) where: Base-Base interactions energy: -1826.065 where: short stacking energy: -720.968 Base-Backbone interact. energy: -2.333 local terms energy: -695.245275 where: bonds (distance) C4'-P energy: -109.502 bonds (distance) P-C4' energy: -120.450 flat angles C4'-P-C4' energy: -162.309 flat angles P-C4'-P energy: -86.628 tors. eta vs tors. theta energy: -216.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2444.995784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.995784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.995784 (E_RNA) where: Base-Base interactions energy: -1707.485 where: short stacking energy: -691.469 Base-Backbone interact. energy: -2.439 local terms energy: -735.071983 where: bonds (distance) C4'-P energy: -122.820 bonds (distance) P-C4' energy: -137.659 flat angles C4'-P-C4' energy: -153.386 flat angles P-C4'-P energy: -104.843 tors. eta vs tors. theta energy: -216.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2322.310712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.310712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.310712 (E_RNA) where: Base-Base interactions energy: -1634.173 where: short stacking energy: -685.815 Base-Backbone interact. energy: -0.788 local terms energy: -687.349535 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -119.517 flat angles C4'-P-C4' energy: -156.920 flat angles P-C4'-P energy: -82.980 tors. eta vs tors. theta energy: -208.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2241.504142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.504142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.504142 (E_RNA) where: Base-Base interactions energy: -1610.852 where: short stacking energy: -639.525 Base-Backbone interact. energy: -0.524 local terms energy: -630.128630 where: bonds (distance) C4'-P energy: -96.100 bonds (distance) P-C4' energy: -121.670 flat angles C4'-P-C4' energy: -132.147 flat angles P-C4'-P energy: -98.417 tors. eta vs tors. theta energy: -181.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2080.464873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.464873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.464873 (E_RNA) where: Base-Base interactions energy: -1433.188 where: short stacking energy: -581.395 Base-Backbone interact. energy: 0.107 local terms energy: -647.383629 where: bonds (distance) C4'-P energy: -123.446 bonds (distance) P-C4' energy: -114.171 flat angles C4'-P-C4' energy: -148.082 flat angles P-C4'-P energy: -88.031 tors. eta vs tors. theta energy: -173.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -2034.613756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.613756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.613756 (E_RNA) where: Base-Base interactions energy: -1413.839 where: short stacking energy: -583.582 Base-Backbone interact. energy: -0.615 local terms energy: -620.159198 where: bonds (distance) C4'-P energy: -101.260 bonds (distance) P-C4' energy: -118.663 flat angles C4'-P-C4' energy: -141.293 flat angles P-C4'-P energy: -90.970 tors. eta vs tors. theta energy: -167.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1626.190644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.190644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.190644 (E_RNA) where: Base-Base interactions energy: -1129.207 where: short stacking energy: -471.740 Base-Backbone interact. energy: 2.170 local terms energy: -499.154143 where: bonds (distance) C4'-P energy: -98.538 bonds (distance) P-C4' energy: -99.677 flat angles C4'-P-C4' energy: -123.940 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -116.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1112.999198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.999198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.999198 (E_RNA) where: Base-Base interactions energy: -702.445 where: short stacking energy: -311.754 Base-Backbone interact. energy: 2.682 local terms energy: -413.235477 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -111.822 flat angles C4'-P-C4' energy: -88.172 flat angles P-C4'-P energy: -60.902 tors. eta vs tors. theta energy: -43.293 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: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2713.294045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.294045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.294045 (E_RNA) where: Base-Base interactions energy: -1935.277 where: short stacking energy: -776.902 Base-Backbone interact. energy: -2.363 local terms energy: -775.653703 where: bonds (distance) C4'-P energy: -137.003 bonds (distance) P-C4' energy: -141.122 flat angles C4'-P-C4' energy: -162.195 flat angles P-C4'-P energy: -106.379 tors. eta vs tors. theta energy: -228.954 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: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2582.750616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.750616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.750616 (E_RNA) where: Base-Base interactions energy: -1835.591 where: short stacking energy: -762.220 Base-Backbone interact. energy: -0.693 local terms energy: -746.466384 where: bonds (distance) C4'-P energy: -129.988 bonds (distance) P-C4' energy: -125.265 flat angles C4'-P-C4' energy: -156.277 flat angles P-C4'-P energy: -102.776 tors. eta vs tors. theta energy: -232.161 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: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2524.863936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.863936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.863936 (E_RNA) where: Base-Base interactions energy: -1801.843 where: short stacking energy: -726.401 Base-Backbone interact. energy: -3.954 local terms energy: -719.066155 where: bonds (distance) C4'-P energy: -125.525 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -151.195 flat angles P-C4'-P energy: -102.943 tors. eta vs tors. theta energy: -218.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2416.814034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.814034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.814034 (E_RNA) where: Base-Base interactions energy: -1719.223 where: short stacking energy: -704.010 Base-Backbone interact. energy: -1.442 local terms energy: -696.149735 where: bonds (distance) C4'-P energy: -125.388 bonds (distance) P-C4' energy: -121.293 flat angles C4'-P-C4' energy: -147.869 flat angles P-C4'-P energy: -103.327 tors. eta vs tors. theta energy: -198.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2317.460866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.460866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.460866 (E_RNA) where: Base-Base interactions energy: -1650.306 where: short stacking energy: -662.961 Base-Backbone interact. energy: -0.896 local terms energy: -666.258847 where: bonds (distance) C4'-P energy: -99.657 bonds (distance) P-C4' energy: -113.953 flat angles C4'-P-C4' energy: -150.948 flat angles P-C4'-P energy: -99.276 tors. eta vs tors. theta energy: -202.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2255.305860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.305860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.305860 (E_RNA) where: Base-Base interactions energy: -1604.871 where: short stacking energy: -651.340 Base-Backbone interact. energy: -3.550 local terms energy: -646.885025 where: bonds (distance) C4'-P energy: -107.325 bonds (distance) P-C4' energy: -114.314 flat angles C4'-P-C4' energy: -148.674 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -189.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2125.721477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.721477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.721477 (E_RNA) where: Base-Base interactions energy: -1512.727 where: short stacking energy: -620.909 Base-Backbone interact. energy: 1.630 local terms energy: -614.624629 where: bonds (distance) C4'-P energy: -107.290 bonds (distance) P-C4' energy: -96.945 flat angles C4'-P-C4' energy: -144.899 flat angles P-C4'-P energy: -89.137 tors. eta vs tors. theta energy: -176.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -2030.158110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.158110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.158110 (E_RNA) where: Base-Base interactions energy: -1447.578 where: short stacking energy: -572.361 Base-Backbone interact. energy: 0.635 local terms energy: -583.215452 where: bonds (distance) C4'-P energy: -106.177 bonds (distance) P-C4' energy: -107.948 flat angles C4'-P-C4' energy: -126.324 flat angles P-C4'-P energy: -80.898 tors. eta vs tors. theta energy: -161.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1657.428773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.428773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.428773 (E_RNA) where: Base-Base interactions energy: -1136.851 where: short stacking energy: -485.915 Base-Backbone interact. energy: 1.208 local terms energy: -521.785264 where: bonds (distance) C4'-P energy: -115.338 bonds (distance) P-C4' energy: -116.767 flat angles C4'-P-C4' energy: -114.728 flat angles P-C4'-P energy: -67.719 tors. eta vs tors. theta energy: -107.234 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: 353 Temperature: 1.350000 Total energy: -1195.558728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.558728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.558728 (E_RNA) where: Base-Base interactions energy: -786.419 where: short stacking energy: -343.188 Base-Backbone interact. energy: -0.818 local terms energy: -408.321344 where: bonds (distance) C4'-P energy: -97.838 bonds (distance) P-C4' energy: -98.898 flat angles C4'-P-C4' energy: -91.253 flat angles P-C4'-P energy: -62.230 tors. eta vs tors. theta energy: -58.102 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: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2709.938736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.938736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.938736 (E_RNA) where: Base-Base interactions energy: -1939.569 where: short stacking energy: -781.681 Base-Backbone interact. energy: -3.377 local terms energy: -766.992908 where: bonds (distance) C4'-P energy: -131.313 bonds (distance) P-C4' energy: -141.614 flat angles C4'-P-C4' energy: -161.807 flat angles P-C4'-P energy: -102.205 tors. eta vs tors. theta energy: -230.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2547.174561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.174561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.174561 (E_RNA) where: Base-Base interactions energy: -1816.434 where: short stacking energy: -761.326 Base-Backbone interact. energy: -0.209 local terms energy: -730.531541 where: bonds (distance) C4'-P energy: -123.625 bonds (distance) P-C4' energy: -123.351 flat angles C4'-P-C4' energy: -149.594 flat angles P-C4'-P energy: -102.010 tors. eta vs tors. theta energy: -231.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2556.976953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.976953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.976953 (E_RNA) where: Base-Base interactions energy: -1832.642 where: short stacking energy: -757.908 Base-Backbone interact. energy: -2.548 local terms energy: -721.787101 where: bonds (distance) C4'-P energy: -125.164 bonds (distance) P-C4' energy: -119.383 flat angles C4'-P-C4' energy: -158.358 flat angles P-C4'-P energy: -91.775 tors. eta vs tors. theta energy: -227.108 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: 354 Temperature: 1.050000 Total energy: -2414.622882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.622882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.622882 (E_RNA) where: Base-Base interactions energy: -1728.433 where: short stacking energy: -727.411 Base-Backbone interact. energy: -1.172 local terms energy: -685.017997 where: bonds (distance) C4'-P energy: -116.823 bonds (distance) P-C4' energy: -114.906 flat angles C4'-P-C4' energy: -145.666 flat angles P-C4'-P energy: -98.092 tors. eta vs tors. theta energy: -209.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2350.094481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.094481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.094481 (E_RNA) where: Base-Base interactions energy: -1653.156 where: short stacking energy: -676.384 Base-Backbone interact. energy: 4.109 local terms energy: -701.047562 where: bonds (distance) C4'-P energy: -123.650 bonds (distance) P-C4' energy: -125.315 flat angles C4'-P-C4' energy: -155.415 flat angles P-C4'-P energy: -96.562 tors. eta vs tors. theta energy: -200.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2195.474022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.474022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.474022 (E_RNA) where: Base-Base interactions energy: -1557.023 where: short stacking energy: -646.080 Base-Backbone interact. energy: -0.617 local terms energy: -637.834080 where: bonds (distance) C4'-P energy: -118.964 bonds (distance) P-C4' energy: -106.534 flat angles C4'-P-C4' energy: -137.189 flat angles P-C4'-P energy: -84.307 tors. eta vs tors. theta energy: -190.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2104.664267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.664267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.664267 (E_RNA) where: Base-Base interactions energy: -1492.610 where: short stacking energy: -594.665 Base-Backbone interact. energy: -3.207 local terms energy: -608.846810 where: bonds (distance) C4'-P energy: -107.452 bonds (distance) P-C4' energy: -117.250 flat angles C4'-P-C4' energy: -137.631 flat angles P-C4'-P energy: -84.705 tors. eta vs tors. theta energy: -161.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -2019.711894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.711894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.711894 (E_RNA) where: Base-Base interactions energy: -1441.060 where: short stacking energy: -590.229 Base-Backbone interact. energy: -1.352 local terms energy: -577.300266 where: bonds (distance) C4'-P energy: -106.553 bonds (distance) P-C4' energy: -98.582 flat angles C4'-P-C4' energy: -125.015 flat angles P-C4'-P energy: -76.634 tors. eta vs tors. theta energy: -170.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1697.188460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.188460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.188460 (E_RNA) where: Base-Base interactions energy: -1167.446 where: short stacking energy: -525.175 Base-Backbone interact. energy: -3.897 local terms energy: -525.845497 where: bonds (distance) C4'-P energy: -91.299 bonds (distance) P-C4' energy: -81.466 flat angles C4'-P-C4' energy: -135.266 flat angles P-C4'-P energy: -89.926 tors. eta vs tors. theta energy: -127.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1254.576310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.576310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.576310 (E_RNA) where: Base-Base interactions energy: -777.786 where: short stacking energy: -333.310 Base-Backbone interact. energy: 3.882 local terms energy: -480.672402 where: bonds (distance) C4'-P energy: -113.465 bonds (distance) P-C4' energy: -123.707 flat angles C4'-P-C4' energy: -112.055 flat angles P-C4'-P energy: -77.576 tors. eta vs tors. theta energy: -53.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2672.906965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.906965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.906965 (E_RNA) where: Base-Base interactions energy: -1914.857 where: short stacking energy: -754.035 Base-Backbone interact. energy: -0.802 local terms energy: -757.248008 where: bonds (distance) C4'-P energy: -123.672 bonds (distance) P-C4' energy: -133.864 flat angles C4'-P-C4' energy: -168.135 flat angles P-C4'-P energy: -103.209 tors. eta vs tors. theta energy: -228.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2589.341041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.341041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.341041 (E_RNA) where: Base-Base interactions energy: -1860.443 where: short stacking energy: -746.031 Base-Backbone interact. energy: -0.421 local terms energy: -728.477286 where: bonds (distance) C4'-P energy: -132.746 bonds (distance) P-C4' energy: -125.213 flat angles C4'-P-C4' energy: -137.908 flat angles P-C4'-P energy: -112.817 tors. eta vs tors. theta energy: -219.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2519.562960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.562960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.562960 (E_RNA) where: Base-Base interactions energy: -1783.512 where: short stacking energy: -744.240 Base-Backbone interact. energy: -1.548 local terms energy: -734.502584 where: bonds (distance) C4'-P energy: -125.870 bonds (distance) P-C4' energy: -123.210 flat angles C4'-P-C4' energy: -155.899 flat angles P-C4'-P energy: -101.029 tors. eta vs tors. theta energy: -228.494 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: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2437.641603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.641603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.641603 (E_RNA) where: Base-Base interactions energy: -1714.242 where: short stacking energy: -705.712 Base-Backbone interact. energy: -1.126 local terms energy: -722.273353 where: bonds (distance) C4'-P energy: -117.759 bonds (distance) P-C4' energy: -137.053 flat angles C4'-P-C4' energy: -152.449 flat angles P-C4'-P energy: -92.457 tors. eta vs tors. theta energy: -222.556 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: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2326.944245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.944245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.944245 (E_RNA) where: Base-Base interactions energy: -1628.273 where: short stacking energy: -671.761 Base-Backbone interact. energy: -0.894 local terms energy: -697.777920 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -123.325 flat angles C4'-P-C4' energy: -153.926 flat angles P-C4'-P energy: -106.062 tors. eta vs tors. theta energy: -201.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2238.412798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.412798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.412798 (E_RNA) where: Base-Base interactions energy: -1568.591 where: short stacking energy: -632.218 Base-Backbone interact. energy: -0.799 local terms energy: -669.022449 where: bonds (distance) C4'-P energy: -119.111 bonds (distance) P-C4' energy: -129.950 flat angles C4'-P-C4' energy: -143.227 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -187.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2126.541253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.541253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.541253 (E_RNA) where: Base-Base interactions energy: -1489.223 where: short stacking energy: -586.355 Base-Backbone interact. energy: -0.427 local terms energy: -636.890984 where: bonds (distance) C4'-P energy: -123.436 bonds (distance) P-C4' energy: -112.026 flat angles C4'-P-C4' energy: -131.256 flat angles P-C4'-P energy: -91.235 tors. eta vs tors. theta energy: -178.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -2041.395235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.395235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.395235 (E_RNA) where: Base-Base interactions energy: -1460.590 where: short stacking energy: -576.805 Base-Backbone interact. energy: 0.366 local terms energy: -581.170805 where: bonds (distance) C4'-P energy: -96.646 bonds (distance) P-C4' energy: -115.030 flat angles C4'-P-C4' energy: -128.202 flat angles P-C4'-P energy: -78.424 tors. eta vs tors. theta energy: -162.869 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: 9, replica: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1642.465846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.465846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.465846 (E_RNA) where: Base-Base interactions energy: -1123.908 where: short stacking energy: -465.734 Base-Backbone interact. energy: -1.021 local terms energy: -517.537057 where: bonds (distance) C4'-P energy: -92.464 bonds (distance) P-C4' energy: -95.277 flat angles C4'-P-C4' energy: -116.531 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -142.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1145.856458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.856458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.856458 (E_RNA) where: Base-Base interactions energy: -716.016 where: short stacking energy: -322.736 Base-Backbone interact. energy: 1.769 local terms energy: -431.608958 where: bonds (distance) C4'-P energy: -93.489 bonds (distance) P-C4' energy: -110.912 flat angles C4'-P-C4' energy: -95.034 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: -60.423 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: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2701.892795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.892795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.892795 (E_RNA) where: Base-Base interactions energy: -1930.389 where: short stacking energy: -779.220 Base-Backbone interact. energy: -2.368 local terms energy: -769.135504 where: bonds (distance) C4'-P energy: -134.997 bonds (distance) P-C4' energy: -127.805 flat angles C4'-P-C4' energy: -165.292 flat angles P-C4'-P energy: -108.328 tors. eta vs tors. theta energy: -232.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2588.013545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.013545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.013545 (E_RNA) where: Base-Base interactions energy: -1867.936 where: short stacking energy: -747.374 Base-Backbone interact. energy: -0.277 local terms energy: -719.800204 where: bonds (distance) C4'-P energy: -131.000 bonds (distance) P-C4' energy: -132.487 flat angles C4'-P-C4' energy: -142.016 flat angles P-C4'-P energy: -102.196 tors. eta vs tors. theta energy: -212.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2521.472984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.472984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.472984 (E_RNA) where: Base-Base interactions energy: -1797.553 where: short stacking energy: -759.708 Base-Backbone interact. energy: -1.767 local terms energy: -722.153026 where: bonds (distance) C4'-P energy: -124.147 bonds (distance) P-C4' energy: -115.667 flat angles C4'-P-C4' energy: -148.540 flat angles P-C4'-P energy: -99.321 tors. eta vs tors. theta energy: -234.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2414.891291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.891291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.891291 (E_RNA) where: Base-Base interactions energy: -1745.670 where: short stacking energy: -720.383 Base-Backbone interact. energy: -1.983 local terms energy: -667.239133 where: bonds (distance) C4'-P energy: -111.059 bonds (distance) P-C4' energy: -102.643 flat angles C4'-P-C4' energy: -149.277 flat angles P-C4'-P energy: -92.326 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: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2398.207373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.207373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.207373 (E_RNA) where: Base-Base interactions energy: -1716.476 where: short stacking energy: -714.969 Base-Backbone interact. energy: -2.350 local terms energy: -679.381657 where: bonds (distance) C4'-P energy: -112.132 bonds (distance) P-C4' energy: -117.447 flat angles C4'-P-C4' energy: -141.073 flat angles P-C4'-P energy: -101.247 tors. eta vs tors. theta energy: -207.483 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: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2228.917366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.917366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.917366 (E_RNA) where: Base-Base interactions energy: -1584.114 where: short stacking energy: -617.692 Base-Backbone interact. energy: 1.123 local terms energy: -645.925933 where: bonds (distance) C4'-P energy: -119.311 bonds (distance) P-C4' energy: -112.348 flat angles C4'-P-C4' energy: -126.772 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -193.434 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: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2055.575389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.575389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.575389 (E_RNA) where: Base-Base interactions energy: -1449.511 where: short stacking energy: -585.066 Base-Backbone interact. energy: -1.004 local terms energy: -605.061185 where: bonds (distance) C4'-P energy: -105.130 bonds (distance) P-C4' energy: -117.954 flat angles C4'-P-C4' energy: -143.112 flat angles P-C4'-P energy: -86.479 tors. eta vs tors. theta energy: -152.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -2023.373923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.373923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.373923 (E_RNA) where: Base-Base interactions energy: -1447.533 where: short stacking energy: -578.459 Base-Backbone interact. energy: -0.068 local terms energy: -575.773079 where: bonds (distance) C4'-P energy: -114.974 bonds (distance) P-C4' energy: -104.315 flat angles C4'-P-C4' energy: -127.615 flat angles P-C4'-P energy: -74.944 tors. eta vs tors. theta energy: -153.925 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: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1674.407471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.407471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.407471 (E_RNA) where: Base-Base interactions energy: -1149.386 where: short stacking energy: -484.310 Base-Backbone interact. energy: 2.343 local terms energy: -527.364782 where: bonds (distance) C4'-P energy: -99.551 bonds (distance) P-C4' energy: -106.156 flat angles C4'-P-C4' energy: -111.052 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -127.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1159.494866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.494866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.494866 (E_RNA) where: Base-Base interactions energy: -746.687 where: short stacking energy: -329.500 Base-Backbone interact. energy: 0.432 local terms energy: -413.239478 where: bonds (distance) C4'-P energy: -91.843 bonds (distance) P-C4' energy: -94.973 flat angles C4'-P-C4' energy: -116.427 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -51.013 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: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2685.784345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.784345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.784345 (E_RNA) where: Base-Base interactions energy: -1916.683 where: short stacking energy: -752.655 Base-Backbone interact. energy: -3.634 local terms energy: -765.467290 where: bonds (distance) C4'-P energy: -127.514 bonds (distance) P-C4' energy: -135.191 flat angles C4'-P-C4' energy: -158.251 flat angles P-C4'-P energy: -117.579 tors. eta vs tors. theta energy: -226.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2573.389899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.389899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.389899 (E_RNA) where: Base-Base interactions energy: -1832.338 where: short stacking energy: -739.513 Base-Backbone interact. energy: -3.266 local terms energy: -737.786224 where: bonds (distance) C4'-P energy: -127.783 bonds (distance) P-C4' energy: -132.494 flat angles C4'-P-C4' energy: -149.958 flat angles P-C4'-P energy: -106.288 tors. eta vs tors. theta energy: -221.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2536.810425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.810425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.810425 (E_RNA) where: Base-Base interactions energy: -1771.271 where: short stacking energy: -733.319 Base-Backbone interact. energy: -0.614 local terms energy: -764.925197 where: bonds (distance) C4'-P energy: -121.192 bonds (distance) P-C4' energy: -124.623 flat angles C4'-P-C4' energy: -156.664 flat angles P-C4'-P energy: -131.067 tors. eta vs tors. theta energy: -231.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2473.574509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.574509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.574509 (E_RNA) where: Base-Base interactions energy: -1753.899 where: short stacking energy: -713.124 Base-Backbone interact. energy: -0.719 local terms energy: -718.957140 where: bonds (distance) C4'-P energy: -130.335 bonds (distance) P-C4' energy: -130.286 flat angles C4'-P-C4' energy: -144.487 flat angles P-C4'-P energy: -103.821 tors. eta vs tors. theta energy: -210.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2369.484380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.484380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.484380 (E_RNA) where: Base-Base interactions energy: -1672.507 where: short stacking energy: -696.436 Base-Backbone interact. energy: -1.338 local terms energy: -695.639573 where: bonds (distance) C4'-P energy: -121.636 bonds (distance) P-C4' energy: -125.350 flat angles C4'-P-C4' energy: -141.310 flat angles P-C4'-P energy: -98.911 tors. eta vs tors. theta energy: -208.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2257.926193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.926193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.926193 (E_RNA) where: Base-Base interactions energy: -1584.264 where: short stacking energy: -653.288 Base-Backbone interact. energy: -0.932 local terms energy: -672.730831 where: bonds (distance) C4'-P energy: -131.192 bonds (distance) P-C4' energy: -115.510 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -88.334 tors. eta vs tors. theta energy: -196.285 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: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2068.196859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.196859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.196859 (E_RNA) where: Base-Base interactions energy: -1439.455 where: short stacking energy: -587.584 Base-Backbone interact. energy: -1.407 local terms energy: -627.335179 where: bonds (distance) C4'-P energy: -112.140 bonds (distance) P-C4' energy: -136.792 flat angles C4'-P-C4' energy: -128.955 flat angles P-C4'-P energy: -73.970 tors. eta vs tors. theta energy: -175.479 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: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1977.204845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.204845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.204845 (E_RNA) where: Base-Base interactions energy: -1412.760 where: short stacking energy: -569.129 Base-Backbone interact. energy: 2.117 local terms energy: -566.561254 where: bonds (distance) C4'-P energy: -99.616 bonds (distance) P-C4' energy: -93.596 flat angles C4'-P-C4' energy: -120.674 flat angles P-C4'-P energy: -96.890 tors. eta vs tors. theta energy: -155.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1681.082686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.082686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.082686 (E_RNA) where: Base-Base interactions energy: -1146.232 where: short stacking energy: -479.465 Base-Backbone interact. energy: -0.263 local terms energy: -534.588372 where: bonds (distance) C4'-P energy: -94.034 bonds (distance) P-C4' energy: -114.339 flat angles C4'-P-C4' energy: -119.570 flat angles P-C4'-P energy: -69.968 tors. eta vs tors. theta energy: -136.677 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: 357 Temperature: 1.350000 Total energy: -1182.952083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.952083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.952083 (E_RNA) where: Base-Base interactions energy: -761.486 where: short stacking energy: -326.848 Base-Backbone interact. energy: 0.362 local terms energy: -421.828784 where: bonds (distance) C4'-P energy: -98.162 bonds (distance) P-C4' energy: -103.114 flat angles C4'-P-C4' energy: -111.097 flat angles P-C4'-P energy: -62.010 tors. eta vs tors. theta energy: -47.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2686.676078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.676078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.676078 (E_RNA) where: Base-Base interactions energy: -1907.905 where: short stacking energy: -763.840 Base-Backbone interact. energy: -3.074 local terms energy: -775.697073 where: bonds (distance) C4'-P energy: -129.590 bonds (distance) P-C4' energy: -146.338 flat angles C4'-P-C4' energy: -163.001 flat angles P-C4'-P energy: -108.489 tors. eta vs tors. theta energy: -228.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2599.929508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.929508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.929508 (E_RNA) where: Base-Base interactions energy: -1868.326 where: short stacking energy: -756.570 Base-Backbone interact. energy: -5.525 local terms energy: -726.077844 where: bonds (distance) C4'-P energy: -121.671 bonds (distance) P-C4' energy: -114.748 flat angles C4'-P-C4' energy: -151.145 flat angles P-C4'-P energy: -111.292 tors. eta vs tors. theta energy: -227.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2524.995845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.995845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.995845 (E_RNA) where: Base-Base interactions energy: -1808.609 where: short stacking energy: -774.495 Base-Backbone interact. energy: 1.245 local terms energy: -717.631467 where: bonds (distance) C4'-P energy: -117.699 bonds (distance) P-C4' energy: -113.579 flat angles C4'-P-C4' energy: -156.218 flat angles P-C4'-P energy: -99.235 tors. eta vs tors. theta energy: -230.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2429.795578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.795578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.795578 (E_RNA) where: Base-Base interactions energy: -1723.231 where: short stacking energy: -709.733 Base-Backbone interact. energy: -2.954 local terms energy: -703.610798 where: bonds (distance) C4'-P energy: -130.500 bonds (distance) P-C4' energy: -135.332 flat angles C4'-P-C4' energy: -140.679 flat angles P-C4'-P energy: -92.621 tors. eta vs tors. theta energy: -204.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2369.924188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.924188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.924188 (E_RNA) where: Base-Base interactions energy: -1642.407 where: short stacking energy: -700.125 Base-Backbone interact. energy: -1.134 local terms energy: -726.383290 where: bonds (distance) C4'-P energy: -132.024 bonds (distance) P-C4' energy: -130.161 flat angles C4'-P-C4' energy: -154.085 flat angles P-C4'-P energy: -102.220 tors. eta vs tors. theta energy: -207.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2227.914715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.914715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.914715 (E_RNA) where: Base-Base interactions energy: -1556.967 where: short stacking energy: -635.504 Base-Backbone interact. energy: -2.221 local terms energy: -668.726940 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -122.309 flat angles C4'-P-C4' energy: -147.002 flat angles P-C4'-P energy: -95.034 tors. eta vs tors. theta energy: -197.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2103.845732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.845732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.845732 (E_RNA) where: Base-Base interactions energy: -1475.722 where: short stacking energy: -579.503 Base-Backbone interact. energy: -1.081 local terms energy: -627.042671 where: bonds (distance) C4'-P energy: -110.568 bonds (distance) P-C4' energy: -108.597 flat angles C4'-P-C4' energy: -146.397 flat angles P-C4'-P energy: -90.649 tors. eta vs tors. theta energy: -170.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -2020.436063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.436063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.436063 (E_RNA) where: Base-Base interactions energy: -1418.711 where: short stacking energy: -571.940 Base-Backbone interact. energy: -0.595 local terms energy: -601.129710 where: bonds (distance) C4'-P energy: -119.091 bonds (distance) P-C4' energy: -113.485 flat angles C4'-P-C4' energy: -126.444 flat angles P-C4'-P energy: -79.095 tors. eta vs tors. theta energy: -163.015 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: 358 Temperature: 1.300000 Total energy: -1645.559135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.559135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.559135 (E_RNA) where: Base-Base interactions energy: -1119.029 where: short stacking energy: -466.569 Base-Backbone interact. energy: -0.170 local terms energy: -526.360218 where: bonds (distance) C4'-P energy: -95.180 bonds (distance) P-C4' energy: -105.223 flat angles C4'-P-C4' energy: -131.623 flat angles P-C4'-P energy: -72.925 tors. eta vs tors. theta energy: -121.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1064.734488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.734488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.734488 (E_RNA) where: Base-Base interactions energy: -652.174 where: short stacking energy: -313.257 Base-Backbone interact. energy: -0.052 local terms energy: -412.508399 where: bonds (distance) C4'-P energy: -108.831 bonds (distance) P-C4' energy: -116.091 flat angles C4'-P-C4' energy: -106.613 flat angles P-C4'-P energy: -47.657 tors. eta vs tors. theta energy: -33.317 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: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2661.101262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.101262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.101262 (E_RNA) where: Base-Base interactions energy: -1893.256 where: short stacking energy: -761.592 Base-Backbone interact. energy: -2.373 local terms energy: -765.472359 where: bonds (distance) C4'-P energy: -143.233 bonds (distance) P-C4' energy: -131.322 flat angles C4'-P-C4' energy: -161.796 flat angles P-C4'-P energy: -98.273 tors. eta vs tors. theta energy: -230.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2578.297133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.297133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.297133 (E_RNA) where: Base-Base interactions energy: -1824.019 where: short stacking energy: -753.755 Base-Backbone interact. energy: 0.910 local terms energy: -755.187757 where: bonds (distance) C4'-P energy: -140.941 bonds (distance) P-C4' energy: -131.967 flat angles C4'-P-C4' energy: -165.433 flat angles P-C4'-P energy: -103.745 tors. eta vs tors. theta energy: -213.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2568.520275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.520275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.520275 (E_RNA) where: Base-Base interactions energy: -1799.248 where: short stacking energy: -757.204 Base-Backbone interact. energy: -2.103 local terms energy: -767.169414 where: bonds (distance) C4'-P energy: -131.830 bonds (distance) P-C4' energy: -124.648 flat angles C4'-P-C4' energy: -164.399 flat angles P-C4'-P energy: -109.446 tors. eta vs tors. theta energy: -236.846 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: 359 Temperature: 1.050000 Total energy: -2398.241684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.241684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.241684 (E_RNA) where: Base-Base interactions energy: -1694.279 where: short stacking energy: -688.324 Base-Backbone interact. energy: -2.397 local terms energy: -701.565329 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -134.444 flat angles C4'-P-C4' energy: -136.620 flat angles P-C4'-P energy: -106.011 tors. eta vs tors. theta energy: -210.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2381.718120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.718120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.718120 (E_RNA) where: Base-Base interactions energy: -1681.439 where: short stacking energy: -698.338 Base-Backbone interact. energy: -1.210 local terms energy: -699.068957 where: bonds (distance) C4'-P energy: -115.672 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -142.479 flat angles P-C4'-P energy: -96.342 tors. eta vs tors. theta energy: -218.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2153.132120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.132120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.132120 (E_RNA) where: Base-Base interactions energy: -1506.975 where: short stacking energy: -617.876 Base-Backbone interact. energy: 2.576 local terms energy: -648.733442 where: bonds (distance) C4'-P energy: -109.516 bonds (distance) P-C4' energy: -113.583 flat angles C4'-P-C4' energy: -151.592 flat angles P-C4'-P energy: -84.114 tors. eta vs tors. theta energy: -189.929 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: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2156.771266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.771266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.771266 (E_RNA) where: Base-Base interactions energy: -1533.988 where: short stacking energy: -613.792 Base-Backbone interact. energy: -1.768 local terms energy: -621.015599 where: bonds (distance) C4'-P energy: -109.111 bonds (distance) P-C4' energy: -124.761 flat angles C4'-P-C4' energy: -140.197 flat angles P-C4'-P energy: -69.897 tors. eta vs tors. theta energy: -177.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -2049.930337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.930337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.930337 (E_RNA) where: Base-Base interactions energy: -1456.726 where: short stacking energy: -574.555 Base-Backbone interact. energy: -1.298 local terms energy: -591.906933 where: bonds (distance) C4'-P energy: -106.930 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -122.102 flat angles P-C4'-P energy: -93.206 tors. eta vs tors. theta energy: -167.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1613.997390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.997390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.997390 (E_RNA) where: Base-Base interactions energy: -1107.064 where: short stacking energy: -452.445 Base-Backbone interact. energy: 4.853 local terms energy: -511.786262 where: bonds (distance) C4'-P energy: -97.999 bonds (distance) P-C4' energy: -111.239 flat angles C4'-P-C4' energy: -115.406 flat angles P-C4'-P energy: -68.220 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: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1120.020466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.020466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.020466 (E_RNA) where: Base-Base interactions energy: -705.098 where: short stacking energy: -311.278 Base-Backbone interact. energy: 2.660 local terms energy: -417.582394 where: bonds (distance) C4'-P energy: -103.656 bonds (distance) P-C4' energy: -115.884 flat angles C4'-P-C4' energy: -90.894 flat angles P-C4'-P energy: -55.011 tors. eta vs tors. theta energy: -52.138 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: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2674.497976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.497976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.497976 (E_RNA) where: Base-Base interactions energy: -1920.803 where: short stacking energy: -782.950 Base-Backbone interact. energy: -6.081 local terms energy: -747.613585 where: bonds (distance) C4'-P energy: -123.113 bonds (distance) P-C4' energy: -135.866 flat angles C4'-P-C4' energy: -158.016 flat angles P-C4'-P energy: -101.531 tors. eta vs tors. theta energy: -229.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2600.710470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.710470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.710470 (E_RNA) where: Base-Base interactions energy: -1878.130 where: short stacking energy: -767.672 Base-Backbone interact. energy: 1.399 local terms energy: -723.979868 where: bonds (distance) C4'-P energy: -116.212 bonds (distance) P-C4' energy: -132.989 flat angles C4'-P-C4' energy: -147.235 flat angles P-C4'-P energy: -100.076 tors. eta vs tors. theta energy: -227.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2528.420093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.420093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.420093 (E_RNA) where: Base-Base interactions energy: -1776.624 where: short stacking energy: -730.392 Base-Backbone interact. energy: -1.895 local terms energy: -749.900739 where: bonds (distance) C4'-P energy: -131.065 bonds (distance) P-C4' energy: -121.702 flat angles C4'-P-C4' energy: -165.275 flat angles P-C4'-P energy: -98.241 tors. eta vs tors. theta energy: -233.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2404.926949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.926949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.926949 (E_RNA) where: Base-Base interactions energy: -1701.574 where: short stacking energy: -687.387 Base-Backbone interact. energy: 0.089 local terms energy: -703.441764 where: bonds (distance) C4'-P energy: -119.947 bonds (distance) P-C4' energy: -149.789 flat angles C4'-P-C4' energy: -134.011 flat angles P-C4'-P energy: -100.737 tors. eta vs tors. theta energy: -198.958 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: 360 Temperature: 1.100000 Total energy: -2383.188872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.188872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.188872 (E_RNA) where: Base-Base interactions energy: -1715.029 where: short stacking energy: -697.761 Base-Backbone interact. energy: -0.832 local terms energy: -667.328231 where: bonds (distance) C4'-P energy: -102.326 bonds (distance) P-C4' energy: -108.809 flat angles C4'-P-C4' energy: -146.165 flat angles P-C4'-P energy: -105.501 tors. eta vs tors. theta energy: -204.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2189.666179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.666179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.666179 (E_RNA) where: Base-Base interactions energy: -1545.131 where: short stacking energy: -629.334 Base-Backbone interact. energy: -1.677 local terms energy: -642.857510 where: bonds (distance) C4'-P energy: -112.041 bonds (distance) P-C4' energy: -118.840 flat angles C4'-P-C4' energy: -130.328 flat angles P-C4'-P energy: -98.945 tors. eta vs tors. theta energy: -182.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2129.010980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.010980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.010980 (E_RNA) where: Base-Base interactions energy: -1505.761 where: short stacking energy: -628.493 Base-Backbone interact. energy: -1.976 local terms energy: -621.273548 where: bonds (distance) C4'-P energy: -108.820 bonds (distance) P-C4' energy: -108.832 flat angles C4'-P-C4' energy: -132.932 flat angles P-C4'-P energy: -88.727 tors. eta vs tors. theta energy: -181.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -2085.679538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.679538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.679538 (E_RNA) where: Base-Base interactions energy: -1483.126 where: short stacking energy: -594.179 Base-Backbone interact. energy: -2.363 local terms energy: -600.190479 where: bonds (distance) C4'-P energy: -98.562 bonds (distance) P-C4' energy: -107.598 flat angles C4'-P-C4' energy: -138.580 flat angles P-C4'-P energy: -83.839 tors. eta vs tors. theta energy: -171.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1556.903035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.903035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.903035 (E_RNA) where: Base-Base interactions energy: -1076.763 where: short stacking energy: -443.251 Base-Backbone interact. energy: -0.369 local terms energy: -479.770660 where: bonds (distance) C4'-P energy: -100.203 bonds (distance) P-C4' energy: -101.190 flat angles C4'-P-C4' energy: -107.434 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -105.063 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: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1057.387999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.387999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.387999 (E_RNA) where: Base-Base interactions energy: -613.321 where: short stacking energy: -289.745 Base-Backbone interact. energy: 6.892 local terms energy: -450.958512 where: bonds (distance) C4'-P energy: -101.621 bonds (distance) P-C4' energy: -120.504 flat angles C4'-P-C4' energy: -124.227 flat angles P-C4'-P energy: -63.081 tors. eta vs tors. theta energy: -41.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2683.147841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.147841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.147841 (E_RNA) where: Base-Base interactions energy: -1911.119 where: short stacking energy: -775.805 Base-Backbone interact. energy: -1.103 local terms energy: -770.925812 where: bonds (distance) C4'-P energy: -116.263 bonds (distance) P-C4' energy: -134.885 flat angles C4'-P-C4' energy: -161.402 flat angles P-C4'-P energy: -123.583 tors. eta vs tors. theta energy: -234.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2623.456831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.456831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.456831 (E_RNA) where: Base-Base interactions energy: -1875.386 where: short stacking energy: -775.783 Base-Backbone interact. energy: -0.387 local terms energy: -747.683358 where: bonds (distance) C4'-P energy: -136.611 bonds (distance) P-C4' energy: -144.761 flat angles C4'-P-C4' energy: -147.451 flat angles P-C4'-P energy: -97.791 tors. eta vs tors. theta energy: -221.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2533.552550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.552550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.552550 (E_RNA) where: Base-Base interactions energy: -1773.587 where: short stacking energy: -736.363 Base-Backbone interact. energy: -0.460 local terms energy: -759.506151 where: bonds (distance) C4'-P energy: -142.112 bonds (distance) P-C4' energy: -128.399 flat angles C4'-P-C4' energy: -164.966 flat angles P-C4'-P energy: -90.011 tors. eta vs tors. theta energy: -234.018 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: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2390.247449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.247449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.247449 (E_RNA) where: Base-Base interactions energy: -1723.740 where: short stacking energy: -673.954 Base-Backbone interact. energy: -5.178 local terms energy: -661.329032 where: bonds (distance) C4'-P energy: -100.506 bonds (distance) P-C4' energy: -122.391 flat angles C4'-P-C4' energy: -155.948 flat angles P-C4'-P energy: -87.566 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: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2396.853037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.853037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.853037 (E_RNA) where: Base-Base interactions energy: -1708.886 where: short stacking energy: -682.797 Base-Backbone interact. energy: 0.790 local terms energy: -688.757284 where: bonds (distance) C4'-P energy: -118.025 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -136.893 flat angles P-C4'-P energy: -97.075 tors. eta vs tors. theta energy: -216.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2224.983001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.983001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.983001 (E_RNA) where: Base-Base interactions energy: -1583.613 where: short stacking energy: -652.944 Base-Backbone interact. energy: 2.444 local terms energy: -643.813491 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -111.848 flat angles C4'-P-C4' energy: -140.517 flat angles P-C4'-P energy: -94.233 tors. eta vs tors. theta energy: -184.150 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: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2172.910767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.910767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.910767 (E_RNA) where: Base-Base interactions energy: -1519.604 where: short stacking energy: -614.766 Base-Backbone interact. energy: 0.485 local terms energy: -653.792179 where: bonds (distance) C4'-P energy: -107.911 bonds (distance) P-C4' energy: -133.496 flat angles C4'-P-C4' energy: -133.176 flat angles P-C4'-P energy: -93.366 tors. eta vs tors. theta energy: -185.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -2058.801437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.801437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.801437 (E_RNA) where: Base-Base interactions energy: -1439.388 where: short stacking energy: -579.448 Base-Backbone interact. energy: -0.588 local terms energy: -618.825449 where: bonds (distance) C4'-P energy: -127.660 bonds (distance) P-C4' energy: -102.759 flat angles C4'-P-C4' energy: -137.440 flat angles P-C4'-P energy: -85.027 tors. eta vs tors. theta energy: -165.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1638.623363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.623363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.623363 (E_RNA) where: Base-Base interactions energy: -1106.074 where: short stacking energy: -490.631 Base-Backbone interact. energy: 5.121 local terms energy: -537.670698 where: bonds (distance) C4'-P energy: -91.136 bonds (distance) P-C4' energy: -107.545 flat angles C4'-P-C4' energy: -117.735 flat angles P-C4'-P energy: -67.623 tors. eta vs tors. theta energy: -153.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1059.760814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.760814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.760814 (E_RNA) where: Base-Base interactions energy: -632.316 where: short stacking energy: -288.303 Base-Backbone interact. energy: 2.696 local terms energy: -430.140405 where: bonds (distance) C4'-P energy: -107.819 bonds (distance) P-C4' energy: -117.040 flat angles C4'-P-C4' energy: -97.921 flat angles P-C4'-P energy: -63.836 tors. eta vs tors. theta energy: -43.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2675.397156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.397156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.397156 (E_RNA) where: Base-Base interactions energy: -1896.228 where: short stacking energy: -779.066 Base-Backbone interact. energy: -3.462 local terms energy: -775.707407 where: bonds (distance) C4'-P energy: -137.283 bonds (distance) P-C4' energy: -138.061 flat angles C4'-P-C4' energy: -161.735 flat angles P-C4'-P energy: -108.874 tors. eta vs tors. theta energy: -229.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2586.857039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.857039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.857039 (E_RNA) where: Base-Base interactions energy: -1819.585 where: short stacking energy: -747.592 Base-Backbone interact. energy: -1.710 local terms energy: -765.561823 where: bonds (distance) C4'-P energy: -141.332 bonds (distance) P-C4' energy: -130.456 flat angles C4'-P-C4' energy: -154.708 flat angles P-C4'-P energy: -113.688 tors. eta vs tors. theta energy: -225.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2541.606723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.606723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.606723 (E_RNA) where: Base-Base interactions energy: -1785.689 where: short stacking energy: -745.012 Base-Backbone interact. energy: -1.353 local terms energy: -754.564945 where: bonds (distance) C4'-P energy: -126.008 bonds (distance) P-C4' energy: -128.835 flat angles C4'-P-C4' energy: -161.174 flat angles P-C4'-P energy: -108.557 tors. eta vs tors. theta energy: -229.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2401.444586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.444586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.444586 (E_RNA) where: Base-Base interactions energy: -1732.333 where: short stacking energy: -692.198 Base-Backbone interact. energy: 1.238 local terms energy: -670.350389 where: bonds (distance) C4'-P energy: -106.856 bonds (distance) P-C4' energy: -130.562 flat angles C4'-P-C4' energy: -139.075 flat angles P-C4'-P energy: -84.830 tors. eta vs tors. theta energy: -209.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2419.212768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.212768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.212768 (E_RNA) where: Base-Base interactions energy: -1722.266 where: short stacking energy: -699.271 Base-Backbone interact. energy: 0.415 local terms energy: -697.361196 where: bonds (distance) C4'-P energy: -119.324 bonds (distance) P-C4' energy: -117.785 flat angles C4'-P-C4' energy: -142.150 flat angles P-C4'-P energy: -98.852 tors. eta vs tors. theta energy: -219.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2218.412647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.412647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.412647 (E_RNA) where: Base-Base interactions energy: -1568.979 where: short stacking energy: -660.929 Base-Backbone interact. energy: -1.275 local terms energy: -648.158617 where: bonds (distance) C4'-P energy: -104.301 bonds (distance) P-C4' energy: -123.260 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -88.116 tors. eta vs tors. theta energy: -192.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2152.280411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.280411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.280411 (E_RNA) where: Base-Base interactions energy: -1535.037 where: short stacking energy: -617.588 Base-Backbone interact. energy: -1.703 local terms energy: -615.540903 where: bonds (distance) C4'-P energy: -110.397 bonds (distance) P-C4' energy: -108.136 flat angles C4'-P-C4' energy: -117.920 flat angles P-C4'-P energy: -97.951 tors. eta vs tors. theta energy: -181.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -2135.816727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.816727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.816727 (E_RNA) where: Base-Base interactions energy: -1506.845 where: short stacking energy: -589.278 Base-Backbone interact. energy: -1.321 local terms energy: -627.650399 where: bonds (distance) C4'-P energy: -118.944 bonds (distance) P-C4' energy: -108.818 flat angles C4'-P-C4' energy: -128.331 flat angles P-C4'-P energy: -88.163 tors. eta vs tors. theta energy: -183.395 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: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1629.981017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.981017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.981017 (E_RNA) where: Base-Base interactions energy: -1100.094 where: short stacking energy: -457.256 Base-Backbone interact. energy: 4.818 local terms energy: -534.704770 where: bonds (distance) C4'-P energy: -116.252 bonds (distance) P-C4' energy: -100.652 flat angles C4'-P-C4' energy: -128.676 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -121.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1069.435246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.435246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.435246 (E_RNA) where: Base-Base interactions energy: -636.702 where: short stacking energy: -282.947 Base-Backbone interact. energy: -2.915 local terms energy: -429.817996 where: bonds (distance) C4'-P energy: -100.093 bonds (distance) P-C4' energy: -109.471 flat angles C4'-P-C4' energy: -101.363 flat angles P-C4'-P energy: -76.325 tors. eta vs tors. theta energy: -42.566 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: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2679.945266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.945266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.945266 (E_RNA) where: Base-Base interactions energy: -1898.536 where: short stacking energy: -770.049 Base-Backbone interact. energy: -1.432 local terms energy: -779.977117 where: bonds (distance) C4'-P energy: -120.681 bonds (distance) P-C4' energy: -138.563 flat angles C4'-P-C4' energy: -159.840 flat angles P-C4'-P energy: -120.735 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: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2567.742215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.742215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.742215 (E_RNA) where: Base-Base interactions energy: -1809.064 where: short stacking energy: -746.351 Base-Backbone interact. energy: -1.470 local terms energy: -757.207894 where: bonds (distance) C4'-P energy: -141.107 bonds (distance) P-C4' energy: -137.576 flat angles C4'-P-C4' energy: -152.254 flat angles P-C4'-P energy: -88.781 tors. eta vs tors. theta energy: -237.489 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: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2532.754029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.754029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.754029 (E_RNA) where: Base-Base interactions energy: -1803.286 where: short stacking energy: -729.421 Base-Backbone interact. energy: -1.998 local terms energy: -727.469672 where: bonds (distance) C4'-P energy: -116.451 bonds (distance) P-C4' energy: -141.341 flat angles C4'-P-C4' energy: -152.826 flat angles P-C4'-P energy: -103.875 tors. eta vs tors. theta energy: -212.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2392.693368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.693368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.693368 (E_RNA) where: Base-Base interactions energy: -1692.473 where: short stacking energy: -680.089 Base-Backbone interact. energy: 0.487 local terms energy: -700.707027 where: bonds (distance) C4'-P energy: -97.178 bonds (distance) P-C4' energy: -148.278 flat angles C4'-P-C4' energy: -155.547 flat angles P-C4'-P energy: -101.466 tors. eta vs tors. theta energy: -198.237 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: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2379.584858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.584858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.584858 (E_RNA) where: Base-Base interactions energy: -1678.907 where: short stacking energy: -680.499 Base-Backbone interact. energy: -1.733 local terms energy: -698.944943 where: bonds (distance) C4'-P energy: -117.660 bonds (distance) P-C4' energy: -135.566 flat angles C4'-P-C4' energy: -126.270 flat angles P-C4'-P energy: -108.052 tors. eta vs tors. theta energy: -211.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2196.595742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.595742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.595742 (E_RNA) where: Base-Base interactions energy: -1526.267 where: short stacking energy: -611.791 Base-Backbone interact. energy: -0.565 local terms energy: -669.763594 where: bonds (distance) C4'-P energy: -123.427 bonds (distance) P-C4' energy: -121.397 flat angles C4'-P-C4' energy: -140.136 flat angles P-C4'-P energy: -93.316 tors. eta vs tors. theta energy: -191.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2124.753051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.753051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.753051 (E_RNA) where: Base-Base interactions energy: -1512.682 where: short stacking energy: -606.256 Base-Backbone interact. energy: -0.144 local terms energy: -611.927720 where: bonds (distance) C4'-P energy: -101.960 bonds (distance) P-C4' energy: -110.751 flat angles C4'-P-C4' energy: -136.963 flat angles P-C4'-P energy: -89.647 tors. eta vs tors. theta energy: -172.607 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: 8 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2034.438143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.438143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.438143 (E_RNA) where: Base-Base interactions energy: -1417.347 where: short stacking energy: -551.464 Base-Backbone interact. energy: 0.694 local terms energy: -617.784414 where: bonds (distance) C4'-P energy: -107.377 bonds (distance) P-C4' energy: -125.351 flat angles C4'-P-C4' energy: -133.484 flat angles P-C4'-P energy: -89.014 tors. eta vs tors. theta energy: -162.559 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: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1658.827591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.827591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.827591 (E_RNA) where: Base-Base interactions energy: -1113.497 where: short stacking energy: -448.308 Base-Backbone interact. energy: 1.101 local terms energy: -546.431095 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -105.213 flat angles C4'-P-C4' energy: -111.089 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -131.889 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: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1054.936156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.936156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.936156 (E_RNA) where: Base-Base interactions energy: -649.146 where: short stacking energy: -290.971 Base-Backbone interact. energy: -0.711 local terms energy: -405.079159 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -119.171 flat angles C4'-P-C4' energy: -105.822 flat angles P-C4'-P energy: -58.168 tors. eta vs tors. theta energy: -30.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2711.722303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.722303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.722303 (E_RNA) where: Base-Base interactions energy: -1928.943 where: short stacking energy: -809.475 Base-Backbone interact. energy: -0.715 local terms energy: -782.064013 where: bonds (distance) C4'-P energy: -129.239 bonds (distance) P-C4' energy: -141.758 flat angles C4'-P-C4' energy: -159.608 flat angles P-C4'-P energy: -113.154 tors. eta vs tors. theta energy: -238.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2576.699461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.699461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.699461 (E_RNA) where: Base-Base interactions energy: -1793.436 where: short stacking energy: -745.273 Base-Backbone interact. energy: -1.596 local terms energy: -781.666889 where: bonds (distance) C4'-P energy: -127.732 bonds (distance) P-C4' energy: -129.098 flat angles C4'-P-C4' energy: -168.553 flat angles P-C4'-P energy: -115.350 tors. eta vs tors. theta energy: -240.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2482.735967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.735967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.735967 (E_RNA) where: Base-Base interactions energy: -1790.812 where: short stacking energy: -707.769 Base-Backbone interact. energy: -2.088 local terms energy: -689.836044 where: bonds (distance) C4'-P energy: -108.361 bonds (distance) P-C4' energy: -118.920 flat angles C4'-P-C4' energy: -146.472 flat angles P-C4'-P energy: -106.901 tors. eta vs tors. theta energy: -209.182 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: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2401.964485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.964485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.964485 (E_RNA) where: Base-Base interactions energy: -1707.359 where: short stacking energy: -696.141 Base-Backbone interact. energy: 0.138 local terms energy: -694.743124 where: bonds (distance) C4'-P energy: -130.202 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -133.538 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -207.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2397.111592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.111592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.111592 (E_RNA) where: Base-Base interactions energy: -1708.346 where: short stacking energy: -701.854 Base-Backbone interact. energy: -2.614 local terms energy: -686.151604 where: bonds (distance) C4'-P energy: -109.164 bonds (distance) P-C4' energy: -124.288 flat angles C4'-P-C4' energy: -132.724 flat angles P-C4'-P energy: -101.251 tors. eta vs tors. theta energy: -218.725 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: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2191.730410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.730410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.730410 (E_RNA) where: Base-Base interactions energy: -1547.391 where: short stacking energy: -644.403 Base-Backbone interact. energy: -1.006 local terms energy: -643.333461 where: bonds (distance) C4'-P energy: -128.363 bonds (distance) P-C4' energy: -104.646 flat angles C4'-P-C4' energy: -137.238 flat angles P-C4'-P energy: -86.933 tors. eta vs tors. theta energy: -186.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2117.511704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.511704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.511704 (E_RNA) where: Base-Base interactions energy: -1479.874 where: short stacking energy: -607.784 Base-Backbone interact. energy: -2.675 local terms energy: -634.962563 where: bonds (distance) C4'-P energy: -110.961 bonds (distance) P-C4' energy: -127.436 flat angles C4'-P-C4' energy: -131.039 flat angles P-C4'-P energy: -87.524 tors. eta vs tors. theta energy: -178.003 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: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2000.565829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.565829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.565829 (E_RNA) where: Base-Base interactions energy: -1410.323 where: short stacking energy: -576.728 Base-Backbone interact. energy: -1.353 local terms energy: -588.889791 where: bonds (distance) C4'-P energy: -107.376 bonds (distance) P-C4' energy: -107.223 flat angles C4'-P-C4' energy: -126.768 flat angles P-C4'-P energy: -90.050 tors. eta vs tors. theta energy: -157.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1679.446583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.446583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.446583 (E_RNA) where: Base-Base interactions energy: -1138.335 where: short stacking energy: -484.863 Base-Backbone interact. energy: 1.824 local terms energy: -542.935799 where: bonds (distance) C4'-P energy: -96.807 bonds (distance) P-C4' energy: -113.821 flat angles C4'-P-C4' energy: -132.172 flat angles P-C4'-P energy: -78.088 tors. eta vs tors. theta energy: -122.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1067.574861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.574861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.574861 (E_RNA) where: Base-Base interactions energy: -685.408 where: short stacking energy: -306.363 Base-Backbone interact. energy: 4.499 local terms energy: -386.666492 where: bonds (distance) C4'-P energy: -87.650 bonds (distance) P-C4' energy: -112.638 flat angles C4'-P-C4' energy: -101.696 flat angles P-C4'-P energy: -56.202 tors. eta vs tors. theta energy: -28.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2709.483607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.483607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.483607 (E_RNA) where: Base-Base interactions energy: -1928.830 where: short stacking energy: -775.740 Base-Backbone interact. energy: -1.419 local terms energy: -779.234320 where: bonds (distance) C4'-P energy: -137.882 bonds (distance) P-C4' energy: -140.299 flat angles C4'-P-C4' energy: -164.518 flat angles P-C4'-P energy: -99.222 tors. eta vs tors. theta energy: -237.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2572.182634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.182634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.182634 (E_RNA) where: Base-Base interactions energy: -1816.368 where: short stacking energy: -742.740 Base-Backbone interact. energy: -2.224 local terms energy: -753.590074 where: bonds (distance) C4'-P energy: -126.903 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -163.491 flat angles P-C4'-P energy: -99.727 tors. eta vs tors. theta energy: -239.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2516.864546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.864546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.864546 (E_RNA) where: Base-Base interactions energy: -1791.653 where: short stacking energy: -729.217 Base-Backbone interact. energy: -2.787 local terms energy: -722.424750 where: bonds (distance) C4'-P energy: -124.590 bonds (distance) P-C4' energy: -130.231 flat angles C4'-P-C4' energy: -151.243 flat angles P-C4'-P energy: -97.476 tors. eta vs tors. theta energy: -218.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2400.309443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.309443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.309443 (E_RNA) where: Base-Base interactions energy: -1719.876 where: short stacking energy: -707.584 Base-Backbone interact. energy: -1.804 local terms energy: -678.628651 where: bonds (distance) C4'-P energy: -118.296 bonds (distance) P-C4' energy: -116.953 flat angles C4'-P-C4' energy: -146.177 flat angles P-C4'-P energy: -96.704 tors. eta vs tors. theta energy: -200.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2374.260909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.260909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.260909 (E_RNA) where: Base-Base interactions energy: -1680.546 where: short stacking energy: -669.566 Base-Backbone interact. energy: -4.357 local terms energy: -689.358210 where: bonds (distance) C4'-P energy: -107.456 bonds (distance) P-C4' energy: -135.458 flat angles C4'-P-C4' energy: -151.484 flat angles P-C4'-P energy: -87.664 tors. eta vs tors. theta energy: -207.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2241.192840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.192840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.192840 (E_RNA) where: Base-Base interactions energy: -1576.625 where: short stacking energy: -635.079 Base-Backbone interact. energy: -2.024 local terms energy: -662.544220 where: bonds (distance) C4'-P energy: -111.876 bonds (distance) P-C4' energy: -119.017 flat angles C4'-P-C4' energy: -144.782 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -194.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2107.443698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.443698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.443698 (E_RNA) where: Base-Base interactions energy: -1485.005 where: short stacking energy: -594.228 Base-Backbone interact. energy: 0.200 local terms energy: -622.639438 where: bonds (distance) C4'-P energy: -123.249 bonds (distance) P-C4' energy: -102.329 flat angles C4'-P-C4' energy: -134.988 flat angles P-C4'-P energy: -86.720 tors. eta vs tors. theta energy: -175.354 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: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2050.982257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.982257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.982257 (E_RNA) where: Base-Base interactions energy: -1456.742 where: short stacking energy: -590.658 Base-Backbone interact. energy: -5.097 local terms energy: -589.142885 where: bonds (distance) C4'-P energy: -122.408 bonds (distance) P-C4' energy: -102.185 flat angles C4'-P-C4' energy: -131.350 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -169.929 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: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1671.455238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.455238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.455238 (E_RNA) where: Base-Base interactions energy: -1171.711 where: short stacking energy: -494.092 Base-Backbone interact. energy: -0.812 local terms energy: -498.932137 where: bonds (distance) C4'-P energy: -81.383 bonds (distance) P-C4' energy: -116.044 flat angles C4'-P-C4' energy: -110.435 flat angles P-C4'-P energy: -67.303 tors. eta vs tors. theta energy: -123.767 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: 365 Temperature: 1.350000 Total energy: -1105.112217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.112217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.112217 (E_RNA) where: Base-Base interactions energy: -662.331 where: short stacking energy: -305.523 Base-Backbone interact. energy: -3.084 local terms energy: -439.697315 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -113.684 flat angles C4'-P-C4' energy: -81.429 flat angles P-C4'-P energy: -75.211 tors. eta vs tors. theta energy: -44.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2663.213797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.213797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.213797 (E_RNA) where: Base-Base interactions energy: -1934.130 where: short stacking energy: -776.823 Base-Backbone interact. energy: -1.642 local terms energy: -727.441590 where: bonds (distance) C4'-P energy: -119.182 bonds (distance) P-C4' energy: -135.039 flat angles C4'-P-C4' energy: -145.466 flat angles P-C4'-P energy: -97.070 tors. eta vs tors. theta energy: -230.684 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: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2584.186919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.186919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.186919 (E_RNA) where: Base-Base interactions energy: -1832.359 where: short stacking energy: -762.030 Base-Backbone interact. energy: -1.483 local terms energy: -750.345299 where: bonds (distance) C4'-P energy: -129.195 bonds (distance) P-C4' energy: -131.469 flat angles C4'-P-C4' energy: -151.105 flat angles P-C4'-P energy: -106.781 tors. eta vs tors. theta energy: -231.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2504.373644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.373644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.373644 (E_RNA) where: Base-Base interactions energy: -1822.302 where: short stacking energy: -756.493 Base-Backbone interact. energy: 0.260 local terms energy: -682.331599 where: bonds (distance) C4'-P energy: -114.707 bonds (distance) P-C4' energy: -134.682 flat angles C4'-P-C4' energy: -127.910 flat angles P-C4'-P energy: -85.394 tors. eta vs tors. theta energy: -219.639 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: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2373.637357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.637357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.637357 (E_RNA) where: Base-Base interactions energy: -1685.142 where: short stacking energy: -685.581 Base-Backbone interact. energy: -2.250 local terms energy: -686.245534 where: bonds (distance) C4'-P energy: -115.707 bonds (distance) P-C4' energy: -113.549 flat angles C4'-P-C4' energy: -152.220 flat angles P-C4'-P energy: -103.476 tors. eta vs tors. theta energy: -201.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2353.984615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.984615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.984615 (E_RNA) where: Base-Base interactions energy: -1651.653 where: short stacking energy: -673.349 Base-Backbone interact. energy: 0.212 local terms energy: -702.543912 where: bonds (distance) C4'-P energy: -118.465 bonds (distance) P-C4' energy: -131.232 flat angles C4'-P-C4' energy: -134.500 flat angles P-C4'-P energy: -101.087 tors. eta vs tors. theta energy: -217.260 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: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2226.990621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.990621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.990621 (E_RNA) where: Base-Base interactions energy: -1584.875 where: short stacking energy: -626.413 Base-Backbone interact. energy: -2.259 local terms energy: -639.856735 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -113.347 flat angles C4'-P-C4' energy: -134.872 flat angles P-C4'-P energy: -77.731 tors. eta vs tors. theta energy: -200.314 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: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2184.392300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.392300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.392300 (E_RNA) where: Base-Base interactions energy: -1574.774 where: short stacking energy: -627.704 Base-Backbone interact. energy: -2.326 local terms energy: -607.292645 where: bonds (distance) C4'-P energy: -105.985 bonds (distance) P-C4' energy: -103.329 flat angles C4'-P-C4' energy: -138.390 flat angles P-C4'-P energy: -79.133 tors. eta vs tors. theta energy: -180.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1989.955878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.955878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.955878 (E_RNA) where: Base-Base interactions energy: -1415.626 where: short stacking energy: -564.221 Base-Backbone interact. energy: -5.406 local terms energy: -568.923519 where: bonds (distance) C4'-P energy: -113.478 bonds (distance) P-C4' energy: -117.017 flat angles C4'-P-C4' energy: -105.999 flat angles P-C4'-P energy: -78.158 tors. eta vs tors. theta energy: -154.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1687.553161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.553161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.553161 (E_RNA) where: Base-Base interactions energy: -1150.099 where: short stacking energy: -481.985 Base-Backbone interact. energy: -2.432 local terms energy: -535.022849 where: bonds (distance) C4'-P energy: -107.027 bonds (distance) P-C4' energy: -118.957 flat angles C4'-P-C4' energy: -128.961 flat angles P-C4'-P energy: -56.712 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: 10, replica: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1026.397215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.397215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.397215 (E_RNA) where: Base-Base interactions energy: -605.100 where: short stacking energy: -287.324 Base-Backbone interact. energy: 0.633 local terms energy: -421.930810 where: bonds (distance) C4'-P energy: -107.845 bonds (distance) P-C4' energy: -108.722 flat angles C4'-P-C4' energy: -101.393 flat angles P-C4'-P energy: -71.716 tors. eta vs tors. theta energy: -32.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2666.039399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.039399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.039399 (E_RNA) where: Base-Base interactions energy: -1892.405 where: short stacking energy: -752.291 Base-Backbone interact. energy: -3.206 local terms energy: -770.428823 where: bonds (distance) C4'-P energy: -133.023 bonds (distance) P-C4' energy: -141.129 flat angles C4'-P-C4' energy: -155.743 flat angles P-C4'-P energy: -108.086 tors. eta vs tors. theta energy: -232.448 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: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2574.870641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.870641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.870641 (E_RNA) where: Base-Base interactions energy: -1845.751 where: short stacking energy: -771.598 Base-Backbone interact. energy: -1.982 local terms energy: -727.137603 where: bonds (distance) C4'-P energy: -117.153 bonds (distance) P-C4' energy: -131.772 flat angles C4'-P-C4' energy: -150.086 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -229.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2505.573001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.573001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.573001 (E_RNA) where: Base-Base interactions energy: -1792.524 where: short stacking energy: -737.937 Base-Backbone interact. energy: -1.230 local terms energy: -711.819431 where: bonds (distance) C4'-P energy: -117.531 bonds (distance) P-C4' energy: -120.294 flat angles C4'-P-C4' energy: -155.142 flat angles P-C4'-P energy: -104.119 tors. eta vs tors. theta energy: -214.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2373.345738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.345738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.345738 (E_RNA) where: Base-Base interactions energy: -1684.393 where: short stacking energy: -689.636 Base-Backbone interact. energy: 2.310 local terms energy: -691.262200 where: bonds (distance) C4'-P energy: -116.718 bonds (distance) P-C4' energy: -120.833 flat angles C4'-P-C4' energy: -131.066 flat angles P-C4'-P energy: -112.308 tors. eta vs tors. theta energy: -210.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2311.133020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.133020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.133020 (E_RNA) where: Base-Base interactions energy: -1643.084 where: short stacking energy: -678.391 Base-Backbone interact. energy: -1.122 local terms energy: -666.926781 where: bonds (distance) C4'-P energy: -130.888 bonds (distance) P-C4' energy: -103.972 flat angles C4'-P-C4' energy: -140.514 flat angles P-C4'-P energy: -99.476 tors. eta vs tors. theta energy: -192.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2248.136738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.136738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.136738 (E_RNA) where: Base-Base interactions energy: -1601.516 where: short stacking energy: -644.653 Base-Backbone interact. energy: 0.930 local terms energy: -647.551072 where: bonds (distance) C4'-P energy: -125.526 bonds (distance) P-C4' energy: -106.044 flat angles C4'-P-C4' energy: -139.429 flat angles P-C4'-P energy: -85.712 tors. eta vs tors. theta energy: -190.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2169.191918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.191918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.191918 (E_RNA) where: Base-Base interactions energy: -1551.924 where: short stacking energy: -616.969 Base-Backbone interact. energy: -1.224 local terms energy: -616.043734 where: bonds (distance) C4'-P energy: -115.969 bonds (distance) P-C4' energy: -135.351 flat angles C4'-P-C4' energy: -129.430 flat angles P-C4'-P energy: -70.371 tors. eta vs tors. theta energy: -164.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1984.161784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.161784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.161784 (E_RNA) where: Base-Base interactions energy: -1407.872 where: short stacking energy: -575.566 Base-Backbone interact. energy: -2.655 local terms energy: -573.634575 where: bonds (distance) C4'-P energy: -100.831 bonds (distance) P-C4' energy: -109.120 flat angles C4'-P-C4' energy: -121.049 flat angles P-C4'-P energy: -89.800 tors. eta vs tors. theta energy: -152.834 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: 367 Temperature: 1.300000 Total energy: -1637.812697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.812697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.812697 (E_RNA) where: Base-Base interactions energy: -1117.967 where: short stacking energy: -476.591 Base-Backbone interact. energy: 4.621 local terms energy: -524.466923 where: bonds (distance) C4'-P energy: -103.966 bonds (distance) P-C4' energy: -105.896 flat angles C4'-P-C4' energy: -108.853 flat angles P-C4'-P energy: -85.906 tors. eta vs tors. theta energy: -119.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -990.916516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.916516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.916516 (E_RNA) where: Base-Base interactions energy: -582.830 where: short stacking energy: -266.598 Base-Backbone interact. energy: -1.893 local terms energy: -406.193532 where: bonds (distance) C4'-P energy: -103.930 bonds (distance) P-C4' energy: -108.036 flat angles C4'-P-C4' energy: -106.454 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -39.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2697.187109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.187109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.187109 (E_RNA) where: Base-Base interactions energy: -1890.822 where: short stacking energy: -775.709 Base-Backbone interact. energy: -2.372 local terms energy: -803.993142 where: bonds (distance) C4'-P energy: -153.108 bonds (distance) P-C4' energy: -137.340 flat angles C4'-P-C4' energy: -164.678 flat angles P-C4'-P energy: -111.386 tors. eta vs tors. theta energy: -237.482 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: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2586.610623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.610623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.610623 (E_RNA) where: Base-Base interactions energy: -1820.564 where: short stacking energy: -757.242 Base-Backbone interact. energy: -0.940 local terms energy: -765.106488 where: bonds (distance) C4'-P energy: -132.470 bonds (distance) P-C4' energy: -138.229 flat angles C4'-P-C4' energy: -148.160 flat angles P-C4'-P energy: -111.920 tors. eta vs tors. theta energy: -234.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2536.355337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.355337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.355337 (E_RNA) where: Base-Base interactions energy: -1789.899 where: short stacking energy: -750.259 Base-Backbone interact. energy: 0.413 local terms energy: -746.868850 where: bonds (distance) C4'-P energy: -128.315 bonds (distance) P-C4' energy: -125.160 flat angles C4'-P-C4' energy: -166.012 flat angles P-C4'-P energy: -106.406 tors. eta vs tors. theta energy: -220.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2332.204711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.204711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.204711 (E_RNA) where: Base-Base interactions energy: -1653.228 where: short stacking energy: -649.881 Base-Backbone interact. energy: -2.273 local terms energy: -676.704075 where: bonds (distance) C4'-P energy: -121.422 bonds (distance) P-C4' energy: -126.146 flat angles C4'-P-C4' energy: -143.947 flat angles P-C4'-P energy: -99.960 tors. eta vs tors. theta energy: -185.229 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: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2354.011494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.011494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.011494 (E_RNA) where: Base-Base interactions energy: -1701.195 where: short stacking energy: -711.854 Base-Backbone interact. energy: -0.546 local terms energy: -652.270421 where: bonds (distance) C4'-P energy: -98.857 bonds (distance) P-C4' energy: -108.491 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -85.843 tors. eta vs tors. theta energy: -219.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2243.799101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.799101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.799101 (E_RNA) where: Base-Base interactions energy: -1597.029 where: short stacking energy: -648.048 Base-Backbone interact. energy: 1.260 local terms energy: -648.030473 where: bonds (distance) C4'-P energy: -108.096 bonds (distance) P-C4' energy: -114.549 flat angles C4'-P-C4' energy: -140.487 flat angles P-C4'-P energy: -93.218 tors. eta vs tors. theta energy: -191.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2144.359275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.359275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.359275 (E_RNA) where: Base-Base interactions energy: -1554.952 where: short stacking energy: -613.437 Base-Backbone interact. energy: -4.168 local terms energy: -585.239179 where: bonds (distance) C4'-P energy: -93.853 bonds (distance) P-C4' energy: -112.377 flat angles C4'-P-C4' energy: -128.910 flat angles P-C4'-P energy: -78.175 tors. eta vs tors. theta energy: -171.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -2024.340950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.340950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.340950 (E_RNA) where: Base-Base interactions energy: -1426.855 where: short stacking energy: -593.063 Base-Backbone interact. energy: 1.486 local terms energy: -598.972161 where: bonds (distance) C4'-P energy: -106.379 bonds (distance) P-C4' energy: -114.092 flat angles C4'-P-C4' energy: -129.094 flat angles P-C4'-P energy: -87.151 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: 368 Temperature: 1.300000 Total energy: -1691.432932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.432932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.432932 (E_RNA) where: Base-Base interactions energy: -1168.336 where: short stacking energy: -490.525 Base-Backbone interact. energy: -2.710 local terms energy: -520.386302 where: bonds (distance) C4'-P energy: -86.944 bonds (distance) P-C4' energy: -97.977 flat angles C4'-P-C4' energy: -124.247 flat angles P-C4'-P energy: -80.671 tors. eta vs tors. theta energy: -130.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1082.851019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.851019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.851019 (E_RNA) where: Base-Base interactions energy: -681.281 where: short stacking energy: -330.959 Base-Backbone interact. energy: 5.185 local terms energy: -406.754372 where: bonds (distance) C4'-P energy: -91.057 bonds (distance) P-C4' energy: -94.756 flat angles C4'-P-C4' energy: -99.151 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -52.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2696.858247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.858247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.858247 (E_RNA) where: Base-Base interactions energy: -1938.196 where: short stacking energy: -775.826 Base-Backbone interact. energy: -3.690 local terms energy: -754.972019 where: bonds (distance) C4'-P energy: -126.493 bonds (distance) P-C4' energy: -121.519 flat angles C4'-P-C4' energy: -160.639 flat angles P-C4'-P energy: -114.837 tors. eta vs tors. theta energy: -231.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2591.399900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.399900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.399900 (E_RNA) where: Base-Base interactions energy: -1831.993 where: short stacking energy: -750.685 Base-Backbone interact. energy: 0.502 local terms energy: -759.908341 where: bonds (distance) C4'-P energy: -122.158 bonds (distance) P-C4' energy: -136.214 flat angles C4'-P-C4' energy: -153.236 flat angles P-C4'-P energy: -119.297 tors. eta vs tors. theta energy: -229.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2482.567897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.567897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.567897 (E_RNA) where: Base-Base interactions energy: -1800.033 where: short stacking energy: -729.470 Base-Backbone interact. energy: 4.238 local terms energy: -686.772412 where: bonds (distance) C4'-P energy: -115.388 bonds (distance) P-C4' energy: -126.949 flat angles C4'-P-C4' energy: -135.136 flat angles P-C4'-P energy: -97.083 tors. eta vs tors. theta energy: -212.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2417.803147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.803147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.803147 (E_RNA) where: Base-Base interactions energy: -1686.393 where: short stacking energy: -707.308 Base-Backbone interact. energy: -1.197 local terms energy: -730.213664 where: bonds (distance) C4'-P energy: -121.087 bonds (distance) P-C4' energy: -126.117 flat angles C4'-P-C4' energy: -159.145 flat angles P-C4'-P energy: -105.890 tors. eta vs tors. theta energy: -217.974 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: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2297.883948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.883948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.883948 (E_RNA) where: Base-Base interactions energy: -1600.981 where: short stacking energy: -662.777 Base-Backbone interact. energy: -1.356 local terms energy: -695.547379 where: bonds (distance) C4'-P energy: -138.266 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -134.407 flat angles P-C4'-P energy: -102.780 tors. eta vs tors. theta energy: -186.889 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: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2186.825693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.825693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.825693 (E_RNA) where: Base-Base interactions energy: -1575.472 where: short stacking energy: -637.491 Base-Backbone interact. energy: -1.233 local terms energy: -610.121149 where: bonds (distance) C4'-P energy: -104.698 bonds (distance) P-C4' energy: -104.500 flat angles C4'-P-C4' energy: -132.307 flat angles P-C4'-P energy: -89.894 tors. eta vs tors. theta energy: -178.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2157.412438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.412438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.412438 (E_RNA) where: Base-Base interactions energy: -1520.428 where: short stacking energy: -620.112 Base-Backbone interact. energy: 0.854 local terms energy: -637.838320 where: bonds (distance) C4'-P energy: -124.371 bonds (distance) P-C4' energy: -116.318 flat angles C4'-P-C4' energy: -138.490 flat angles P-C4'-P energy: -75.214 tors. eta vs tors. theta energy: -183.446 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: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2001.818964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.818964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.818964 (E_RNA) where: Base-Base interactions energy: -1417.957 where: short stacking energy: -604.844 Base-Backbone interact. energy: 0.655 local terms energy: -584.517571 where: bonds (distance) C4'-P energy: -105.869 bonds (distance) P-C4' energy: -90.551 flat angles C4'-P-C4' energy: -127.836 flat angles P-C4'-P energy: -82.420 tors. eta vs tors. theta energy: -177.841 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: 369 Temperature: 1.300000 Total energy: -1652.643518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.643518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.643518 (E_RNA) where: Base-Base interactions energy: -1132.582 where: short stacking energy: -486.163 Base-Backbone interact. energy: -0.328 local terms energy: -519.733548 where: bonds (distance) C4'-P energy: -101.949 bonds (distance) P-C4' energy: -114.794 flat angles C4'-P-C4' energy: -110.039 flat angles P-C4'-P energy: -77.154 tors. eta vs tors. theta energy: -115.797 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: 369 Temperature: 1.350000 Total energy: -1031.362253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.362253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.362253 (E_RNA) where: Base-Base interactions energy: -653.228 where: short stacking energy: -292.546 Base-Backbone interact. energy: -0.098 local terms energy: -378.036839 where: bonds (distance) C4'-P energy: -103.792 bonds (distance) P-C4' energy: -99.295 flat angles C4'-P-C4' energy: -78.548 flat angles P-C4'-P energy: -56.758 tors. eta vs tors. theta energy: -39.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2661.984318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.984318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.984318 (E_RNA) where: Base-Base interactions energy: -1895.010 where: short stacking energy: -754.535 Base-Backbone interact. energy: 0.005 local terms energy: -766.979754 where: bonds (distance) C4'-P energy: -121.339 bonds (distance) P-C4' energy: -152.570 flat angles C4'-P-C4' energy: -151.336 flat angles P-C4'-P energy: -110.263 tors. eta vs tors. theta energy: -231.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2582.412174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.412174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.412174 (E_RNA) where: Base-Base interactions energy: -1799.780 where: short stacking energy: -727.744 Base-Backbone interact. energy: -0.676 local terms energy: -781.956056 where: bonds (distance) C4'-P energy: -145.117 bonds (distance) P-C4' energy: -137.771 flat angles C4'-P-C4' energy: -149.233 flat angles P-C4'-P energy: -115.385 tors. eta vs tors. theta energy: -234.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2468.300122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.300122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.300122 (E_RNA) where: Base-Base interactions energy: -1757.652 where: short stacking energy: -707.989 Base-Backbone interact. energy: -1.800 local terms energy: -708.848153 where: bonds (distance) C4'-P energy: -127.593 bonds (distance) P-C4' energy: -111.052 flat angles C4'-P-C4' energy: -148.443 flat angles P-C4'-P energy: -97.235 tors. eta vs tors. theta energy: -224.524 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: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2464.342691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.342691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.342691 (E_RNA) where: Base-Base interactions energy: -1752.719 where: short stacking energy: -717.008 Base-Backbone interact. energy: -0.957 local terms energy: -710.665980 where: bonds (distance) C4'-P energy: -128.176 bonds (distance) P-C4' energy: -121.540 flat angles C4'-P-C4' energy: -152.262 flat angles P-C4'-P energy: -89.654 tors. eta vs tors. theta energy: -219.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2289.918873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.918873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.918873 (E_RNA) where: Base-Base interactions energy: -1612.248 where: short stacking energy: -682.204 Base-Backbone interact. energy: 1.333 local terms energy: -679.003848 where: bonds (distance) C4'-P energy: -118.948 bonds (distance) P-C4' energy: -126.252 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -95.535 tors. eta vs tors. theta energy: -198.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2247.278308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.278308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.278308 (E_RNA) where: Base-Base interactions energy: -1604.774 where: short stacking energy: -637.141 Base-Backbone interact. energy: 7.523 local terms energy: -650.027599 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -117.899 flat angles C4'-P-C4' energy: -139.367 flat angles P-C4'-P energy: -88.606 tors. eta vs tors. theta energy: -189.911 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: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2180.790496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.790496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.790496 (E_RNA) where: Base-Base interactions energy: -1535.389 where: short stacking energy: -623.533 Base-Backbone interact. energy: -2.152 local terms energy: -643.250039 where: bonds (distance) C4'-P energy: -109.975 bonds (distance) P-C4' energy: -119.371 flat angles C4'-P-C4' energy: -149.687 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -184.241 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: 370 Temperature: 1.250000 Total energy: -2044.006363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.006363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.006363 (E_RNA) where: Base-Base interactions energy: -1431.184 where: short stacking energy: -598.142 Base-Backbone interact. energy: 1.227 local terms energy: -614.049482 where: bonds (distance) C4'-P energy: -118.818 bonds (distance) P-C4' energy: -102.335 flat angles C4'-P-C4' energy: -123.949 flat angles P-C4'-P energy: -90.936 tors. eta vs tors. theta energy: -178.012 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: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1635.367616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.367616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.367616 (E_RNA) where: Base-Base interactions energy: -1124.004 where: short stacking energy: -473.344 Base-Backbone interact. energy: 0.072 local terms energy: -511.435001 where: bonds (distance) C4'-P energy: -85.874 bonds (distance) P-C4' energy: -109.352 flat angles C4'-P-C4' energy: -121.643 flat angles P-C4'-P energy: -73.625 tors. eta vs tors. theta energy: -120.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1034.864494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.864494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.864494 (E_RNA) where: Base-Base interactions energy: -611.807 where: short stacking energy: -293.702 Base-Backbone interact. energy: 1.492 local terms energy: -424.549810 where: bonds (distance) C4'-P energy: -109.982 bonds (distance) P-C4' energy: -123.532 flat angles C4'-P-C4' energy: -89.289 flat angles P-C4'-P energy: -71.952 tors. eta vs tors. theta energy: -29.795 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: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2715.873585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.873585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.873585 (E_RNA) where: Base-Base interactions energy: -1942.023 where: short stacking energy: -789.451 Base-Backbone interact. energy: -2.578 local terms energy: -771.273126 where: bonds (distance) C4'-P energy: -124.817 bonds (distance) P-C4' energy: -135.478 flat angles C4'-P-C4' energy: -167.921 flat angles P-C4'-P energy: -112.615 tors. eta vs tors. theta energy: -230.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2631.782122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.782122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.782122 (E_RNA) where: Base-Base interactions energy: -1869.900 where: short stacking energy: -783.091 Base-Backbone interact. energy: -1.511 local terms energy: -760.370683 where: bonds (distance) C4'-P energy: -120.451 bonds (distance) P-C4' energy: -136.640 flat angles C4'-P-C4' energy: -158.986 flat angles P-C4'-P energy: -107.131 tors. eta vs tors. theta energy: -237.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2495.752337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.752337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.752337 (E_RNA) where: Base-Base interactions energy: -1778.887 where: short stacking energy: -737.477 Base-Backbone interact. energy: -1.463 local terms energy: -715.401855 where: bonds (distance) C4'-P energy: -119.994 bonds (distance) P-C4' energy: -135.339 flat angles C4'-P-C4' energy: -145.198 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -214.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2501.932639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.932639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.932639 (E_RNA) where: Base-Base interactions energy: -1791.125 where: short stacking energy: -734.490 Base-Backbone interact. energy: -0.255 local terms energy: -710.552157 where: bonds (distance) C4'-P energy: -117.177 bonds (distance) P-C4' energy: -105.966 flat angles C4'-P-C4' energy: -152.488 flat angles P-C4'-P energy: -114.261 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: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2301.613725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.613725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.613725 (E_RNA) where: Base-Base interactions energy: -1624.832 where: short stacking energy: -664.534 Base-Backbone interact. energy: -0.400 local terms energy: -676.382125 where: bonds (distance) C4'-P energy: -112.781 bonds (distance) P-C4' energy: -107.003 flat angles C4'-P-C4' energy: -156.410 flat angles P-C4'-P energy: -93.725 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: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2230.865383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.865383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.865383 (E_RNA) where: Base-Base interactions energy: -1587.291 where: short stacking energy: -632.232 Base-Backbone interact. energy: -0.095 local terms energy: -643.478710 where: bonds (distance) C4'-P energy: -112.185 bonds (distance) P-C4' energy: -114.294 flat angles C4'-P-C4' energy: -136.564 flat angles P-C4'-P energy: -92.021 tors. eta vs tors. theta energy: -188.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2189.258405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.258405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.258405 (E_RNA) where: Base-Base interactions energy: -1555.388 where: short stacking energy: -641.210 Base-Backbone interact. energy: -0.698 local terms energy: -633.171858 where: bonds (distance) C4'-P energy: -112.756 bonds (distance) P-C4' energy: -125.163 flat angles C4'-P-C4' energy: -128.189 flat angles P-C4'-P energy: -74.166 tors. eta vs tors. theta energy: -192.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -2002.975722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.975722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.975722 (E_RNA) where: Base-Base interactions energy: -1413.966 where: short stacking energy: -588.464 Base-Backbone interact. energy: 5.860 local terms energy: -594.869906 where: bonds (distance) C4'-P energy: -117.166 bonds (distance) P-C4' energy: -91.095 flat angles C4'-P-C4' energy: -136.084 flat angles P-C4'-P energy: -78.759 tors. eta vs tors. theta energy: -171.766 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: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1629.118810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.118810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.118810 (E_RNA) where: Base-Base interactions energy: -1123.012 where: short stacking energy: -476.924 Base-Backbone interact. energy: 1.515 local terms energy: -507.622173 where: bonds (distance) C4'-P energy: -105.816 bonds (distance) P-C4' energy: -107.704 flat angles C4'-P-C4' energy: -106.372 flat angles P-C4'-P energy: -70.933 tors. eta vs tors. theta energy: -116.797 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: 371 Temperature: 1.350000 Total energy: -1130.147914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.147914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.147914 (E_RNA) where: Base-Base interactions energy: -714.540 where: short stacking energy: -328.194 Base-Backbone interact. energy: 1.714 local terms energy: -417.322720 where: bonds (distance) C4'-P energy: -103.599 bonds (distance) P-C4' energy: -109.400 flat angles C4'-P-C4' energy: -102.252 flat angles P-C4'-P energy: -64.486 tors. eta vs tors. theta energy: -37.586 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: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2670.878679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.878679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.878679 (E_RNA) where: Base-Base interactions energy: -1925.913 where: short stacking energy: -775.401 Base-Backbone interact. energy: -2.484 local terms energy: -742.481095 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -133.358 flat angles C4'-P-C4' energy: -168.212 flat angles P-C4'-P energy: -102.720 tors. eta vs tors. theta energy: -229.601 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: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2586.724087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.724087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.724087 (E_RNA) where: Base-Base interactions energy: -1808.589 where: short stacking energy: -754.166 Base-Backbone interact. energy: -2.941 local terms energy: -775.194067 where: bonds (distance) C4'-P energy: -140.023 bonds (distance) P-C4' energy: -126.044 flat angles C4'-P-C4' energy: -155.542 flat angles P-C4'-P energy: -113.914 tors. eta vs tors. theta energy: -239.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2509.383270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.383270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.383270 (E_RNA) where: Base-Base interactions energy: -1799.342 where: short stacking energy: -723.617 Base-Backbone interact. energy: -2.718 local terms energy: -707.323650 where: bonds (distance) C4'-P energy: -109.130 bonds (distance) P-C4' energy: -131.534 flat angles C4'-P-C4' energy: -148.620 flat angles P-C4'-P energy: -108.720 tors. eta vs tors. theta energy: -209.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2453.786482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.786482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.786482 (E_RNA) where: Base-Base interactions energy: -1737.081 where: short stacking energy: -721.493 Base-Backbone interact. energy: 1.782 local terms energy: -718.488047 where: bonds (distance) C4'-P energy: -126.853 bonds (distance) P-C4' energy: -121.859 flat angles C4'-P-C4' energy: -144.512 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -217.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2303.698298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.698298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.698298 (E_RNA) where: Base-Base interactions energy: -1662.127 where: short stacking energy: -669.309 Base-Backbone interact. energy: -0.592 local terms energy: -640.978720 where: bonds (distance) C4'-P energy: -99.154 bonds (distance) P-C4' energy: -130.526 flat angles C4'-P-C4' energy: -130.741 flat angles P-C4'-P energy: -96.410 tors. eta vs tors. theta energy: -184.148 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: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2212.007408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.007408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.007408 (E_RNA) where: Base-Base interactions energy: -1582.383 where: short stacking energy: -632.604 Base-Backbone interact. energy: -0.664 local terms energy: -628.959662 where: bonds (distance) C4'-P energy: -114.575 bonds (distance) P-C4' energy: -127.981 flat angles C4'-P-C4' energy: -118.962 flat angles P-C4'-P energy: -88.529 tors. eta vs tors. theta energy: -178.913 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: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2181.324651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.324651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.324651 (E_RNA) where: Base-Base interactions energy: -1541.778 where: short stacking energy: -629.523 Base-Backbone interact. energy: 5.120 local terms energy: -644.666633 where: bonds (distance) C4'-P energy: -122.028 bonds (distance) P-C4' energy: -103.757 flat angles C4'-P-C4' energy: -140.320 flat angles P-C4'-P energy: -85.769 tors. eta vs tors. theta energy: -192.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -2029.773688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.773688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.773688 (E_RNA) where: Base-Base interactions energy: -1419.623 where: short stacking energy: -562.940 Base-Backbone interact. energy: 1.475 local terms energy: -611.625752 where: bonds (distance) C4'-P energy: -104.383 bonds (distance) P-C4' energy: -111.552 flat angles C4'-P-C4' energy: -136.021 flat angles P-C4'-P energy: -91.045 tors. eta vs tors. theta energy: -168.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1697.479675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.479675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.479675 (E_RNA) where: Base-Base interactions energy: -1173.141 where: short stacking energy: -493.553 Base-Backbone interact. energy: -0.515 local terms energy: -523.823262 where: bonds (distance) C4'-P energy: -94.689 bonds (distance) P-C4' energy: -87.943 flat angles C4'-P-C4' energy: -135.527 flat angles P-C4'-P energy: -68.387 tors. eta vs tors. theta energy: -137.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1184.483597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.483597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.483597 (E_RNA) where: Base-Base interactions energy: -754.517 where: short stacking energy: -350.084 Base-Backbone interact. energy: -0.364 local terms energy: -429.602593 where: bonds (distance) C4'-P energy: -98.854 bonds (distance) P-C4' energy: -111.226 flat angles C4'-P-C4' energy: -91.917 flat angles P-C4'-P energy: -63.046 tors. eta vs tors. theta energy: -64.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2707.571879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.571879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.571879 (E_RNA) where: Base-Base interactions energy: -1923.779 where: short stacking energy: -781.897 Base-Backbone interact. energy: 2.378 local terms energy: -786.171320 where: bonds (distance) C4'-P energy: -130.303 bonds (distance) P-C4' energy: -141.815 flat angles C4'-P-C4' energy: -160.127 flat angles P-C4'-P energy: -114.962 tors. eta vs tors. theta energy: -238.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2569.647143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.647143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.647143 (E_RNA) where: Base-Base interactions energy: -1838.576 where: short stacking energy: -726.462 Base-Backbone interact. energy: 1.395 local terms energy: -732.466780 where: bonds (distance) C4'-P energy: -131.634 bonds (distance) P-C4' energy: -126.580 flat angles C4'-P-C4' energy: -148.151 flat angles P-C4'-P energy: -108.097 tors. eta vs tors. theta energy: -218.005 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: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2516.872578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.872578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.872578 (E_RNA) where: Base-Base interactions energy: -1783.442 where: short stacking energy: -757.105 Base-Backbone interact. energy: 0.612 local terms energy: -734.042404 where: bonds (distance) C4'-P energy: -127.319 bonds (distance) P-C4' energy: -116.539 flat angles C4'-P-C4' energy: -154.162 flat angles P-C4'-P energy: -97.332 tors. eta vs tors. theta energy: -238.691 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: 373 Temperature: 1.050000 Total energy: -2458.280421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.280421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.280421 (E_RNA) where: Base-Base interactions energy: -1768.074 where: short stacking energy: -696.516 Base-Backbone interact. energy: -1.299 local terms energy: -688.906895 where: bonds (distance) C4'-P energy: -123.962 bonds (distance) P-C4' energy: -107.529 flat angles C4'-P-C4' energy: -153.090 flat angles P-C4'-P energy: -90.049 tors. eta vs tors. theta energy: -214.277 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: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2307.109626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.109626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.109626 (E_RNA) where: Base-Base interactions energy: -1679.335 where: short stacking energy: -674.086 Base-Backbone interact. energy: 3.036 local terms energy: -630.811131 where: bonds (distance) C4'-P energy: -123.924 bonds (distance) P-C4' energy: -123.730 flat angles C4'-P-C4' energy: -126.579 flat angles P-C4'-P energy: -75.333 tors. eta vs tors. theta energy: -181.245 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: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2232.680934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.680934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.680934 (E_RNA) where: Base-Base interactions energy: -1601.991 where: short stacking energy: -652.505 Base-Backbone interact. energy: -1.237 local terms energy: -629.453322 where: bonds (distance) C4'-P energy: -100.013 bonds (distance) P-C4' energy: -104.585 flat angles C4'-P-C4' energy: -143.768 flat angles P-C4'-P energy: -86.632 tors. eta vs tors. theta energy: -194.455 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: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2135.305893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.305893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.305893 (E_RNA) where: Base-Base interactions energy: -1504.425 where: short stacking energy: -607.332 Base-Backbone interact. energy: -3.141 local terms energy: -627.739573 where: bonds (distance) C4'-P energy: -94.468 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -123.049 flat angles P-C4'-P energy: -94.413 tors. eta vs tors. theta energy: -194.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1935.584357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.584357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.584357 (E_RNA) where: Base-Base interactions energy: -1362.500 where: short stacking energy: -569.338 Base-Backbone interact. energy: 1.637 local terms energy: -574.721442 where: bonds (distance) C4'-P energy: -100.133 bonds (distance) P-C4' energy: -88.879 flat angles C4'-P-C4' energy: -130.226 flat angles P-C4'-P energy: -95.385 tors. eta vs tors. theta energy: -160.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1746.451223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.451223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.451223 (E_RNA) where: Base-Base interactions energy: -1230.193 where: short stacking energy: -486.093 Base-Backbone interact. energy: 1.655 local terms energy: -517.912854 where: bonds (distance) C4'-P energy: -111.787 bonds (distance) P-C4' energy: -103.838 flat angles C4'-P-C4' energy: -131.075 flat angles P-C4'-P energy: -70.048 tors. eta vs tors. theta energy: -101.164 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: 373 Temperature: 1.350000 Total energy: -1154.845819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.845819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.845819 (E_RNA) where: Base-Base interactions energy: -731.373 where: short stacking energy: -337.850 Base-Backbone interact. energy: 6.617 local terms energy: -430.089980 where: bonds (distance) C4'-P energy: -108.810 bonds (distance) P-C4' energy: -104.162 flat angles C4'-P-C4' energy: -102.138 flat angles P-C4'-P energy: -61.008 tors. eta vs tors. theta energy: -53.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2702.677873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.677873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.677873 (E_RNA) where: Base-Base interactions energy: -1909.163 where: short stacking energy: -785.796 Base-Backbone interact. energy: -1.166 local terms energy: -792.348685 where: bonds (distance) C4'-P energy: -143.264 bonds (distance) P-C4' energy: -136.849 flat angles C4'-P-C4' energy: -164.497 flat angles P-C4'-P energy: -110.563 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: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2583.411187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.411187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.411187 (E_RNA) where: Base-Base interactions energy: -1842.411 where: short stacking energy: -739.342 Base-Backbone interact. energy: -0.735 local terms energy: -740.264541 where: bonds (distance) C4'-P energy: -130.236 bonds (distance) P-C4' energy: -131.397 flat angles C4'-P-C4' energy: -149.614 flat angles P-C4'-P energy: -104.544 tors. eta vs tors. theta energy: -224.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2529.971544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.971544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.971544 (E_RNA) where: Base-Base interactions energy: -1806.416 where: short stacking energy: -737.407 Base-Backbone interact. energy: -2.085 local terms energy: -721.471214 where: bonds (distance) C4'-P energy: -106.807 bonds (distance) P-C4' energy: -132.052 flat angles C4'-P-C4' energy: -146.783 flat angles P-C4'-P energy: -98.925 tors. eta vs tors. theta energy: -236.904 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: 374 Temperature: 1.050000 Total energy: -2427.729036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.729036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.729036 (E_RNA) where: Base-Base interactions energy: -1721.880 where: short stacking energy: -710.689 Base-Backbone interact. energy: -4.808 local terms energy: -701.040787 where: bonds (distance) C4'-P energy: -109.823 bonds (distance) P-C4' energy: -112.622 flat angles C4'-P-C4' energy: -157.546 flat angles P-C4'-P energy: -98.538 tors. eta vs tors. theta energy: -222.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2329.202323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.202323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.202323 (E_RNA) where: Base-Base interactions energy: -1653.528 where: short stacking energy: -671.504 Base-Backbone interact. energy: 5.675 local terms energy: -681.349623 where: bonds (distance) C4'-P energy: -109.984 bonds (distance) P-C4' energy: -128.838 flat angles C4'-P-C4' energy: -148.177 flat angles P-C4'-P energy: -104.047 tors. eta vs tors. theta energy: -190.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2242.094855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.094855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.094855 (E_RNA) where: Base-Base interactions energy: -1615.245 where: short stacking energy: -644.566 Base-Backbone interact. energy: -1.870 local terms energy: -624.980427 where: bonds (distance) C4'-P energy: -99.118 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -142.433 flat angles P-C4'-P energy: -89.850 tors. eta vs tors. theta energy: -184.410 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: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2140.183305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.183305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.183305 (E_RNA) where: Base-Base interactions energy: -1496.339 where: short stacking energy: -612.708 Base-Backbone interact. energy: -3.843 local terms energy: -640.001947 where: bonds (distance) C4'-P energy: -116.404 bonds (distance) P-C4' energy: -105.078 flat angles C4'-P-C4' energy: -136.233 flat angles P-C4'-P energy: -97.947 tors. eta vs tors. theta energy: -184.340 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: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1924.824034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.824034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.824034 (E_RNA) where: Base-Base interactions energy: -1357.802 where: short stacking energy: -551.198 Base-Backbone interact. energy: -1.535 local terms energy: -565.486849 where: bonds (distance) C4'-P energy: -94.469 bonds (distance) P-C4' energy: -119.634 flat angles C4'-P-C4' energy: -129.208 flat angles P-C4'-P energy: -69.000 tors. eta vs tors. theta energy: -153.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1785.904992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.904992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.904992 (E_RNA) where: Base-Base interactions energy: -1226.030 where: short stacking energy: -482.986 Base-Backbone interact. energy: -3.082 local terms energy: -556.793640 where: bonds (distance) C4'-P energy: -117.125 bonds (distance) P-C4' energy: -109.105 flat angles C4'-P-C4' energy: -129.093 flat angles P-C4'-P energy: -68.273 tors. eta vs tors. theta energy: -133.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1160.512070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.512070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.512070 (E_RNA) where: Base-Base interactions energy: -711.359 where: short stacking energy: -299.103 Base-Backbone interact. energy: 3.904 local terms energy: -453.057222 where: bonds (distance) C4'-P energy: -118.979 bonds (distance) P-C4' energy: -102.117 flat angles C4'-P-C4' energy: -103.895 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -58.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2703.874062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.874062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.874062 (E_RNA) where: Base-Base interactions energy: -1916.692 where: short stacking energy: -791.234 Base-Backbone interact. energy: -2.616 local terms energy: -784.565878 where: bonds (distance) C4'-P energy: -125.003 bonds (distance) P-C4' energy: -137.195 flat angles C4'-P-C4' energy: -164.843 flat angles P-C4'-P energy: -115.590 tors. eta vs tors. theta energy: -241.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2573.473744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.473744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.473744 (E_RNA) where: Base-Base interactions energy: -1841.729 where: short stacking energy: -746.313 Base-Backbone interact. energy: -1.133 local terms energy: -730.612122 where: bonds (distance) C4'-P energy: -135.883 bonds (distance) P-C4' energy: -137.914 flat angles C4'-P-C4' energy: -148.371 flat angles P-C4'-P energy: -80.170 tors. eta vs tors. theta energy: -228.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2556.827652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.827652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.827652 (E_RNA) where: Base-Base interactions energy: -1828.879 where: short stacking energy: -759.647 Base-Backbone interact. energy: -1.610 local terms energy: -726.339179 where: bonds (distance) C4'-P energy: -109.182 bonds (distance) P-C4' energy: -119.589 flat angles C4'-P-C4' energy: -157.597 flat angles P-C4'-P energy: -101.480 tors. eta vs tors. theta energy: -238.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2416.277500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.277500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.277500 (E_RNA) where: Base-Base interactions energy: -1694.326 where: short stacking energy: -698.607 Base-Backbone interact. energy: -0.859 local terms energy: -721.092304 where: bonds (distance) C4'-P energy: -130.915 bonds (distance) P-C4' energy: -130.170 flat angles C4'-P-C4' energy: -153.633 flat angles P-C4'-P energy: -99.127 tors. eta vs tors. theta energy: -207.247 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: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2353.753039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.753039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.753039 (E_RNA) where: Base-Base interactions energy: -1699.825 where: short stacking energy: -679.984 Base-Backbone interact. energy: -2.294 local terms energy: -651.633823 where: bonds (distance) C4'-P energy: -102.919 bonds (distance) P-C4' energy: -112.857 flat angles C4'-P-C4' energy: -154.180 flat angles P-C4'-P energy: -80.432 tors. eta vs tors. theta energy: -201.246 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: 375 Temperature: 1.150000 Total energy: -2222.646514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.646514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.646514 (E_RNA) where: Base-Base interactions energy: -1564.848 where: short stacking energy: -661.916 Base-Backbone interact. energy: -1.434 local terms energy: -656.364570 where: bonds (distance) C4'-P energy: -112.628 bonds (distance) P-C4' energy: -105.525 flat angles C4'-P-C4' energy: -145.026 flat angles P-C4'-P energy: -95.504 tors. eta vs tors. theta energy: -197.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2172.046852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.046852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.046852 (E_RNA) where: Base-Base interactions energy: -1562.023 where: short stacking energy: -640.907 Base-Backbone interact. energy: 1.817 local terms energy: -611.840970 where: bonds (distance) C4'-P energy: -98.731 bonds (distance) P-C4' energy: -113.052 flat angles C4'-P-C4' energy: -126.722 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -180.340 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: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1932.837226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.837226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.837226 (E_RNA) where: Base-Base interactions energy: -1357.747 where: short stacking energy: -583.099 Base-Backbone interact. energy: 1.708 local terms energy: -576.798101 where: bonds (distance) C4'-P energy: -95.792 bonds (distance) P-C4' energy: -123.463 flat angles C4'-P-C4' energy: -117.397 flat angles P-C4'-P energy: -82.252 tors. eta vs tors. theta energy: -157.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1751.598823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.598823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.598823 (E_RNA) where: Base-Base interactions energy: -1233.998 where: short stacking energy: -517.696 Base-Backbone interact. energy: 0.412 local terms energy: -518.013401 where: bonds (distance) C4'-P energy: -81.079 bonds (distance) P-C4' energy: -117.703 flat angles C4'-P-C4' energy: -118.746 flat angles P-C4'-P energy: -74.651 tors. eta vs tors. theta energy: -125.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1147.891606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.891606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.891606 (E_RNA) where: Base-Base interactions energy: -720.706 where: short stacking energy: -311.568 Base-Backbone interact. energy: -2.708 local terms energy: -424.477564 where: bonds (distance) C4'-P energy: -96.266 bonds (distance) P-C4' energy: -111.897 flat angles C4'-P-C4' energy: -88.600 flat angles P-C4'-P energy: -76.353 tors. eta vs tors. theta energy: -51.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2706.599371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.599371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.599371 (E_RNA) where: Base-Base interactions energy: -1919.709 where: short stacking energy: -762.923 Base-Backbone interact. energy: -0.808 local terms energy: -786.082902 where: bonds (distance) C4'-P energy: -131.499 bonds (distance) P-C4' energy: -150.479 flat angles C4'-P-C4' energy: -165.544 flat angles P-C4'-P energy: -102.881 tors. eta vs tors. theta energy: -235.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2575.861906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.861906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.861906 (E_RNA) where: Base-Base interactions energy: -1846.126 where: short stacking energy: -746.721 Base-Backbone interact. energy: -1.592 local terms energy: -728.143260 where: bonds (distance) C4'-P energy: -132.768 bonds (distance) P-C4' energy: -127.109 flat angles C4'-P-C4' energy: -150.771 flat angles P-C4'-P energy: -93.406 tors. eta vs tors. theta energy: -224.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2554.438426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.438426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.438426 (E_RNA) where: Base-Base interactions energy: -1808.995 where: short stacking energy: -771.772 Base-Backbone interact. energy: -1.768 local terms energy: -743.674769 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -121.791 flat angles C4'-P-C4' energy: -145.965 flat angles P-C4'-P energy: -111.056 tors. eta vs tors. theta energy: -239.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2431.204910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.204910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.204910 (E_RNA) where: Base-Base interactions energy: -1732.780 where: short stacking energy: -692.555 Base-Backbone interact. energy: -3.445 local terms energy: -694.980345 where: bonds (distance) C4'-P energy: -104.486 bonds (distance) P-C4' energy: -120.760 flat angles C4'-P-C4' energy: -158.816 flat angles P-C4'-P energy: -101.737 tors. eta vs tors. theta energy: -209.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2348.397787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.397787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.397787 (E_RNA) where: Base-Base interactions energy: -1677.300 where: short stacking energy: -661.993 Base-Backbone interact. energy: -3.153 local terms energy: -667.944834 where: bonds (distance) C4'-P energy: -119.934 bonds (distance) P-C4' energy: -110.667 flat angles C4'-P-C4' energy: -152.527 flat angles P-C4'-P energy: -90.145 tors. eta vs tors. theta energy: -194.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2239.511889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.511889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.511889 (E_RNA) where: Base-Base interactions energy: -1577.981 where: short stacking energy: -634.980 Base-Backbone interact. energy: -1.644 local terms energy: -659.886571 where: bonds (distance) C4'-P energy: -117.997 bonds (distance) P-C4' energy: -122.463 flat angles C4'-P-C4' energy: -140.639 flat angles P-C4'-P energy: -84.677 tors. eta vs tors. theta energy: -194.111 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: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2142.879492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.879492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.879492 (E_RNA) where: Base-Base interactions energy: -1507.904 where: short stacking energy: -603.034 Base-Backbone interact. energy: -1.609 local terms energy: -633.365708 where: bonds (distance) C4'-P energy: -96.683 bonds (distance) P-C4' energy: -132.194 flat angles C4'-P-C4' energy: -137.699 flat angles P-C4'-P energy: -91.715 tors. eta vs tors. theta energy: -175.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1944.494718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.494718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.494718 (E_RNA) where: Base-Base interactions energy: -1350.532 where: short stacking energy: -569.908 Base-Backbone interact. energy: -1.470 local terms energy: -592.492020 where: bonds (distance) C4'-P energy: -122.122 bonds (distance) P-C4' energy: -117.634 flat angles C4'-P-C4' energy: -117.177 flat angles P-C4'-P energy: -79.719 tors. eta vs tors. theta energy: -155.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1804.719581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.719581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.719581 (E_RNA) where: Base-Base interactions energy: -1259.348 where: short stacking energy: -528.144 Base-Backbone interact. energy: -2.125 local terms energy: -543.245792 where: bonds (distance) C4'-P energy: -114.361 bonds (distance) P-C4' energy: -104.143 flat angles C4'-P-C4' energy: -131.147 flat angles P-C4'-P energy: -56.184 tors. eta vs tors. theta energy: -137.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1135.336266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.336266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.336266 (E_RNA) where: Base-Base interactions energy: -703.411 where: short stacking energy: -312.595 Base-Backbone interact. energy: -1.585 local terms energy: -430.339765 where: bonds (distance) C4'-P energy: -108.471 bonds (distance) P-C4' energy: -107.585 flat angles C4'-P-C4' energy: -102.912 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: -55.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2693.007463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.007463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.007463 (E_RNA) where: Base-Base interactions energy: -1925.016 where: short stacking energy: -752.809 Base-Backbone interact. energy: -3.116 local terms energy: -764.875559 where: bonds (distance) C4'-P energy: -126.512 bonds (distance) P-C4' energy: -136.458 flat angles C4'-P-C4' energy: -161.958 flat angles P-C4'-P energy: -112.700 tors. eta vs tors. theta energy: -227.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2589.172014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.172014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.172014 (E_RNA) where: Base-Base interactions energy: -1844.471 where: short stacking energy: -737.813 Base-Backbone interact. energy: -2.283 local terms energy: -742.418711 where: bonds (distance) C4'-P energy: -118.183 bonds (distance) P-C4' energy: -128.193 flat angles C4'-P-C4' energy: -158.012 flat angles P-C4'-P energy: -117.149 tors. eta vs tors. theta energy: -220.881 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: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2520.574224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.574224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.574224 (E_RNA) where: Base-Base interactions energy: -1783.482 where: short stacking energy: -746.577 Base-Backbone interact. energy: -3.141 local terms energy: -733.951502 where: bonds (distance) C4'-P energy: -129.399 bonds (distance) P-C4' energy: -117.206 flat angles C4'-P-C4' energy: -145.477 flat angles P-C4'-P energy: -109.357 tors. eta vs tors. theta energy: -232.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2447.714519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.714519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.714519 (E_RNA) where: Base-Base interactions energy: -1730.171 where: short stacking energy: -713.421 Base-Backbone interact. energy: -3.505 local terms energy: -714.038178 where: bonds (distance) C4'-P energy: -116.026 bonds (distance) P-C4' energy: -144.975 flat angles C4'-P-C4' energy: -150.579 flat angles P-C4'-P energy: -93.294 tors. eta vs tors. theta energy: -209.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2341.308487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.308487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.308487 (E_RNA) where: Base-Base interactions energy: -1661.410 where: short stacking energy: -675.585 Base-Backbone interact. energy: -0.222 local terms energy: -679.677199 where: bonds (distance) C4'-P energy: -124.928 bonds (distance) P-C4' energy: -127.620 flat angles C4'-P-C4' energy: -138.175 flat angles P-C4'-P energy: -91.361 tors. eta vs tors. theta energy: -197.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2235.771654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.771654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.771654 (E_RNA) where: Base-Base interactions energy: -1582.414 where: short stacking energy: -653.222 Base-Backbone interact. energy: -0.327 local terms energy: -653.031128 where: bonds (distance) C4'-P energy: -106.126 bonds (distance) P-C4' energy: -116.829 flat angles C4'-P-C4' energy: -137.617 flat angles P-C4'-P energy: -94.502 tors. eta vs tors. theta energy: -197.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2128.423914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.423914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.423914 (E_RNA) where: Base-Base interactions energy: -1493.067 where: short stacking energy: -617.409 Base-Backbone interact. energy: -2.492 local terms energy: -632.864924 where: bonds (distance) C4'-P energy: -105.414 bonds (distance) P-C4' energy: -129.989 flat angles C4'-P-C4' energy: -146.732 flat angles P-C4'-P energy: -81.366 tors. eta vs tors. theta energy: -169.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1883.222567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.222567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.222567 (E_RNA) where: Base-Base interactions energy: -1323.270 where: short stacking energy: -538.933 Base-Backbone interact. energy: 2.438 local terms energy: -562.390713 where: bonds (distance) C4'-P energy: -76.079 bonds (distance) P-C4' energy: -131.202 flat angles C4'-P-C4' energy: -117.507 flat angles P-C4'-P energy: -82.479 tors. eta vs tors. theta energy: -155.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1787.577520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.577520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.577520 (E_RNA) where: Base-Base interactions energy: -1251.710 where: short stacking energy: -504.779 Base-Backbone interact. energy: -0.358 local terms energy: -535.509227 where: bonds (distance) C4'-P energy: -90.693 bonds (distance) P-C4' energy: -105.781 flat angles C4'-P-C4' energy: -120.411 flat angles P-C4'-P energy: -85.840 tors. eta vs tors. theta energy: -132.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1155.598248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.598248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.598248 (E_RNA) where: Base-Base interactions energy: -725.968 where: short stacking energy: -308.563 Base-Backbone interact. energy: -2.185 local terms energy: -427.445071 where: bonds (distance) C4'-P energy: -83.415 bonds (distance) P-C4' energy: -91.219 flat angles C4'-P-C4' energy: -116.132 flat angles P-C4'-P energy: -79.107 tors. eta vs tors. theta energy: -57.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2690.460760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.460760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.460760 (E_RNA) where: Base-Base interactions energy: -1917.517 where: short stacking energy: -772.636 Base-Backbone interact. energy: -0.340 local terms energy: -772.603086 where: bonds (distance) C4'-P energy: -121.484 bonds (distance) P-C4' energy: -135.861 flat angles C4'-P-C4' energy: -167.824 flat angles P-C4'-P energy: -111.917 tors. eta vs tors. theta energy: -235.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2582.783360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.783360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.783360 (E_RNA) where: Base-Base interactions energy: -1857.593 where: short stacking energy: -740.540 Base-Backbone interact. energy: 0.386 local terms energy: -725.576797 where: bonds (distance) C4'-P energy: -124.593 bonds (distance) P-C4' energy: -115.397 flat angles C4'-P-C4' energy: -158.293 flat angles P-C4'-P energy: -106.049 tors. eta vs tors. theta energy: -221.245 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: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2528.389228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.389228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.389228 (E_RNA) where: Base-Base interactions energy: -1767.522 where: short stacking energy: -743.119 Base-Backbone interact. energy: -3.414 local terms energy: -757.453640 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -128.036 flat angles C4'-P-C4' energy: -166.899 flat angles P-C4'-P energy: -108.954 tors. eta vs tors. theta energy: -227.187 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: 378 Temperature: 1.050000 Total energy: -2451.169170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.169170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.169170 (E_RNA) where: Base-Base interactions energy: -1731.362 where: short stacking energy: -713.672 Base-Backbone interact. energy: -3.074 local terms energy: -716.733035 where: bonds (distance) C4'-P energy: -127.523 bonds (distance) P-C4' energy: -131.549 flat angles C4'-P-C4' energy: -151.883 flat angles P-C4'-P energy: -89.438 tors. eta vs tors. theta energy: -216.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2419.031090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.031090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.031090 (E_RNA) where: Base-Base interactions energy: -1705.310 where: short stacking energy: -699.547 Base-Backbone interact. energy: -1.673 local terms energy: -712.047572 where: bonds (distance) C4'-P energy: -107.436 bonds (distance) P-C4' energy: -122.526 flat angles C4'-P-C4' energy: -157.191 flat angles P-C4'-P energy: -105.858 tors. eta vs tors. theta energy: -219.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2237.361137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.361137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.361137 (E_RNA) where: Base-Base interactions energy: -1606.504 where: short stacking energy: -662.183 Base-Backbone interact. energy: -1.449 local terms energy: -629.408227 where: bonds (distance) C4'-P energy: -98.505 bonds (distance) P-C4' energy: -117.713 flat angles C4'-P-C4' energy: -143.123 flat angles P-C4'-P energy: -83.312 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: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2140.262878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.262878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.262878 (E_RNA) where: Base-Base interactions energy: -1515.271 where: short stacking energy: -616.567 Base-Backbone interact. energy: 3.868 local terms energy: -628.860234 where: bonds (distance) C4'-P energy: -119.140 bonds (distance) P-C4' energy: -107.956 flat angles C4'-P-C4' energy: -129.207 flat angles P-C4'-P energy: -94.526 tors. eta vs tors. theta energy: -178.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1864.273196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.273196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.273196 (E_RNA) where: Base-Base interactions energy: -1305.196 where: short stacking energy: -535.141 Base-Backbone interact. energy: -3.279 local terms energy: -555.798444 where: bonds (distance) C4'-P energy: -106.660 bonds (distance) P-C4' energy: -97.756 flat angles C4'-P-C4' energy: -129.873 flat angles P-C4'-P energy: -78.874 tors. eta vs tors. theta energy: -142.635 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: 378 Temperature: 1.300000 Total energy: -1779.781439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.781439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.781439 (E_RNA) where: Base-Base interactions energy: -1239.416 where: short stacking energy: -510.608 Base-Backbone interact. energy: -1.517 local terms energy: -538.848881 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -94.104 flat angles C4'-P-C4' energy: -114.026 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -130.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1178.123491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.123491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.123491 (E_RNA) where: Base-Base interactions energy: -722.685 where: short stacking energy: -326.791 Base-Backbone interact. energy: 0.795 local terms energy: -456.233301 where: bonds (distance) C4'-P energy: -104.762 bonds (distance) P-C4' energy: -119.372 flat angles C4'-P-C4' energy: -122.905 flat angles P-C4'-P energy: -69.961 tors. eta vs tors. theta energy: -39.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2724.448962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.448962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.448962 (E_RNA) where: Base-Base interactions energy: -1951.059 where: short stacking energy: -770.385 Base-Backbone interact. energy: -0.485 local terms energy: -772.904367 where: bonds (distance) C4'-P energy: -141.876 bonds (distance) P-C4' energy: -128.748 flat angles C4'-P-C4' energy: -162.976 flat angles P-C4'-P energy: -106.806 tors. eta vs tors. theta energy: -232.498 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: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2597.589293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.589293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.589293 (E_RNA) where: Base-Base interactions energy: -1853.753 where: short stacking energy: -719.760 Base-Backbone interact. energy: -1.422 local terms energy: -742.414183 where: bonds (distance) C4'-P energy: -138.875 bonds (distance) P-C4' energy: -134.302 flat angles C4'-P-C4' energy: -156.624 flat angles P-C4'-P energy: -92.712 tors. eta vs tors. theta energy: -219.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2517.261893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.261893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.261893 (E_RNA) where: Base-Base interactions energy: -1793.354 where: short stacking energy: -733.510 Base-Backbone interact. energy: -0.644 local terms energy: -723.263820 where: bonds (distance) C4'-P energy: -131.149 bonds (distance) P-C4' energy: -109.397 flat angles C4'-P-C4' energy: -148.701 flat angles P-C4'-P energy: -104.718 tors. eta vs tors. theta energy: -229.297 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: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2434.869471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.869471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.869471 (E_RNA) where: Base-Base interactions energy: -1714.414 where: short stacking energy: -715.459 Base-Backbone interact. energy: -2.249 local terms energy: -718.206752 where: bonds (distance) C4'-P energy: -112.706 bonds (distance) P-C4' energy: -133.097 flat angles C4'-P-C4' energy: -145.885 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -217.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2384.404614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.404614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.404614 (E_RNA) where: Base-Base interactions energy: -1704.536 where: short stacking energy: -690.594 Base-Backbone interact. energy: 0.802 local terms energy: -680.670619 where: bonds (distance) C4'-P energy: -102.722 bonds (distance) P-C4' energy: -128.144 flat angles C4'-P-C4' energy: -147.332 flat angles P-C4'-P energy: -94.863 tors. eta vs tors. theta energy: -207.609 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: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2229.000752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.000752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.000752 (E_RNA) where: Base-Base interactions energy: -1570.183 where: short stacking energy: -629.152 Base-Backbone interact. energy: -2.146 local terms energy: -656.672408 where: bonds (distance) C4'-P energy: -115.083 bonds (distance) P-C4' energy: -126.063 flat angles C4'-P-C4' energy: -135.503 flat angles P-C4'-P energy: -88.797 tors. eta vs tors. theta energy: -191.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2069.445514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.445514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.445514 (E_RNA) where: Base-Base interactions energy: -1467.738 where: short stacking energy: -601.124 Base-Backbone interact. energy: -1.812 local terms energy: -599.895444 where: bonds (distance) C4'-P energy: -91.825 bonds (distance) P-C4' energy: -117.327 flat angles C4'-P-C4' energy: -132.707 flat angles P-C4'-P energy: -76.220 tors. eta vs tors. theta energy: -181.816 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: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1892.081229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.081229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.081229 (E_RNA) where: Base-Base interactions energy: -1309.189 where: short stacking energy: -547.824 Base-Backbone interact. energy: 0.991 local terms energy: -583.883002 where: bonds (distance) C4'-P energy: -120.778 bonds (distance) P-C4' energy: -117.410 flat angles C4'-P-C4' energy: -118.581 flat angles P-C4'-P energy: -72.801 tors. eta vs tors. theta energy: -154.312 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: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1765.683599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.683599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.683599 (E_RNA) where: Base-Base interactions energy: -1182.909 where: short stacking energy: -497.139 Base-Backbone interact. energy: -1.662 local terms energy: -581.112608 where: bonds (distance) C4'-P energy: -127.603 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -123.660 flat angles P-C4'-P energy: -90.235 tors. eta vs tors. theta energy: -132.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1105.928908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.928908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.928908 (E_RNA) where: Base-Base interactions energy: -686.616 where: short stacking energy: -306.193 Base-Backbone interact. energy: -0.985 local terms energy: -418.328331 where: bonds (distance) C4'-P energy: -96.618 bonds (distance) P-C4' energy: -108.097 flat angles C4'-P-C4' energy: -97.708 flat angles P-C4'-P energy: -71.509 tors. eta vs tors. theta energy: -44.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2714.650534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.650534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.650534 (E_RNA) where: Base-Base interactions energy: -1943.440 where: short stacking energy: -763.516 Base-Backbone interact. energy: -2.092 local terms energy: -769.118382 where: bonds (distance) C4'-P energy: -134.320 bonds (distance) P-C4' energy: -133.891 flat angles C4'-P-C4' energy: -160.982 flat angles P-C4'-P energy: -103.527 tors. eta vs tors. theta energy: -236.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2584.346453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.346453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.346453 (E_RNA) where: Base-Base interactions energy: -1842.924 where: short stacking energy: -743.852 Base-Backbone interact. energy: -2.723 local terms energy: -738.698843 where: bonds (distance) C4'-P energy: -115.093 bonds (distance) P-C4' energy: -137.727 flat angles C4'-P-C4' energy: -158.847 flat angles P-C4'-P energy: -107.050 tors. eta vs tors. theta energy: -219.982 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: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2549.996709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.996709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.996709 (E_RNA) where: Base-Base interactions energy: -1816.574 where: short stacking energy: -752.088 Base-Backbone interact. energy: -1.273 local terms energy: -732.150001 where: bonds (distance) C4'-P energy: -118.911 bonds (distance) P-C4' energy: -123.065 flat angles C4'-P-C4' energy: -153.317 flat angles P-C4'-P energy: -98.465 tors. eta vs tors. theta energy: -238.393 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: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2431.591987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.591987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.591987 (E_RNA) where: Base-Base interactions energy: -1736.310 where: short stacking energy: -715.873 Base-Backbone interact. energy: -1.033 local terms energy: -694.249367 where: bonds (distance) C4'-P energy: -112.855 bonds (distance) P-C4' energy: -122.656 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -90.175 tors. eta vs tors. theta energy: -218.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2297.466421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.466421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.466421 (E_RNA) where: Base-Base interactions energy: -1649.104 where: short stacking energy: -664.704 Base-Backbone interact. energy: 1.151 local terms energy: -649.513849 where: bonds (distance) C4'-P energy: -123.857 bonds (distance) P-C4' energy: -103.781 flat angles C4'-P-C4' energy: -142.128 flat angles P-C4'-P energy: -86.321 tors. eta vs tors. theta energy: -193.428 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: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2193.909970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.909970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.909970 (E_RNA) where: Base-Base interactions energy: -1535.438 where: short stacking energy: -642.278 Base-Backbone interact. energy: -1.529 local terms energy: -656.943584 where: bonds (distance) C4'-P energy: -112.158 bonds (distance) P-C4' energy: -120.298 flat angles C4'-P-C4' energy: -129.920 flat angles P-C4'-P energy: -96.531 tors. eta vs tors. theta energy: -198.036 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: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2143.101702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.101702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.101702 (E_RNA) where: Base-Base interactions energy: -1519.178 where: short stacking energy: -605.439 Base-Backbone interact. energy: -1.276 local terms energy: -622.647797 where: bonds (distance) C4'-P energy: -107.619 bonds (distance) P-C4' energy: -121.789 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -84.348 tors. eta vs tors. theta energy: -172.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1957.999378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.999378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.999378 (E_RNA) where: Base-Base interactions energy: -1382.894 where: short stacking energy: -589.771 Base-Backbone interact. energy: -0.247 local terms energy: -574.858578 where: bonds (distance) C4'-P energy: -114.866 bonds (distance) P-C4' energy: -84.820 flat angles C4'-P-C4' energy: -127.750 flat angles P-C4'-P energy: -85.260 tors. eta vs tors. theta energy: -162.162 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: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1840.715563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.715563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.715563 (E_RNA) where: Base-Base interactions energy: -1254.576 where: short stacking energy: -514.068 Base-Backbone interact. energy: 1.602 local terms energy: -587.741721 where: bonds (distance) C4'-P energy: -115.384 bonds (distance) P-C4' energy: -120.499 flat angles C4'-P-C4' energy: -127.271 flat angles P-C4'-P energy: -83.102 tors. eta vs tors. theta energy: -141.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1116.195822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.195822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.195822 (E_RNA) where: Base-Base interactions energy: -685.357 where: short stacking energy: -317.226 Base-Backbone interact. energy: -0.800 local terms energy: -430.038612 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -109.858 flat angles C4'-P-C4' energy: -107.333 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -59.203 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: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2692.509528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.509528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.509528 (E_RNA) where: Base-Base interactions energy: -1930.515 where: short stacking energy: -761.020 Base-Backbone interact. energy: -1.076 local terms energy: -760.919493 where: bonds (distance) C4'-P energy: -121.903 bonds (distance) P-C4' energy: -132.489 flat angles C4'-P-C4' energy: -163.805 flat angles P-C4'-P energy: -106.330 tors. eta vs tors. theta energy: -236.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2620.406040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.406040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.406040 (E_RNA) where: Base-Base interactions energy: -1886.779 where: short stacking energy: -751.138 Base-Backbone interact. energy: -3.949 local terms energy: -729.678912 where: bonds (distance) C4'-P energy: -118.682 bonds (distance) P-C4' energy: -122.061 flat angles C4'-P-C4' energy: -156.560 flat angles P-C4'-P energy: -107.146 tors. eta vs tors. theta energy: -225.230 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: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2596.342055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.342055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.342055 (E_RNA) where: Base-Base interactions energy: -1827.817 where: short stacking energy: -770.518 Base-Backbone interact. energy: -1.710 local terms energy: -766.814928 where: bonds (distance) C4'-P energy: -131.243 bonds (distance) P-C4' energy: -121.539 flat angles C4'-P-C4' energy: -157.788 flat angles P-C4'-P energy: -111.096 tors. eta vs tors. theta energy: -245.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2438.368818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.368818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.368818 (E_RNA) where: Base-Base interactions energy: -1710.995 where: short stacking energy: -724.174 Base-Backbone interact. energy: -1.620 local terms energy: -725.753737 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -114.610 flat angles C4'-P-C4' energy: -154.273 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -222.784 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: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2335.176696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.176696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.176696 (E_RNA) where: Base-Base interactions energy: -1673.257 where: short stacking energy: -687.468 Base-Backbone interact. energy: 1.069 local terms energy: -662.988853 where: bonds (distance) C4'-P energy: -119.644 bonds (distance) P-C4' energy: -117.017 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -86.802 tors. eta vs tors. theta energy: -199.138 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: 381 Temperature: 1.150000 Total energy: -2234.030550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.030550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.030550 (E_RNA) where: Base-Base interactions energy: -1589.151 where: short stacking energy: -656.037 Base-Backbone interact. energy: -1.673 local terms energy: -643.206844 where: bonds (distance) C4'-P energy: -103.254 bonds (distance) P-C4' energy: -105.920 flat angles C4'-P-C4' energy: -138.381 flat angles P-C4'-P energy: -89.091 tors. eta vs tors. theta energy: -206.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2143.585924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.585924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.585924 (E_RNA) where: Base-Base interactions energy: -1494.912 where: short stacking energy: -605.563 Base-Backbone interact. energy: -0.059 local terms energy: -648.615112 where: bonds (distance) C4'-P energy: -119.294 bonds (distance) P-C4' energy: -117.655 flat angles C4'-P-C4' energy: -141.778 flat angles P-C4'-P energy: -87.018 tors. eta vs tors. theta energy: -182.870 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: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1957.900159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.900159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.900159 (E_RNA) where: Base-Base interactions energy: -1396.483 where: short stacking energy: -577.486 Base-Backbone interact. energy: -3.223 local terms energy: -558.193749 where: bonds (distance) C4'-P energy: -101.274 bonds (distance) P-C4' energy: -112.287 flat angles C4'-P-C4' energy: -110.289 flat angles P-C4'-P energy: -80.305 tors. eta vs tors. theta energy: -154.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1743.895716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.895716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.895716 (E_RNA) where: Base-Base interactions energy: -1229.097 where: short stacking energy: -526.635 Base-Backbone interact. energy: -0.737 local terms energy: -514.061666 where: bonds (distance) C4'-P energy: -97.047 bonds (distance) P-C4' energy: -85.504 flat angles C4'-P-C4' energy: -112.496 flat angles P-C4'-P energy: -81.122 tors. eta vs tors. theta energy: -137.893 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: 381 Temperature: 1.350000 Total energy: -1117.947999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.947999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.947999 (E_RNA) where: Base-Base interactions energy: -687.198 where: short stacking energy: -313.371 Base-Backbone interact. energy: -0.661 local terms energy: -430.089434 where: bonds (distance) C4'-P energy: -98.254 bonds (distance) P-C4' energy: -114.774 flat angles C4'-P-C4' energy: -104.200 flat angles P-C4'-P energy: -61.173 tors. eta vs tors. theta energy: -51.688 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: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2669.883028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.883028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.883028 (E_RNA) where: Base-Base interactions energy: -1897.966 where: short stacking energy: -774.975 Base-Backbone interact. energy: -2.180 local terms energy: -769.736758 where: bonds (distance) C4'-P energy: -135.408 bonds (distance) P-C4' energy: -129.597 flat angles C4'-P-C4' energy: -161.398 flat angles P-C4'-P energy: -113.867 tors. eta vs tors. theta energy: -229.467 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: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2582.924193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.924193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.924193 (E_RNA) where: Base-Base interactions energy: -1856.270 where: short stacking energy: -748.016 Base-Backbone interact. energy: -1.222 local terms energy: -725.432860 where: bonds (distance) C4'-P energy: -128.385 bonds (distance) P-C4' energy: -123.432 flat angles C4'-P-C4' energy: -149.286 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -216.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2538.299739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.299739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.299739 (E_RNA) where: Base-Base interactions energy: -1810.649 where: short stacking energy: -756.217 Base-Backbone interact. energy: -3.307 local terms energy: -724.343849 where: bonds (distance) C4'-P energy: -110.649 bonds (distance) P-C4' energy: -120.266 flat angles C4'-P-C4' energy: -155.768 flat angles P-C4'-P energy: -101.342 tors. eta vs tors. theta energy: -236.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2447.411146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.411146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.411146 (E_RNA) where: Base-Base interactions energy: -1752.504 where: short stacking energy: -736.661 Base-Backbone interact. energy: -1.159 local terms energy: -693.748397 where: bonds (distance) C4'-P energy: -116.048 bonds (distance) P-C4' energy: -111.984 flat angles C4'-P-C4' energy: -137.986 flat angles P-C4'-P energy: -104.075 tors. eta vs tors. theta energy: -223.655 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: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2343.809033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.809033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.809033 (E_RNA) where: Base-Base interactions energy: -1661.167 where: short stacking energy: -685.997 Base-Backbone interact. energy: -3.560 local terms energy: -679.081659 where: bonds (distance) C4'-P energy: -111.517 bonds (distance) P-C4' energy: -137.004 flat angles C4'-P-C4' energy: -134.092 flat angles P-C4'-P energy: -100.095 tors. eta vs tors. theta energy: -196.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2215.962932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.962932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.962932 (E_RNA) where: Base-Base interactions energy: -1587.587 where: short stacking energy: -649.356 Base-Backbone interact. energy: -0.638 local terms energy: -627.738040 where: bonds (distance) C4'-P energy: -110.702 bonds (distance) P-C4' energy: -103.997 flat angles C4'-P-C4' energy: -127.512 flat angles P-C4'-P energy: -91.621 tors. eta vs tors. theta energy: -193.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2137.368961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.368961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.368961 (E_RNA) where: Base-Base interactions energy: -1480.301 where: short stacking energy: -619.322 Base-Backbone interact. energy: 5.060 local terms energy: -662.128461 where: bonds (distance) C4'-P energy: -118.176 bonds (distance) P-C4' energy: -116.956 flat angles C4'-P-C4' energy: -142.730 flat angles P-C4'-P energy: -105.233 tors. eta vs tors. theta energy: -179.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1918.638880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.638880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.638880 (E_RNA) where: Base-Base interactions energy: -1344.189 where: short stacking energy: -549.862 Base-Backbone interact. energy: -0.653 local terms energy: -573.797363 where: bonds (distance) C4'-P energy: -105.862 bonds (distance) P-C4' energy: -113.155 flat angles C4'-P-C4' energy: -123.667 flat angles P-C4'-P energy: -78.126 tors. eta vs tors. theta energy: -152.987 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: 382 Temperature: 1.300000 Total energy: -1669.887204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.887204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.887204 (E_RNA) where: Base-Base interactions energy: -1146.624 where: short stacking energy: -490.255 Base-Backbone interact. energy: 0.520 local terms energy: -523.783021 where: bonds (distance) C4'-P energy: -95.908 bonds (distance) P-C4' energy: -104.704 flat angles C4'-P-C4' energy: -116.951 flat angles P-C4'-P energy: -79.480 tors. eta vs tors. theta energy: -126.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1181.317923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.317923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.317923 (E_RNA) where: Base-Base interactions energy: -775.645 where: short stacking energy: -339.000 Base-Backbone interact. energy: 5.666 local terms energy: -411.339485 where: bonds (distance) C4'-P energy: -81.207 bonds (distance) P-C4' energy: -111.916 flat angles C4'-P-C4' energy: -97.056 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -63.288 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: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2690.771844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.771844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.771844 (E_RNA) where: Base-Base interactions energy: -1909.216 where: short stacking energy: -772.079 Base-Backbone interact. energy: -0.882 local terms energy: -780.674459 where: bonds (distance) C4'-P energy: -132.259 bonds (distance) P-C4' energy: -137.745 flat angles C4'-P-C4' energy: -162.264 flat angles P-C4'-P energy: -105.465 tors. eta vs tors. theta energy: -242.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2587.700844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.700844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.700844 (E_RNA) where: Base-Base interactions energy: -1839.182 where: short stacking energy: -765.264 Base-Backbone interact. energy: -2.969 local terms energy: -745.549526 where: bonds (distance) C4'-P energy: -129.381 bonds (distance) P-C4' energy: -131.440 flat angles C4'-P-C4' energy: -157.717 flat angles P-C4'-P energy: -98.791 tors. eta vs tors. theta energy: -228.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2533.829015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.829015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.829015 (E_RNA) where: Base-Base interactions energy: -1791.630 where: short stacking energy: -750.174 Base-Backbone interact. energy: 1.542 local terms energy: -743.741547 where: bonds (distance) C4'-P energy: -122.756 bonds (distance) P-C4' energy: -135.727 flat angles C4'-P-C4' energy: -154.875 flat angles P-C4'-P energy: -94.730 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: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2432.970113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.970113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.970113 (E_RNA) where: Base-Base interactions energy: -1721.304 where: short stacking energy: -697.429 Base-Backbone interact. energy: -3.241 local terms energy: -708.425577 where: bonds (distance) C4'-P energy: -128.582 bonds (distance) P-C4' energy: -112.642 flat angles C4'-P-C4' energy: -151.562 flat angles P-C4'-P energy: -88.870 tors. eta vs tors. theta energy: -226.770 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: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2357.525357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.525357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.525357 (E_RNA) where: Base-Base interactions energy: -1667.749 where: short stacking energy: -671.309 Base-Backbone interact. energy: -0.773 local terms energy: -689.003685 where: bonds (distance) C4'-P energy: -127.774 bonds (distance) P-C4' energy: -131.306 flat angles C4'-P-C4' energy: -143.854 flat angles P-C4'-P energy: -95.024 tors. eta vs tors. theta energy: -191.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2235.725110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.725110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.725110 (E_RNA) where: Base-Base interactions energy: -1581.241 where: short stacking energy: -651.041 Base-Backbone interact. energy: -1.893 local terms energy: -652.591243 where: bonds (distance) C4'-P energy: -107.713 bonds (distance) P-C4' energy: -114.055 flat angles C4'-P-C4' energy: -140.793 flat angles P-C4'-P energy: -93.644 tors. eta vs tors. theta energy: -196.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2158.039501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.039501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.039501 (E_RNA) where: Base-Base interactions energy: -1538.338 where: short stacking energy: -619.247 Base-Backbone interact. energy: 1.136 local terms energy: -620.837039 where: bonds (distance) C4'-P energy: -117.058 bonds (distance) P-C4' energy: -90.235 flat angles C4'-P-C4' energy: -140.728 flat angles P-C4'-P energy: -87.767 tors. eta vs tors. theta energy: -185.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1948.298459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.298459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.298459 (E_RNA) where: Base-Base interactions energy: -1365.756 where: short stacking energy: -547.841 Base-Backbone interact. energy: -0.640 local terms energy: -581.902668 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -103.083 flat angles C4'-P-C4' energy: -131.991 flat angles P-C4'-P energy: -89.437 tors. eta vs tors. theta energy: -158.494 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: 383 Temperature: 1.300000 Total energy: -1720.804836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.804836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.804836 (E_RNA) where: Base-Base interactions energy: -1183.267 where: short stacking energy: -484.198 Base-Backbone interact. energy: 0.770 local terms energy: -538.307954 where: bonds (distance) C4'-P energy: -101.231 bonds (distance) P-C4' energy: -108.762 flat angles C4'-P-C4' energy: -128.753 flat angles P-C4'-P energy: -81.568 tors. eta vs tors. theta energy: -117.994 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: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1161.048683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.048683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.048683 (E_RNA) where: Base-Base interactions energy: -754.614 where: short stacking energy: -349.927 Base-Backbone interact. energy: 0.744 local terms energy: -407.179276 where: bonds (distance) C4'-P energy: -83.306 bonds (distance) P-C4' energy: -102.083 flat angles C4'-P-C4' energy: -102.503 flat angles P-C4'-P energy: -64.294 tors. eta vs tors. theta energy: -54.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2700.446740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.446740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.446740 (E_RNA) where: Base-Base interactions energy: -1913.108 where: short stacking energy: -779.328 Base-Backbone interact. energy: -1.111 local terms energy: -786.228585 where: bonds (distance) C4'-P energy: -140.652 bonds (distance) P-C4' energy: -135.129 flat angles C4'-P-C4' energy: -163.625 flat angles P-C4'-P energy: -108.673 tors. eta vs tors. theta energy: -238.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2588.122858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.122858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.122858 (E_RNA) where: Base-Base interactions energy: -1854.465 where: short stacking energy: -760.816 Base-Backbone interact. energy: 1.660 local terms energy: -735.317838 where: bonds (distance) C4'-P energy: -127.125 bonds (distance) P-C4' energy: -130.293 flat angles C4'-P-C4' energy: -145.233 flat angles P-C4'-P energy: -109.024 tors. eta vs tors. theta energy: -223.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2533.140196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.140196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.140196 (E_RNA) where: Base-Base interactions energy: -1788.932 where: short stacking energy: -747.191 Base-Backbone interact. energy: 4.839 local terms energy: -749.047112 where: bonds (distance) C4'-P energy: -116.503 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -152.770 flat angles P-C4'-P energy: -107.993 tors. eta vs tors. theta energy: -236.550 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: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2429.686709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.686709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.686709 (E_RNA) where: Base-Base interactions energy: -1741.492 where: short stacking energy: -715.334 Base-Backbone interact. energy: -1.302 local terms energy: -686.892658 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -118.561 flat angles C4'-P-C4' energy: -146.956 flat angles P-C4'-P energy: -82.663 tors. eta vs tors. theta energy: -224.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2370.190627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.190627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.190627 (E_RNA) where: Base-Base interactions energy: -1677.715 where: short stacking energy: -686.982 Base-Backbone interact. energy: -2.922 local terms energy: -689.553164 where: bonds (distance) C4'-P energy: -121.544 bonds (distance) P-C4' energy: -119.970 flat angles C4'-P-C4' energy: -145.125 flat angles P-C4'-P energy: -98.039 tors. eta vs tors. theta energy: -204.875 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: 384 Temperature: 1.150000 Total energy: -2237.388199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.388199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.388199 (E_RNA) where: Base-Base interactions energy: -1588.142 where: short stacking energy: -659.101 Base-Backbone interact. energy: 2.153 local terms energy: -651.399358 where: bonds (distance) C4'-P energy: -99.866 bonds (distance) P-C4' energy: -110.606 flat angles C4'-P-C4' energy: -135.332 flat angles P-C4'-P energy: -96.386 tors. eta vs tors. theta energy: -209.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2116.289621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.289621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.289621 (E_RNA) where: Base-Base interactions energy: -1470.212 where: short stacking energy: -629.869 Base-Backbone interact. energy: -1.028 local terms energy: -645.049092 where: bonds (distance) C4'-P energy: -129.721 bonds (distance) P-C4' energy: -102.346 flat angles C4'-P-C4' energy: -135.940 flat angles P-C4'-P energy: -92.024 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: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1974.425171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.425171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.425171 (E_RNA) where: Base-Base interactions energy: -1403.815 where: short stacking energy: -582.750 Base-Backbone interact. energy: -1.018 local terms energy: -569.591989 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -106.727 flat angles C4'-P-C4' energy: -120.268 flat angles P-C4'-P energy: -84.092 tors. eta vs tors. theta energy: -159.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1690.498116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.498116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.498116 (E_RNA) where: Base-Base interactions energy: -1151.912 where: short stacking energy: -487.030 Base-Backbone interact. energy: -1.780 local terms energy: -536.806580 where: bonds (distance) C4'-P energy: -105.195 bonds (distance) P-C4' energy: -105.117 flat angles C4'-P-C4' energy: -110.352 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -129.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1125.329266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.329266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.329266 (E_RNA) where: Base-Base interactions energy: -696.610 where: short stacking energy: -294.813 Base-Backbone interact. energy: -0.897 local terms energy: -427.821978 where: bonds (distance) C4'-P energy: -104.896 bonds (distance) P-C4' energy: -110.300 flat angles C4'-P-C4' energy: -105.051 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -39.981 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: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2667.604555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.604555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.604555 (E_RNA) where: Base-Base interactions energy: -1893.681 where: short stacking energy: -758.692 Base-Backbone interact. energy: 0.932 local terms energy: -774.855483 where: bonds (distance) C4'-P energy: -134.798 bonds (distance) P-C4' energy: -139.528 flat angles C4'-P-C4' energy: -160.217 flat angles P-C4'-P energy: -110.526 tors. eta vs tors. theta energy: -229.787 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: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2605.111208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.111208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.111208 (E_RNA) where: Base-Base interactions energy: -1854.222 where: short stacking energy: -772.454 Base-Backbone interact. energy: -1.846 local terms energy: -749.043766 where: bonds (distance) C4'-P energy: -127.849 bonds (distance) P-C4' energy: -129.985 flat angles C4'-P-C4' energy: -156.503 flat angles P-C4'-P energy: -103.960 tors. eta vs tors. theta energy: -230.747 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: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2502.364788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.364788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.364788 (E_RNA) where: Base-Base interactions energy: -1772.722 where: short stacking energy: -749.991 Base-Backbone interact. energy: -0.613 local terms energy: -729.030096 where: bonds (distance) C4'-P energy: -116.696 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -144.659 flat angles P-C4'-P energy: -112.961 tors. eta vs tors. theta energy: -227.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2462.740436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.740436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.740436 (E_RNA) where: Base-Base interactions energy: -1750.001 where: short stacking energy: -708.349 Base-Backbone interact. energy: 0.646 local terms energy: -713.385787 where: bonds (distance) C4'-P energy: -127.499 bonds (distance) P-C4' energy: -129.732 flat angles C4'-P-C4' energy: -147.648 flat angles P-C4'-P energy: -96.470 tors. eta vs tors. theta energy: -212.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2299.677816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.677816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.677816 (E_RNA) where: Base-Base interactions energy: -1637.141 where: short stacking energy: -646.706 Base-Backbone interact. energy: -1.249 local terms energy: -661.288019 where: bonds (distance) C4'-P energy: -105.201 bonds (distance) P-C4' energy: -118.804 flat angles C4'-P-C4' energy: -145.725 flat angles P-C4'-P energy: -87.492 tors. eta vs tors. theta energy: -204.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2312.666227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.666227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.666227 (E_RNA) where: Base-Base interactions energy: -1636.980 where: short stacking energy: -682.216 Base-Backbone interact. energy: 1.804 local terms energy: -677.490425 where: bonds (distance) C4'-P energy: -94.208 bonds (distance) P-C4' energy: -121.500 flat angles C4'-P-C4' energy: -144.081 flat angles P-C4'-P energy: -108.712 tors. eta vs tors. theta energy: -208.990 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: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2137.150134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.150134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.150134 (E_RNA) where: Base-Base interactions energy: -1536.281 where: short stacking energy: -609.630 Base-Backbone interact. energy: -0.728 local terms energy: -600.141514 where: bonds (distance) C4'-P energy: -104.480 bonds (distance) P-C4' energy: -110.554 flat angles C4'-P-C4' energy: -125.862 flat angles P-C4'-P energy: -88.441 tors. eta vs tors. theta energy: -170.805 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: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1921.344088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.344088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.344088 (E_RNA) where: Base-Base interactions energy: -1336.314 where: short stacking energy: -571.701 Base-Backbone interact. energy: 3.660 local terms energy: -588.689200 where: bonds (distance) C4'-P energy: -91.983 bonds (distance) P-C4' energy: -116.590 flat angles C4'-P-C4' energy: -138.165 flat angles P-C4'-P energy: -75.973 tors. eta vs tors. theta energy: -165.978 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: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1712.057961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.057961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.057961 (E_RNA) where: Base-Base interactions energy: -1170.322 where: short stacking energy: -501.661 Base-Backbone interact. energy: -1.247 local terms energy: -540.489811 where: bonds (distance) C4'-P energy: -128.415 bonds (distance) P-C4' energy: -111.793 flat angles C4'-P-C4' energy: -107.339 flat angles P-C4'-P energy: -65.556 tors. eta vs tors. theta energy: -127.386 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: 385 Temperature: 1.350000 Total energy: -1056.831508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.831508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.831508 (E_RNA) where: Base-Base interactions energy: -637.792 where: short stacking energy: -259.437 Base-Backbone interact. energy: 1.087 local terms energy: -420.126179 where: bonds (distance) C4'-P energy: -104.878 bonds (distance) P-C4' energy: -114.011 flat angles C4'-P-C4' energy: -110.143 flat angles P-C4'-P energy: -65.137 tors. eta vs tors. theta energy: -25.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2700.385193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.385193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.385193 (E_RNA) where: Base-Base interactions energy: -1913.703 where: short stacking energy: -775.570 Base-Backbone interact. energy: -1.374 local terms energy: -785.308297 where: bonds (distance) C4'-P energy: -142.488 bonds (distance) P-C4' energy: -125.195 flat angles C4'-P-C4' energy: -168.262 flat angles P-C4'-P energy: -110.431 tors. eta vs tors. theta energy: -238.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2597.032814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.032814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.032814 (E_RNA) where: Base-Base interactions energy: -1843.430 where: short stacking energy: -756.684 Base-Backbone interact. energy: -3.205 local terms energy: -750.397499 where: bonds (distance) C4'-P energy: -127.734 bonds (distance) P-C4' energy: -139.673 flat angles C4'-P-C4' energy: -154.691 flat angles P-C4'-P energy: -98.356 tors. eta vs tors. theta energy: -229.944 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: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2512.217783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.217783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.217783 (E_RNA) where: Base-Base interactions energy: -1789.355 where: short stacking energy: -724.071 Base-Backbone interact. energy: -2.418 local terms energy: -720.445346 where: bonds (distance) C4'-P energy: -135.352 bonds (distance) P-C4' energy: -125.316 flat angles C4'-P-C4' energy: -151.427 flat angles P-C4'-P energy: -87.364 tors. eta vs tors. theta energy: -220.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2490.473479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.473479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.473479 (E_RNA) where: Base-Base interactions energy: -1778.332 where: short stacking energy: -737.614 Base-Backbone interact. energy: 0.374 local terms energy: -712.515547 where: bonds (distance) C4'-P energy: -99.615 bonds (distance) P-C4' energy: -133.201 flat angles C4'-P-C4' energy: -149.635 flat angles P-C4'-P energy: -98.556 tors. eta vs tors. theta energy: -231.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2356.303709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.303709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.303709 (E_RNA) where: Base-Base interactions energy: -1694.854 where: short stacking energy: -686.196 Base-Backbone interact. energy: 3.962 local terms energy: -665.412008 where: bonds (distance) C4'-P energy: -117.102 bonds (distance) P-C4' energy: -114.454 flat angles C4'-P-C4' energy: -135.289 flat angles P-C4'-P energy: -95.841 tors. eta vs tors. theta energy: -202.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2219.054302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.054302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.054302 (E_RNA) where: Base-Base interactions energy: -1559.197 where: short stacking energy: -627.718 Base-Backbone interact. energy: -1.474 local terms energy: -658.383431 where: bonds (distance) C4'-P energy: -119.989 bonds (distance) P-C4' energy: -118.318 flat angles C4'-P-C4' energy: -151.973 flat angles P-C4'-P energy: -84.312 tors. eta vs tors. theta energy: -183.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2125.446988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.446988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.446988 (E_RNA) where: Base-Base interactions energy: -1515.666 where: short stacking energy: -583.406 Base-Backbone interact. energy: 0.046 local terms energy: -609.827284 where: bonds (distance) C4'-P energy: -113.892 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -138.828 flat angles P-C4'-P energy: -84.506 tors. eta vs tors. theta energy: -169.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1933.936973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.936973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.936973 (E_RNA) where: Base-Base interactions energy: -1342.473 where: short stacking energy: -556.988 Base-Backbone interact. energy: 4.358 local terms energy: -595.822781 where: bonds (distance) C4'-P energy: -102.499 bonds (distance) P-C4' energy: -113.052 flat angles C4'-P-C4' energy: -127.967 flat angles P-C4'-P energy: -86.516 tors. eta vs tors. theta energy: -165.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1667.490349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.490349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.490349 (E_RNA) where: Base-Base interactions energy: -1146.266 where: short stacking energy: -472.006 Base-Backbone interact. energy: 0.189 local terms energy: -521.413560 where: bonds (distance) C4'-P energy: -108.225 bonds (distance) P-C4' energy: -99.632 flat angles C4'-P-C4' energy: -126.020 flat angles P-C4'-P energy: -73.470 tors. eta vs tors. theta energy: -114.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1173.427982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.427982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.427982 (E_RNA) where: Base-Base interactions energy: -758.697 where: short stacking energy: -313.075 Base-Backbone interact. energy: -1.445 local terms energy: -413.286097 where: bonds (distance) C4'-P energy: -102.537 bonds (distance) P-C4' energy: -100.103 flat angles C4'-P-C4' energy: -90.802 flat angles P-C4'-P energy: -75.934 tors. eta vs tors. theta energy: -43.910 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: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2684.914736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.914736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.914736 (E_RNA) where: Base-Base interactions energy: -1894.215 where: short stacking energy: -775.408 Base-Backbone interact. energy: -0.139 local terms energy: -790.560282 where: bonds (distance) C4'-P energy: -136.787 bonds (distance) P-C4' energy: -146.235 flat angles C4'-P-C4' energy: -154.907 flat angles P-C4'-P energy: -113.037 tors. eta vs tors. theta energy: -239.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2548.982879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.982879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.982879 (E_RNA) where: Base-Base interactions energy: -1800.998 where: short stacking energy: -747.461 Base-Backbone interact. energy: -0.361 local terms energy: -747.623925 where: bonds (distance) C4'-P energy: -124.957 bonds (distance) P-C4' energy: -128.403 flat angles C4'-P-C4' energy: -166.435 flat angles P-C4'-P energy: -99.953 tors. eta vs tors. theta energy: -227.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2493.198592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.198592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.198592 (E_RNA) where: Base-Base interactions energy: -1758.756 where: short stacking energy: -738.166 Base-Backbone interact. energy: -2.038 local terms energy: -732.405007 where: bonds (distance) C4'-P energy: -131.328 bonds (distance) P-C4' energy: -135.454 flat angles C4'-P-C4' energy: -147.440 flat angles P-C4'-P energy: -107.171 tors. eta vs tors. theta energy: -211.012 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: 4, replica: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2471.188992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.188992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.188992 (E_RNA) where: Base-Base interactions energy: -1754.237 where: short stacking energy: -715.093 Base-Backbone interact. energy: -2.674 local terms energy: -714.278607 where: bonds (distance) C4'-P energy: -133.635 bonds (distance) P-C4' energy: -116.808 flat angles C4'-P-C4' energy: -142.627 flat angles P-C4'-P energy: -96.664 tors. eta vs tors. theta energy: -224.544 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: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2390.329952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.329952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.329952 (E_RNA) where: Base-Base interactions energy: -1742.128 where: short stacking energy: -704.015 Base-Backbone interact. energy: -0.200 local terms energy: -648.001908 where: bonds (distance) C4'-P energy: -104.092 bonds (distance) P-C4' energy: -112.674 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -209.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2212.763216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.763216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.763216 (E_RNA) where: Base-Base interactions energy: -1544.073 where: short stacking energy: -640.875 Base-Backbone interact. energy: 1.774 local terms energy: -670.464185 where: bonds (distance) C4'-P energy: -128.888 bonds (distance) P-C4' energy: -120.093 flat angles C4'-P-C4' energy: -137.783 flat angles P-C4'-P energy: -93.920 tors. eta vs tors. theta energy: -189.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2086.780346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.780346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.780346 (E_RNA) where: Base-Base interactions energy: -1505.932 where: short stacking energy: -617.139 Base-Backbone interact. energy: -1.404 local terms energy: -579.444657 where: bonds (distance) C4'-P energy: -98.175 bonds (distance) P-C4' energy: -105.623 flat angles C4'-P-C4' energy: -117.640 flat angles P-C4'-P energy: -97.916 tors. eta vs tors. theta energy: -160.090 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: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1873.953296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.953296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.953296 (E_RNA) where: Base-Base interactions energy: -1290.696 where: short stacking energy: -552.880 Base-Backbone interact. energy: 3.100 local terms energy: -586.356742 where: bonds (distance) C4'-P energy: -106.970 bonds (distance) P-C4' energy: -107.608 flat angles C4'-P-C4' energy: -137.306 flat angles P-C4'-P energy: -83.762 tors. eta vs tors. theta energy: -150.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1669.404592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.404592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.404592 (E_RNA) where: Base-Base interactions energy: -1144.490 where: short stacking energy: -478.607 Base-Backbone interact. energy: -1.431 local terms energy: -523.484002 where: bonds (distance) C4'-P energy: -103.603 bonds (distance) P-C4' energy: -106.997 flat angles C4'-P-C4' energy: -114.899 flat angles P-C4'-P energy: -84.230 tors. eta vs tors. theta energy: -113.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1166.172278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.172278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.172278 (E_RNA) where: Base-Base interactions energy: -754.671 where: short stacking energy: -320.844 Base-Backbone interact. energy: 1.484 local terms energy: -412.985066 where: bonds (distance) C4'-P energy: -89.550 bonds (distance) P-C4' energy: -100.451 flat angles C4'-P-C4' energy: -97.343 flat angles P-C4'-P energy: -65.925 tors. eta vs tors. theta energy: -59.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2679.053555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.053555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.053555 (E_RNA) where: Base-Base interactions energy: -1906.363 where: short stacking energy: -770.281 Base-Backbone interact. energy: -3.045 local terms energy: -769.646054 where: bonds (distance) C4'-P energy: -119.388 bonds (distance) P-C4' energy: -143.269 flat angles C4'-P-C4' energy: -158.724 flat angles P-C4'-P energy: -118.752 tors. eta vs tors. theta energy: -229.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2557.466828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.466828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.466828 (E_RNA) where: Base-Base interactions energy: -1821.491 where: short stacking energy: -756.456 Base-Backbone interact. energy: -3.717 local terms energy: -732.258985 where: bonds (distance) C4'-P energy: -130.478 bonds (distance) P-C4' energy: -125.348 flat angles C4'-P-C4' energy: -154.691 flat angles P-C4'-P energy: -104.643 tors. eta vs tors. theta energy: -217.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2527.295508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.295508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.295508 (E_RNA) where: Base-Base interactions energy: -1790.583 where: short stacking energy: -749.492 Base-Backbone interact. energy: -1.437 local terms energy: -735.275568 where: bonds (distance) C4'-P energy: -117.538 bonds (distance) P-C4' energy: -130.831 flat angles C4'-P-C4' energy: -155.653 flat angles P-C4'-P energy: -97.986 tors. eta vs tors. theta energy: -233.267 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: 388 Temperature: 1.050000 Total energy: -2454.686301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.686301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.686301 (E_RNA) where: Base-Base interactions energy: -1746.147 where: short stacking energy: -725.171 Base-Backbone interact. energy: -0.104 local terms energy: -708.435071 where: bonds (distance) C4'-P energy: -115.170 bonds (distance) P-C4' energy: -130.117 flat angles C4'-P-C4' energy: -151.379 flat angles P-C4'-P energy: -95.217 tors. eta vs tors. theta energy: -216.552 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: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2388.119748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.119748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.119748 (E_RNA) where: Base-Base interactions energy: -1701.606 where: short stacking energy: -681.177 Base-Backbone interact. energy: 4.966 local terms energy: -691.479552 where: bonds (distance) C4'-P energy: -114.030 bonds (distance) P-C4' energy: -126.889 flat angles C4'-P-C4' energy: -146.384 flat angles P-C4'-P energy: -93.696 tors. eta vs tors. theta energy: -210.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2240.783713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.783713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.783713 (E_RNA) where: Base-Base interactions energy: -1606.081 where: short stacking energy: -636.029 Base-Backbone interact. energy: -0.702 local terms energy: -634.001344 where: bonds (distance) C4'-P energy: -100.590 bonds (distance) P-C4' energy: -119.688 flat angles C4'-P-C4' energy: -140.053 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -184.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2194.162524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.162524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.162524 (E_RNA) where: Base-Base interactions energy: -1587.970 where: short stacking energy: -649.124 Base-Backbone interact. energy: 5.829 local terms energy: -612.021956 where: bonds (distance) C4'-P energy: -97.447 bonds (distance) P-C4' energy: -111.660 flat angles C4'-P-C4' energy: -131.730 flat angles P-C4'-P energy: -91.467 tors. eta vs tors. theta energy: -179.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1863.395087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.395087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.395087 (E_RNA) where: Base-Base interactions energy: -1289.436 where: short stacking energy: -515.002 Base-Backbone interact. energy: -2.870 local terms energy: -571.088915 where: bonds (distance) C4'-P energy: -102.981 bonds (distance) P-C4' energy: -108.168 flat angles C4'-P-C4' energy: -132.833 flat angles P-C4'-P energy: -95.588 tors. eta vs tors. theta energy: -131.519 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: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1728.560630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.560630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.560630 (E_RNA) where: Base-Base interactions energy: -1185.703 where: short stacking energy: -475.629 Base-Backbone interact. energy: -0.516 local terms energy: -542.341260 where: bonds (distance) C4'-P energy: -89.494 bonds (distance) P-C4' energy: -130.384 flat angles C4'-P-C4' energy: -116.441 flat angles P-C4'-P energy: -84.234 tors. eta vs tors. theta energy: -121.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1258.729057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.729057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.729057 (E_RNA) where: Base-Base interactions energy: -768.577 where: short stacking energy: -356.367 Base-Backbone interact. energy: 0.070 local terms energy: -490.221899 where: bonds (distance) C4'-P energy: -95.810 bonds (distance) P-C4' energy: -119.233 flat angles C4'-P-C4' energy: -136.090 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -67.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2689.020219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.020219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.020219 (E_RNA) where: Base-Base interactions energy: -1913.474 where: short stacking energy: -773.747 Base-Backbone interact. energy: -2.535 local terms energy: -773.011705 where: bonds (distance) C4'-P energy: -139.743 bonds (distance) P-C4' energy: -133.983 flat angles C4'-P-C4' energy: -158.342 flat angles P-C4'-P energy: -112.289 tors. eta vs tors. theta energy: -228.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2582.487323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.487323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.487323 (E_RNA) where: Base-Base interactions energy: -1834.639 where: short stacking energy: -776.176 Base-Backbone interact. energy: 3.139 local terms energy: -750.987284 where: bonds (distance) C4'-P energy: -133.540 bonds (distance) P-C4' energy: -117.432 flat angles C4'-P-C4' energy: -158.539 flat angles P-C4'-P energy: -110.617 tors. eta vs tors. theta energy: -230.860 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: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2538.276605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.276605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.276605 (E_RNA) where: Base-Base interactions energy: -1795.304 where: short stacking energy: -733.768 Base-Backbone interact. energy: 0.032 local terms energy: -743.004215 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -134.196 flat angles C4'-P-C4' energy: -155.993 flat angles P-C4'-P energy: -108.050 tors. eta vs tors. theta energy: -221.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2466.127216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.127216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.127216 (E_RNA) where: Base-Base interactions energy: -1752.902 where: short stacking energy: -692.166 Base-Backbone interact. energy: -2.369 local terms energy: -710.855613 where: bonds (distance) C4'-P energy: -126.116 bonds (distance) P-C4' energy: -121.560 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -103.517 tors. eta vs tors. theta energy: -211.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2324.672073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.672073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.672073 (E_RNA) where: Base-Base interactions energy: -1653.148 where: short stacking energy: -652.856 Base-Backbone interact. energy: -3.681 local terms energy: -667.843592 where: bonds (distance) C4'-P energy: -126.551 bonds (distance) P-C4' energy: -127.958 flat angles C4'-P-C4' energy: -140.419 flat angles P-C4'-P energy: -84.382 tors. eta vs tors. theta energy: -188.534 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: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2185.500882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.500882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.500882 (E_RNA) where: Base-Base interactions energy: -1524.193 where: short stacking energy: -613.950 Base-Backbone interact. energy: -1.201 local terms energy: -660.106212 where: bonds (distance) C4'-P energy: -113.747 bonds (distance) P-C4' energy: -114.793 flat angles C4'-P-C4' energy: -140.472 flat angles P-C4'-P energy: -97.835 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: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2194.808445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.808445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.808445 (E_RNA) where: Base-Base interactions energy: -1564.722 where: short stacking energy: -605.215 Base-Backbone interact. energy: -2.342 local terms energy: -627.744620 where: bonds (distance) C4'-P energy: -100.321 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -140.059 flat angles P-C4'-P energy: -98.158 tors. eta vs tors. theta energy: -174.649 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: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1936.826343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.826343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.826343 (E_RNA) where: Base-Base interactions energy: -1377.130 where: short stacking energy: -571.058 Base-Backbone interact. energy: -0.227 local terms energy: -559.469661 where: bonds (distance) C4'-P energy: -103.869 bonds (distance) P-C4' energy: -104.148 flat angles C4'-P-C4' energy: -127.220 flat angles P-C4'-P energy: -76.948 tors. eta vs tors. theta energy: -147.285 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: 389 Temperature: 1.300000 Total energy: -1785.623481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.623481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.623481 (E_RNA) where: Base-Base interactions energy: -1249.861 where: short stacking energy: -513.525 Base-Backbone interact. energy: -1.075 local terms energy: -534.687852 where: bonds (distance) C4'-P energy: -96.379 bonds (distance) P-C4' energy: -93.506 flat angles C4'-P-C4' energy: -112.493 flat angles P-C4'-P energy: -93.966 tors. eta vs tors. theta energy: -138.345 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: 389 Temperature: 1.350000 Total energy: -1212.623206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.623206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.623206 (E_RNA) where: Base-Base interactions energy: -788.183 where: short stacking energy: -342.370 Base-Backbone interact. energy: 4.401 local terms energy: -428.841136 where: bonds (distance) C4'-P energy: -101.290 bonds (distance) P-C4' energy: -94.936 flat angles C4'-P-C4' energy: -110.086 flat angles P-C4'-P energy: -65.394 tors. eta vs tors. theta energy: -57.136 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: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2698.244894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.244894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.244894 (E_RNA) where: Base-Base interactions energy: -1919.276 where: short stacking energy: -783.902 Base-Backbone interact. energy: -2.907 local terms energy: -776.061026 where: bonds (distance) C4'-P energy: -135.380 bonds (distance) P-C4' energy: -130.637 flat angles C4'-P-C4' energy: -157.628 flat angles P-C4'-P energy: -112.837 tors. eta vs tors. theta energy: -239.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2589.442530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.442530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.442530 (E_RNA) where: Base-Base interactions energy: -1838.627 where: short stacking energy: -759.605 Base-Backbone interact. energy: -0.780 local terms energy: -750.036053 where: bonds (distance) C4'-P energy: -135.785 bonds (distance) P-C4' energy: -113.246 flat angles C4'-P-C4' energy: -154.965 flat angles P-C4'-P energy: -107.846 tors. eta vs tors. theta energy: -238.194 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: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2518.210886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.210886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.210886 (E_RNA) where: Base-Base interactions energy: -1789.316 where: short stacking energy: -730.046 Base-Backbone interact. energy: -2.570 local terms energy: -726.324837 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -125.135 flat angles C4'-P-C4' energy: -155.073 flat angles P-C4'-P energy: -104.617 tors. eta vs tors. theta energy: -229.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2474.316665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.316665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.316665 (E_RNA) where: Base-Base interactions energy: -1753.960 where: short stacking energy: -713.534 Base-Backbone interact. energy: -3.146 local terms energy: -717.211115 where: bonds (distance) C4'-P energy: -117.141 bonds (distance) P-C4' energy: -125.223 flat angles C4'-P-C4' energy: -141.171 flat angles P-C4'-P energy: -108.403 tors. eta vs tors. theta energy: -225.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2382.656806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.656806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.656806 (E_RNA) where: Base-Base interactions energy: -1694.689 where: short stacking energy: -696.926 Base-Backbone interact. energy: -0.107 local terms energy: -687.860757 where: bonds (distance) C4'-P energy: -120.578 bonds (distance) P-C4' energy: -131.470 flat angles C4'-P-C4' energy: -144.181 flat angles P-C4'-P energy: -92.858 tors. eta vs tors. theta energy: -198.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2215.643555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.643555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.643555 (E_RNA) where: Base-Base interactions energy: -1536.639 where: short stacking energy: -627.504 Base-Backbone interact. energy: -0.980 local terms energy: -678.024082 where: bonds (distance) C4'-P energy: -115.529 bonds (distance) P-C4' energy: -127.894 flat angles C4'-P-C4' energy: -147.523 flat angles P-C4'-P energy: -89.825 tors. eta vs tors. theta energy: -197.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2195.415725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.415725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.415725 (E_RNA) where: Base-Base interactions energy: -1598.785 where: short stacking energy: -634.556 Base-Backbone interact. energy: 1.545 local terms energy: -598.175738 where: bonds (distance) C4'-P energy: -103.488 bonds (distance) P-C4' energy: -108.464 flat angles C4'-P-C4' energy: -125.857 flat angles P-C4'-P energy: -87.152 tors. eta vs tors. theta energy: -173.215 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: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1962.536235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.536235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.536235 (E_RNA) where: Base-Base interactions energy: -1356.938 where: short stacking energy: -542.357 Base-Backbone interact. energy: 1.580 local terms energy: -607.178821 where: bonds (distance) C4'-P energy: -118.678 bonds (distance) P-C4' energy: -110.936 flat angles C4'-P-C4' energy: -124.196 flat angles P-C4'-P energy: -97.067 tors. eta vs tors. theta energy: -156.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1801.844393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.844393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.844393 (E_RNA) where: Base-Base interactions energy: -1252.449 where: short stacking energy: -533.047 Base-Backbone interact. energy: -2.207 local terms energy: -547.187691 where: bonds (distance) C4'-P energy: -111.571 bonds (distance) P-C4' energy: -103.600 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -139.906 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: 390 Temperature: 1.350000 Total energy: -1224.784322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.784322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.784322 (E_RNA) where: Base-Base interactions energy: -792.732 where: short stacking energy: -346.912 Base-Backbone interact. energy: 6.080 local terms energy: -438.132335 where: bonds (distance) C4'-P energy: -110.691 bonds (distance) P-C4' energy: -106.420 flat angles C4'-P-C4' energy: -110.243 flat angles P-C4'-P energy: -61.098 tors. eta vs tors. theta energy: -49.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2690.146508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.146508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.146508 (E_RNA) where: Base-Base interactions energy: -1891.966 where: short stacking energy: -773.619 Base-Backbone interact. energy: -0.827 local terms energy: -797.352633 where: bonds (distance) C4'-P energy: -145.556 bonds (distance) P-C4' energy: -134.300 flat angles C4'-P-C4' energy: -163.492 flat angles P-C4'-P energy: -112.017 tors. eta vs tors. theta energy: -241.989 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: 391 Temperature: 0.950000 Total energy: -2573.156133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.156133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.156133 (E_RNA) where: Base-Base interactions energy: -1798.585 where: short stacking energy: -748.387 Base-Backbone interact. energy: -0.268 local terms energy: -774.302514 where: bonds (distance) C4'-P energy: -128.371 bonds (distance) P-C4' energy: -136.806 flat angles C4'-P-C4' energy: -161.394 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -235.851 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: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2518.691995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.691995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.691995 (E_RNA) where: Base-Base interactions energy: -1794.068 where: short stacking energy: -736.787 Base-Backbone interact. energy: -2.592 local terms energy: -722.032373 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -154.797 flat angles P-C4'-P energy: -90.372 tors. eta vs tors. theta energy: -223.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2471.564466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.564466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.564466 (E_RNA) where: Base-Base interactions energy: -1772.275 where: short stacking energy: -709.434 Base-Backbone interact. energy: -1.115 local terms energy: -698.174712 where: bonds (distance) C4'-P energy: -113.364 bonds (distance) P-C4' energy: -118.224 flat angles C4'-P-C4' energy: -145.828 flat angles P-C4'-P energy: -102.637 tors. eta vs tors. theta energy: -218.122 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: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2358.899821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.899821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.899821 (E_RNA) where: Base-Base interactions energy: -1705.166 where: short stacking energy: -704.933 Base-Backbone interact. energy: -5.967 local terms energy: -647.766329 where: bonds (distance) C4'-P energy: -122.339 bonds (distance) P-C4' energy: -110.143 flat angles C4'-P-C4' energy: -143.845 flat angles P-C4'-P energy: -65.846 tors. eta vs tors. theta energy: -205.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2245.395610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.395610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.395610 (E_RNA) where: Base-Base interactions energy: -1580.888 where: short stacking energy: -652.623 Base-Backbone interact. energy: -3.410 local terms energy: -661.098362 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -129.147 flat angles C4'-P-C4' energy: -131.815 flat angles P-C4'-P energy: -97.334 tors. eta vs tors. theta energy: -204.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2163.634508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.634508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.634508 (E_RNA) where: Base-Base interactions energy: -1566.719 where: short stacking energy: -654.342 Base-Backbone interact. energy: -0.139 local terms energy: -596.777277 where: bonds (distance) C4'-P energy: -94.895 bonds (distance) P-C4' energy: -104.315 flat angles C4'-P-C4' energy: -143.983 flat angles P-C4'-P energy: -73.812 tors. eta vs tors. theta energy: -179.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1937.932289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.932289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.932289 (E_RNA) where: Base-Base interactions energy: -1338.408 where: short stacking energy: -546.485 Base-Backbone interact. energy: 0.155 local terms energy: -599.679547 where: bonds (distance) C4'-P energy: -97.493 bonds (distance) P-C4' energy: -132.014 flat angles C4'-P-C4' energy: -138.913 flat angles P-C4'-P energy: -65.602 tors. eta vs tors. theta energy: -165.658 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: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1722.867136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.867136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.867136 (E_RNA) where: Base-Base interactions energy: -1166.902 where: short stacking energy: -481.470 Base-Backbone interact. energy: -0.529 local terms energy: -555.436760 where: bonds (distance) C4'-P energy: -110.390 bonds (distance) P-C4' energy: -116.852 flat angles C4'-P-C4' energy: -118.907 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: -134.869 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: 391 Temperature: 1.350000 Total energy: -1332.117024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.117024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.117024 (E_RNA) where: Base-Base interactions energy: -879.909 where: short stacking energy: -382.542 Base-Backbone interact. energy: -3.090 local terms energy: -449.118079 where: bonds (distance) C4'-P energy: -92.827 bonds (distance) P-C4' energy: -114.761 flat angles C4'-P-C4' energy: -102.072 flat angles P-C4'-P energy: -58.566 tors. eta vs tors. theta energy: -80.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2720.016081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.016081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.016081 (E_RNA) where: Base-Base interactions energy: -1924.307 where: short stacking energy: -796.603 Base-Backbone interact. energy: -1.491 local terms energy: -794.218353 where: bonds (distance) C4'-P energy: -124.820 bonds (distance) P-C4' energy: -148.348 flat angles C4'-P-C4' energy: -174.570 flat angles P-C4'-P energy: -107.826 tors. eta vs tors. theta energy: -238.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2539.846550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.846550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.846550 (E_RNA) where: Base-Base interactions energy: -1777.616 where: short stacking energy: -757.185 Base-Backbone interact. energy: -1.582 local terms energy: -760.648599 where: bonds (distance) C4'-P energy: -135.535 bonds (distance) P-C4' energy: -132.407 flat angles C4'-P-C4' energy: -156.465 flat angles P-C4'-P energy: -106.274 tors. eta vs tors. theta energy: -229.968 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: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2503.272868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.272868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.272868 (E_RNA) where: Base-Base interactions energy: -1772.587 where: short stacking energy: -732.246 Base-Backbone interact. energy: -2.429 local terms energy: -728.256884 where: bonds (distance) C4'-P energy: -117.229 bonds (distance) P-C4' energy: -124.225 flat angles C4'-P-C4' energy: -154.681 flat angles P-C4'-P energy: -103.530 tors. eta vs tors. theta energy: -228.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2463.362657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.362657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.362657 (E_RNA) where: Base-Base interactions energy: -1760.775 where: short stacking energy: -695.573 Base-Backbone interact. energy: -0.346 local terms energy: -702.241784 where: bonds (distance) C4'-P energy: -128.873 bonds (distance) P-C4' energy: -115.408 flat angles C4'-P-C4' energy: -147.059 flat angles P-C4'-P energy: -101.346 tors. eta vs tors. theta energy: -209.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2358.887620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.887620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.887620 (E_RNA) where: Base-Base interactions energy: -1655.510 where: short stacking energy: -671.993 Base-Backbone interact. energy: -3.143 local terms energy: -700.234649 where: bonds (distance) C4'-P energy: -129.823 bonds (distance) P-C4' energy: -128.612 flat angles C4'-P-C4' energy: -149.634 flat angles P-C4'-P energy: -93.484 tors. eta vs tors. theta energy: -198.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2225.716917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.716917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.716917 (E_RNA) where: Base-Base interactions energy: -1582.930 where: short stacking energy: -655.667 Base-Backbone interact. energy: 0.792 local terms energy: -643.579088 where: bonds (distance) C4'-P energy: -122.274 bonds (distance) P-C4' energy: -111.149 flat angles C4'-P-C4' energy: -135.090 flat angles P-C4'-P energy: -80.159 tors. eta vs tors. theta energy: -194.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2117.893570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.893570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.893570 (E_RNA) where: Base-Base interactions energy: -1478.243 where: short stacking energy: -604.132 Base-Backbone interact. energy: 0.077 local terms energy: -639.727131 where: bonds (distance) C4'-P energy: -129.506 bonds (distance) P-C4' energy: -119.440 flat angles C4'-P-C4' energy: -131.891 flat angles P-C4'-P energy: -97.926 tors. eta vs tors. theta energy: -160.965 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: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1919.741199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.741199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.741199 (E_RNA) where: Base-Base interactions energy: -1346.708 where: short stacking energy: -546.065 Base-Backbone interact. energy: 6.141 local terms energy: -579.174791 where: bonds (distance) C4'-P energy: -100.757 bonds (distance) P-C4' energy: -107.966 flat angles C4'-P-C4' energy: -128.084 flat angles P-C4'-P energy: -95.455 tors. eta vs tors. theta energy: -146.913 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: 392 Temperature: 1.300000 Total energy: -1712.475409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.475409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.475409 (E_RNA) where: Base-Base interactions energy: -1184.369 where: short stacking energy: -472.948 Base-Backbone interact. energy: 0.299 local terms energy: -528.406084 where: bonds (distance) C4'-P energy: -98.227 bonds (distance) P-C4' energy: -119.925 flat angles C4'-P-C4' energy: -116.082 flat angles P-C4'-P energy: -70.682 tors. eta vs tors. theta energy: -123.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1294.743215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.743215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.743215 (E_RNA) where: Base-Base interactions energy: -842.976 where: short stacking energy: -356.637 Base-Backbone interact. energy: 5.733 local terms energy: -457.500336 where: bonds (distance) C4'-P energy: -109.059 bonds (distance) P-C4' energy: -95.689 flat angles C4'-P-C4' energy: -125.245 flat angles P-C4'-P energy: -55.504 tors. eta vs tors. theta energy: -72.003 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: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2704.793104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.793104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.793104 (E_RNA) where: Base-Base interactions energy: -1935.787 where: short stacking energy: -775.235 Base-Backbone interact. energy: -4.710 local terms energy: -764.296004 where: bonds (distance) C4'-P energy: -136.480 bonds (distance) P-C4' energy: -121.911 flat angles C4'-P-C4' energy: -163.761 flat angles P-C4'-P energy: -110.008 tors. eta vs tors. theta energy: -232.137 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: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2558.748867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.748867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.748867 (E_RNA) where: Base-Base interactions energy: -1803.475 where: short stacking energy: -763.993 Base-Backbone interact. energy: 0.147 local terms energy: -755.420328 where: bonds (distance) C4'-P energy: -135.494 bonds (distance) P-C4' energy: -120.879 flat angles C4'-P-C4' energy: -160.145 flat angles P-C4'-P energy: -107.323 tors. eta vs tors. theta energy: -231.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2501.949342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.949342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.949342 (E_RNA) where: Base-Base interactions energy: -1785.782 where: short stacking energy: -752.404 Base-Backbone interact. energy: 0.539 local terms energy: -716.706023 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -114.704 flat angles C4'-P-C4' energy: -154.134 flat angles P-C4'-P energy: -101.375 tors. eta vs tors. theta energy: -221.364 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: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2469.838572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.838572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.838572 (E_RNA) where: Base-Base interactions energy: -1761.889 where: short stacking energy: -708.136 Base-Backbone interact. energy: 4.989 local terms energy: -712.938567 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -115.846 flat angles C4'-P-C4' energy: -151.069 flat angles P-C4'-P energy: -114.395 tors. eta vs tors. theta energy: -208.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2324.714151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.714151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.714151 (E_RNA) where: Base-Base interactions energy: -1667.567 where: short stacking energy: -674.926 Base-Backbone interact. energy: -2.847 local terms energy: -654.300007 where: bonds (distance) C4'-P energy: -116.333 bonds (distance) P-C4' energy: -121.350 flat angles C4'-P-C4' energy: -134.013 flat angles P-C4'-P energy: -85.095 tors. eta vs tors. theta energy: -197.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2224.129030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.129030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.129030 (E_RNA) where: Base-Base interactions energy: -1568.743 where: short stacking energy: -633.758 Base-Backbone interact. energy: 3.292 local terms energy: -658.677533 where: bonds (distance) C4'-P energy: -120.533 bonds (distance) P-C4' energy: -120.473 flat angles C4'-P-C4' energy: -143.374 flat angles P-C4'-P energy: -84.907 tors. eta vs tors. theta energy: -189.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2179.561815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.561815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.561815 (E_RNA) where: Base-Base interactions energy: -1546.873 where: short stacking energy: -623.642 Base-Backbone interact. energy: -1.423 local terms energy: -631.266154 where: bonds (distance) C4'-P energy: -99.344 bonds (distance) P-C4' energy: -104.639 flat angles C4'-P-C4' energy: -140.119 flat angles P-C4'-P energy: -89.536 tors. eta vs tors. theta energy: -197.628 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: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1969.691537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.691537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.691537 (E_RNA) where: Base-Base interactions energy: -1382.057 where: short stacking energy: -592.468 Base-Backbone interact. energy: -1.130 local terms energy: -586.504724 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -110.383 flat angles C4'-P-C4' energy: -136.346 flat angles P-C4'-P energy: -86.223 tors. eta vs tors. theta energy: -163.172 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: 4 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1721.562735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.562735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.562735 (E_RNA) where: Base-Base interactions energy: -1182.255 where: short stacking energy: -480.554 Base-Backbone interact. energy: -0.525 local terms energy: -538.781905 where: bonds (distance) C4'-P energy: -95.523 bonds (distance) P-C4' energy: -115.363 flat angles C4'-P-C4' energy: -130.448 flat angles P-C4'-P energy: -78.389 tors. eta vs tors. theta energy: -119.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1295.494891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.494891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.494891 (E_RNA) where: Base-Base interactions energy: -855.410 where: short stacking energy: -380.241 Base-Backbone interact. energy: 4.674 local terms energy: -444.758845 where: bonds (distance) C4'-P energy: -109.683 bonds (distance) P-C4' energy: -101.208 flat angles C4'-P-C4' energy: -103.500 flat angles P-C4'-P energy: -58.957 tors. eta vs tors. theta energy: -71.410 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: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2707.156771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.156771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.156771 (E_RNA) where: Base-Base interactions energy: -1918.435 where: short stacking energy: -769.404 Base-Backbone interact. energy: -1.605 local terms energy: -787.117333 where: bonds (distance) C4'-P energy: -134.617 bonds (distance) P-C4' energy: -135.973 flat angles C4'-P-C4' energy: -168.733 flat angles P-C4'-P energy: -109.606 tors. eta vs tors. theta energy: -238.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2600.902236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.902236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.902236 (E_RNA) where: Base-Base interactions energy: -1825.171 where: short stacking energy: -762.175 Base-Backbone interact. energy: 1.645 local terms energy: -777.376249 where: bonds (distance) C4'-P energy: -126.347 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -150.232 flat angles P-C4'-P energy: -106.006 tors. eta vs tors. theta energy: -248.660 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: 394 Temperature: 1.000000 Total energy: -2526.770410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.770410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.770410 (E_RNA) where: Base-Base interactions energy: -1815.043 where: short stacking energy: -748.611 Base-Backbone interact. energy: 0.533 local terms energy: -712.260784 where: bonds (distance) C4'-P energy: -117.933 bonds (distance) P-C4' energy: -123.411 flat angles C4'-P-C4' energy: -150.251 flat angles P-C4'-P energy: -104.051 tors. eta vs tors. theta energy: -216.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2490.951401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.951401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.951401 (E_RNA) where: Base-Base interactions energy: -1776.207 where: short stacking energy: -711.909 Base-Backbone interact. energy: 0.165 local terms energy: -714.909080 where: bonds (distance) C4'-P energy: -106.246 bonds (distance) P-C4' energy: -123.046 flat angles C4'-P-C4' energy: -151.239 flat angles P-C4'-P energy: -113.537 tors. eta vs tors. theta energy: -220.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2345.819963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.819963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.819963 (E_RNA) where: Base-Base interactions energy: -1660.988 where: short stacking energy: -643.176 Base-Backbone interact. energy: -0.862 local terms energy: -683.969845 where: bonds (distance) C4'-P energy: -117.244 bonds (distance) P-C4' energy: -127.174 flat angles C4'-P-C4' energy: -145.567 flat angles P-C4'-P energy: -98.691 tors. eta vs tors. theta energy: -195.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2305.615840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.615840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.615840 (E_RNA) where: Base-Base interactions energy: -1644.546 where: short stacking energy: -681.343 Base-Backbone interact. energy: -0.760 local terms energy: -660.310408 where: bonds (distance) C4'-P energy: -104.978 bonds (distance) P-C4' energy: -121.322 flat angles C4'-P-C4' energy: -134.618 flat angles P-C4'-P energy: -98.306 tors. eta vs tors. theta energy: -201.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2233.112196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.112196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.112196 (E_RNA) where: Base-Base interactions energy: -1589.817 where: short stacking energy: -644.272 Base-Backbone interact. energy: -0.203 local terms energy: -643.092093 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -116.627 flat angles C4'-P-C4' energy: -126.310 flat angles P-C4'-P energy: -86.939 tors. eta vs tors. theta energy: -201.090 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: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1901.982164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.982164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.982164 (E_RNA) where: Base-Base interactions energy: -1346.946 where: short stacking energy: -543.319 Base-Backbone interact. energy: -1.101 local terms energy: -553.935130 where: bonds (distance) C4'-P energy: -92.983 bonds (distance) P-C4' energy: -106.255 flat angles C4'-P-C4' energy: -125.908 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -156.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1720.379657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.379657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.379657 (E_RNA) where: Base-Base interactions energy: -1199.468 where: short stacking energy: -486.503 Base-Backbone interact. energy: 0.730 local terms energy: -521.642005 where: bonds (distance) C4'-P energy: -82.704 bonds (distance) P-C4' energy: -108.335 flat angles C4'-P-C4' energy: -116.342 flat angles P-C4'-P energy: -91.130 tors. eta vs tors. theta energy: -123.131 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: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1293.121062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.121062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.121062 (E_RNA) where: Base-Base interactions energy: -858.080 where: short stacking energy: -363.610 Base-Backbone interact. energy: 1.299 local terms energy: -436.340112 where: bonds (distance) C4'-P energy: -99.808 bonds (distance) P-C4' energy: -99.179 flat angles C4'-P-C4' energy: -90.100 flat angles P-C4'-P energy: -69.838 tors. eta vs tors. theta energy: -77.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2724.520085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.520085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.520085 (E_RNA) where: Base-Base interactions energy: -1934.295 where: short stacking energy: -777.373 Base-Backbone interact. energy: 0.443 local terms energy: -790.668203 where: bonds (distance) C4'-P energy: -137.119 bonds (distance) P-C4' energy: -132.620 flat angles C4'-P-C4' energy: -174.173 flat angles P-C4'-P energy: -101.784 tors. eta vs tors. theta energy: -244.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2605.871824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.871824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.871824 (E_RNA) where: Base-Base interactions energy: -1810.794 where: short stacking energy: -749.922 Base-Backbone interact. energy: -2.562 local terms energy: -792.515959 where: bonds (distance) C4'-P energy: -144.965 bonds (distance) P-C4' energy: -142.353 flat angles C4'-P-C4' energy: -154.243 flat angles P-C4'-P energy: -109.376 tors. eta vs tors. theta energy: -241.578 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: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2508.391158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.391158 (E_RNA) where: Base-Base interactions energy: -1778.151 where: short stacking energy: -736.281 Base-Backbone interact. energy: 0.366 local terms energy: -730.606208 where: bonds (distance) C4'-P energy: -116.466 bonds (distance) P-C4' energy: -144.842 flat angles C4'-P-C4' energy: -151.813 flat angles P-C4'-P energy: -102.749 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: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2457.559895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.559895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.559895 (E_RNA) where: Base-Base interactions energy: -1744.822 where: short stacking energy: -712.029 Base-Backbone interact. energy: -0.822 local terms energy: -711.916438 where: bonds (distance) C4'-P energy: -124.249 bonds (distance) P-C4' energy: -128.944 flat angles C4'-P-C4' energy: -150.225 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -212.765 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: 395 Temperature: 1.100000 Total energy: -2350.737456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.737456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.737456 (E_RNA) where: Base-Base interactions energy: -1688.251 where: short stacking energy: -677.978 Base-Backbone interact. energy: -2.570 local terms energy: -659.916553 where: bonds (distance) C4'-P energy: -112.616 bonds (distance) P-C4' energy: -117.374 flat angles C4'-P-C4' energy: -142.817 flat angles P-C4'-P energy: -94.161 tors. eta vs tors. theta energy: -192.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2265.135442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.135442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.135442 (E_RNA) where: Base-Base interactions energy: -1612.138 where: short stacking energy: -652.530 Base-Backbone interact. energy: -3.079 local terms energy: -649.918354 where: bonds (distance) C4'-P energy: -103.924 bonds (distance) P-C4' energy: -114.284 flat angles C4'-P-C4' energy: -145.092 flat angles P-C4'-P energy: -90.676 tors. eta vs tors. theta energy: -195.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2165.997233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.997233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.997233 (E_RNA) where: Base-Base interactions energy: -1541.859 where: short stacking energy: -634.268 Base-Backbone interact. energy: -0.833 local terms energy: -623.305166 where: bonds (distance) C4'-P energy: -112.093 bonds (distance) P-C4' energy: -94.268 flat angles C4'-P-C4' energy: -135.889 flat angles P-C4'-P energy: -92.819 tors. eta vs tors. theta energy: -188.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1895.890417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.890417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.890417 (E_RNA) where: Base-Base interactions energy: -1315.170 where: short stacking energy: -524.011 Base-Backbone interact. energy: -2.347 local terms energy: -578.373338 where: bonds (distance) C4'-P energy: -98.637 bonds (distance) P-C4' energy: -108.215 flat angles C4'-P-C4' energy: -144.987 flat angles P-C4'-P energy: -80.636 tors. eta vs tors. theta energy: -145.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1781.877645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.877645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.877645 (E_RNA) where: Base-Base interactions energy: -1217.513 where: short stacking energy: -500.482 Base-Backbone interact. energy: 0.231 local terms energy: -564.595590 where: bonds (distance) C4'-P energy: -113.349 bonds (distance) P-C4' energy: -120.335 flat angles C4'-P-C4' energy: -123.061 flat angles P-C4'-P energy: -76.433 tors. eta vs tors. theta energy: -131.417 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: 395 Temperature: 1.350000 Total energy: -1275.545909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.545909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.545909 (E_RNA) where: Base-Base interactions energy: -865.975 where: short stacking energy: -377.479 Base-Backbone interact. energy: -2.150 local terms energy: -407.420653 where: bonds (distance) C4'-P energy: -91.210 bonds (distance) P-C4' energy: -100.224 flat angles C4'-P-C4' energy: -99.916 flat angles P-C4'-P energy: -55.139 tors. eta vs tors. theta energy: -60.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2692.951389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.951389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.951389 (E_RNA) where: Base-Base interactions energy: -1928.962 where: short stacking energy: -778.726 Base-Backbone interact. energy: -2.147 local terms energy: -761.842376 where: bonds (distance) C4'-P energy: -112.821 bonds (distance) P-C4' energy: -131.701 flat angles C4'-P-C4' energy: -162.899 flat angles P-C4'-P energy: -115.742 tors. eta vs tors. theta energy: -238.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2581.759461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.759461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.759461 (E_RNA) where: Base-Base interactions energy: -1806.929 where: short stacking energy: -753.681 Base-Backbone interact. energy: -2.298 local terms energy: -772.532797 where: bonds (distance) C4'-P energy: -133.657 bonds (distance) P-C4' energy: -130.367 flat angles C4'-P-C4' energy: -164.585 flat angles P-C4'-P energy: -107.861 tors. eta vs tors. theta energy: -236.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2530.749459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.749459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.749459 (E_RNA) where: Base-Base interactions energy: -1791.994 where: short stacking energy: -714.723 Base-Backbone interact. energy: -2.539 local terms energy: -736.216932 where: bonds (distance) C4'-P energy: -127.522 bonds (distance) P-C4' energy: -124.755 flat angles C4'-P-C4' energy: -157.263 flat angles P-C4'-P energy: -107.192 tors. eta vs tors. theta energy: -219.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2456.706351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.706351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.706351 (E_RNA) where: Base-Base interactions energy: -1737.059 where: short stacking energy: -705.041 Base-Backbone interact. energy: -0.337 local terms energy: -719.310611 where: bonds (distance) C4'-P energy: -130.316 bonds (distance) P-C4' energy: -135.430 flat angles C4'-P-C4' energy: -151.171 flat angles P-C4'-P energy: -95.667 tors. eta vs tors. theta energy: -206.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2341.580397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.580397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.580397 (E_RNA) where: Base-Base interactions energy: -1661.141 where: short stacking energy: -680.420 Base-Backbone interact. energy: -0.160 local terms energy: -680.280062 where: bonds (distance) C4'-P energy: -119.503 bonds (distance) P-C4' energy: -127.594 flat angles C4'-P-C4' energy: -151.557 flat angles P-C4'-P energy: -90.684 tors. eta vs tors. theta energy: -190.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2261.230615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.230615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.230615 (E_RNA) where: Base-Base interactions energy: -1630.844 where: short stacking energy: -656.383 Base-Backbone interact. energy: -2.418 local terms energy: -627.968140 where: bonds (distance) C4'-P energy: -107.002 bonds (distance) P-C4' energy: -118.220 flat angles C4'-P-C4' energy: -141.084 flat angles P-C4'-P energy: -81.538 tors. eta vs tors. theta energy: -180.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2183.718161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.718161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.718161 (E_RNA) where: Base-Base interactions energy: -1534.971 where: short stacking energy: -609.034 Base-Backbone interact. energy: -2.578 local terms energy: -646.168901 where: bonds (distance) C4'-P energy: -107.006 bonds (distance) P-C4' energy: -111.777 flat angles C4'-P-C4' energy: -145.050 flat angles P-C4'-P energy: -87.750 tors. eta vs tors. theta energy: -194.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1934.595816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.595816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.595816 (E_RNA) where: Base-Base interactions energy: -1313.961 where: short stacking energy: -539.411 Base-Backbone interact. energy: -2.791 local terms energy: -617.844080 where: bonds (distance) C4'-P energy: -114.945 bonds (distance) P-C4' energy: -130.206 flat angles C4'-P-C4' energy: -134.957 flat angles P-C4'-P energy: -86.591 tors. eta vs tors. theta energy: -151.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1817.617309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.617309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.617309 (E_RNA) where: Base-Base interactions energy: -1293.187 where: short stacking energy: -512.867 Base-Backbone interact. energy: -3.730 local terms energy: -520.700306 where: bonds (distance) C4'-P energy: -119.167 bonds (distance) P-C4' energy: -100.818 flat angles C4'-P-C4' energy: -104.293 flat angles P-C4'-P energy: -62.190 tors. eta vs tors. theta energy: -134.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1257.074004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.074004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.074004 (E_RNA) where: Base-Base interactions energy: -820.275 where: short stacking energy: -361.835 Base-Backbone interact. energy: 0.302 local terms energy: -437.100564 where: bonds (distance) C4'-P energy: -104.275 bonds (distance) P-C4' energy: -109.442 flat angles C4'-P-C4' energy: -114.767 flat angles P-C4'-P energy: -63.490 tors. eta vs tors. theta energy: -45.126 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: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2679.957081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.957081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.957081 (E_RNA) where: Base-Base interactions energy: -1912.749 where: short stacking energy: -786.115 Base-Backbone interact. energy: -2.147 local terms energy: -765.060503 where: bonds (distance) C4'-P energy: -118.865 bonds (distance) P-C4' energy: -135.276 flat angles C4'-P-C4' energy: -164.473 flat angles P-C4'-P energy: -113.958 tors. eta vs tors. theta energy: -232.489 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: 2, replica: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2584.839056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.839056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.839056 (E_RNA) where: Base-Base interactions energy: -1831.014 where: short stacking energy: -759.608 Base-Backbone interact. energy: -1.246 local terms energy: -752.579059 where: bonds (distance) C4'-P energy: -124.226 bonds (distance) P-C4' energy: -135.634 flat angles C4'-P-C4' energy: -157.275 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -232.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2504.133054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.133054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.133054 (E_RNA) where: Base-Base interactions energy: -1771.364 where: short stacking energy: -722.659 Base-Backbone interact. energy: -1.549 local terms energy: -731.220280 where: bonds (distance) C4'-P energy: -123.313 bonds (distance) P-C4' energy: -123.703 flat angles C4'-P-C4' energy: -164.830 flat angles P-C4'-P energy: -103.163 tors. eta vs tors. theta energy: -216.211 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: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2413.509485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.509485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.509485 (E_RNA) where: Base-Base interactions energy: -1725.014 where: short stacking energy: -717.846 Base-Backbone interact. energy: -1.696 local terms energy: -686.799305 where: bonds (distance) C4'-P energy: -126.071 bonds (distance) P-C4' energy: -124.748 flat angles C4'-P-C4' energy: -147.034 flat angles P-C4'-P energy: -84.430 tors. eta vs tors. theta energy: -204.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2361.180660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.180660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.180660 (E_RNA) where: Base-Base interactions energy: -1665.727 where: short stacking energy: -657.911 Base-Backbone interact. energy: -0.228 local terms energy: -695.226065 where: bonds (distance) C4'-P energy: -132.598 bonds (distance) P-C4' energy: -118.399 flat angles C4'-P-C4' energy: -154.479 flat angles P-C4'-P energy: -101.994 tors. eta vs tors. theta energy: -187.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2288.970735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.970735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.970735 (E_RNA) where: Base-Base interactions energy: -1620.481 where: short stacking energy: -650.397 Base-Backbone interact. energy: 7.562 local terms energy: -676.052438 where: bonds (distance) C4'-P energy: -95.505 bonds (distance) P-C4' energy: -116.564 flat angles C4'-P-C4' energy: -157.187 flat angles P-C4'-P energy: -106.182 tors. eta vs tors. theta energy: -200.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2110.667975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.667975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.667975 (E_RNA) where: Base-Base interactions energy: -1511.922 where: short stacking energy: -610.238 Base-Backbone interact. energy: -0.581 local terms energy: -598.164530 where: bonds (distance) C4'-P energy: -108.917 bonds (distance) P-C4' energy: -99.627 flat angles C4'-P-C4' energy: -131.432 flat angles P-C4'-P energy: -84.861 tors. eta vs tors. theta energy: -173.327 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: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1984.902529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.902529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.902529 (E_RNA) where: Base-Base interactions energy: -1399.818 where: short stacking energy: -567.505 Base-Backbone interact. energy: 3.564 local terms energy: -588.648394 where: bonds (distance) C4'-P energy: -103.851 bonds (distance) P-C4' energy: -103.102 flat angles C4'-P-C4' energy: -129.033 flat angles P-C4'-P energy: -93.767 tors. eta vs tors. theta energy: -158.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1824.317625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.317625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.317625 (E_RNA) where: Base-Base interactions energy: -1286.856 where: short stacking energy: -514.017 Base-Backbone interact. energy: 1.844 local terms energy: -539.305795 where: bonds (distance) C4'-P energy: -103.900 bonds (distance) P-C4' energy: -103.655 flat angles C4'-P-C4' energy: -128.672 flat angles P-C4'-P energy: -63.569 tors. eta vs tors. theta energy: -139.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1282.177595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.177595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.177595 (E_RNA) where: Base-Base interactions energy: -810.542 where: short stacking energy: -346.493 Base-Backbone interact. energy: -1.833 local terms energy: -469.802894 where: bonds (distance) C4'-P energy: -98.886 bonds (distance) P-C4' energy: -119.441 flat angles C4'-P-C4' energy: -117.474 flat angles P-C4'-P energy: -57.788 tors. eta vs tors. theta energy: -76.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2687.440974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.440974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.440974 (E_RNA) where: Base-Base interactions energy: -1900.142 where: short stacking energy: -773.480 Base-Backbone interact. energy: -2.044 local terms energy: -785.255239 where: bonds (distance) C4'-P energy: -126.018 bonds (distance) P-C4' energy: -132.578 flat angles C4'-P-C4' energy: -165.710 flat angles P-C4'-P energy: -120.230 tors. eta vs tors. theta energy: -240.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2603.338290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.338290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.338290 (E_RNA) where: Base-Base interactions energy: -1845.178 where: short stacking energy: -787.779 Base-Backbone interact. energy: 0.251 local terms energy: -758.411426 where: bonds (distance) C4'-P energy: -124.981 bonds (distance) P-C4' energy: -128.738 flat angles C4'-P-C4' energy: -158.697 flat angles P-C4'-P energy: -106.257 tors. eta vs tors. theta energy: -239.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2519.717935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.717935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.717935 (E_RNA) where: Base-Base interactions energy: -1784.751 where: short stacking energy: -734.786 Base-Backbone interact. energy: -1.014 local terms energy: -733.953209 where: bonds (distance) C4'-P energy: -132.592 bonds (distance) P-C4' energy: -122.499 flat angles C4'-P-C4' energy: -157.434 flat angles P-C4'-P energy: -100.344 tors. eta vs tors. theta energy: -221.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2453.748111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.748111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.748111 (E_RNA) where: Base-Base interactions energy: -1747.898 where: short stacking energy: -694.916 Base-Backbone interact. energy: -2.303 local terms energy: -703.547432 where: bonds (distance) C4'-P energy: -127.059 bonds (distance) P-C4' energy: -111.591 flat angles C4'-P-C4' energy: -145.494 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -215.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2336.181374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.181374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.181374 (E_RNA) where: Base-Base interactions energy: -1683.752 where: short stacking energy: -677.656 Base-Backbone interact. energy: -0.297 local terms energy: -652.132538 where: bonds (distance) C4'-P energy: -124.029 bonds (distance) P-C4' energy: -101.708 flat angles C4'-P-C4' energy: -145.117 flat angles P-C4'-P energy: -89.511 tors. eta vs tors. theta energy: -191.767 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: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2271.117576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.117576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.117576 (E_RNA) where: Base-Base interactions energy: -1630.470 where: short stacking energy: -653.112 Base-Backbone interact. energy: -1.479 local terms energy: -639.168203 where: bonds (distance) C4'-P energy: -104.212 bonds (distance) P-C4' energy: -113.308 flat angles C4'-P-C4' energy: -139.454 flat angles P-C4'-P energy: -93.041 tors. eta vs tors. theta energy: -189.153 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: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2142.942144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.942144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.942144 (E_RNA) where: Base-Base interactions energy: -1526.809 where: short stacking energy: -621.130 Base-Backbone interact. energy: 1.545 local terms energy: -617.678217 where: bonds (distance) C4'-P energy: -103.592 bonds (distance) P-C4' energy: -105.394 flat angles C4'-P-C4' energy: -140.865 flat angles P-C4'-P energy: -75.999 tors. eta vs tors. theta energy: -191.828 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: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1933.209047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.209047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.209047 (E_RNA) where: Base-Base interactions energy: -1373.754 where: short stacking energy: -566.544 Base-Backbone interact. energy: -0.413 local terms energy: -559.041851 where: bonds (distance) C4'-P energy: -90.288 bonds (distance) P-C4' energy: -117.090 flat angles C4'-P-C4' energy: -128.284 flat angles P-C4'-P energy: -64.607 tors. eta vs tors. theta energy: -158.773 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: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1815.234131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.234131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.234131 (E_RNA) where: Base-Base interactions energy: -1274.731 where: short stacking energy: -510.189 Base-Backbone interact. energy: 3.915 local terms energy: -544.418025 where: bonds (distance) C4'-P energy: -95.477 bonds (distance) P-C4' energy: -101.052 flat angles C4'-P-C4' energy: -114.997 flat angles P-C4'-P energy: -91.795 tors. eta vs tors. theta energy: -141.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1247.377632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.377632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.377632 (E_RNA) where: Base-Base interactions energy: -766.407 where: short stacking energy: -333.274 Base-Backbone interact. energy: -2.280 local terms energy: -478.690263 where: bonds (distance) C4'-P energy: -120.034 bonds (distance) P-C4' energy: -106.655 flat angles C4'-P-C4' energy: -111.952 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -55.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2713.788213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.788213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.788213 (E_RNA) where: Base-Base interactions energy: -1932.786 where: short stacking energy: -780.208 Base-Backbone interact. energy: -4.017 local terms energy: -776.984945 where: bonds (distance) C4'-P energy: -132.888 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -160.690 flat angles P-C4'-P energy: -116.897 tors. eta vs tors. theta energy: -232.644 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: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2602.708902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.708902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.708902 (E_RNA) where: Base-Base interactions energy: -1832.165 where: short stacking energy: -751.046 Base-Backbone interact. energy: -0.974 local terms energy: -769.569813 where: bonds (distance) C4'-P energy: -124.735 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -166.943 flat angles P-C4'-P energy: -100.475 tors. eta vs tors. theta energy: -237.858 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: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2514.467401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.467401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.467401 (E_RNA) where: Base-Base interactions energy: -1796.448 where: short stacking energy: -722.248 Base-Backbone interact. energy: -0.756 local terms energy: -717.263437 where: bonds (distance) C4'-P energy: -127.605 bonds (distance) P-C4' energy: -128.703 flat angles C4'-P-C4' energy: -144.101 flat angles P-C4'-P energy: -108.490 tors. eta vs tors. theta energy: -208.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2432.423126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.423126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.423126 (E_RNA) where: Base-Base interactions energy: -1747.684 where: short stacking energy: -697.175 Base-Backbone interact. energy: -1.258 local terms energy: -683.481299 where: bonds (distance) C4'-P energy: -115.933 bonds (distance) P-C4' energy: -127.516 flat angles C4'-P-C4' energy: -146.613 flat angles P-C4'-P energy: -92.251 tors. eta vs tors. theta energy: -201.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2336.731659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.731659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.731659 (E_RNA) where: Base-Base interactions energy: -1674.410 where: short stacking energy: -652.935 Base-Backbone interact. energy: -1.907 local terms energy: -660.415146 where: bonds (distance) C4'-P energy: -126.984 bonds (distance) P-C4' energy: -113.232 flat angles C4'-P-C4' energy: -137.446 flat angles P-C4'-P energy: -95.211 tors. eta vs tors. theta energy: -187.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2284.280104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.280104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.280104 (E_RNA) where: Base-Base interactions energy: -1632.302 where: short stacking energy: -651.045 Base-Backbone interact. energy: 0.543 local terms energy: -652.520763 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -107.418 flat angles C4'-P-C4' energy: -153.256 flat angles P-C4'-P energy: -96.517 tors. eta vs tors. theta energy: -185.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2214.788863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.788863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.788863 (E_RNA) where: Base-Base interactions energy: -1565.699 where: short stacking energy: -635.291 Base-Backbone interact. energy: -3.381 local terms energy: -645.708336 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -110.006 flat angles C4'-P-C4' energy: -139.580 flat angles P-C4'-P energy: -88.956 tors. eta vs tors. theta energy: -203.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1966.015448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.015448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.015448 (E_RNA) where: Base-Base interactions energy: -1406.721 where: short stacking energy: -570.389 Base-Backbone interact. energy: -0.823 local terms energy: -558.471377 where: bonds (distance) C4'-P energy: -109.619 bonds (distance) P-C4' energy: -101.384 flat angles C4'-P-C4' energy: -117.675 flat angles P-C4'-P energy: -81.143 tors. eta vs tors. theta energy: -148.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1890.759053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.759053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.759053 (E_RNA) where: Base-Base interactions energy: -1320.395 where: short stacking energy: -542.287 Base-Backbone interact. energy: 4.200 local terms energy: -574.563481 where: bonds (distance) C4'-P energy: -105.241 bonds (distance) P-C4' energy: -119.944 flat angles C4'-P-C4' energy: -122.333 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -149.291 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: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1233.173996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.173996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.173996 (E_RNA) where: Base-Base interactions energy: -795.249 where: short stacking energy: -353.027 Base-Backbone interact. energy: -1.299 local terms energy: -436.626077 where: bonds (distance) C4'-P energy: -87.597 bonds (distance) P-C4' energy: -120.121 flat angles C4'-P-C4' energy: -114.228 flat angles P-C4'-P energy: -55.903 tors. eta vs tors. theta energy: -58.778 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: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2708.468690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.468690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.468690 (E_RNA) where: Base-Base interactions energy: -1947.222 where: short stacking energy: -788.578 Base-Backbone interact. energy: -2.314 local terms energy: -758.932382 where: bonds (distance) C4'-P energy: -133.187 bonds (distance) P-C4' energy: -128.373 flat angles C4'-P-C4' energy: -159.121 flat angles P-C4'-P energy: -105.836 tors. eta vs tors. theta energy: -232.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2608.248240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.248240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.248240 (E_RNA) where: Base-Base interactions energy: -1837.072 where: short stacking energy: -789.671 Base-Backbone interact. energy: -3.742 local terms energy: -767.434272 where: bonds (distance) C4'-P energy: -127.810 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -158.674 flat angles P-C4'-P energy: -106.922 tors. eta vs tors. theta energy: -239.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2590.252475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.252475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.252475 (E_RNA) where: Base-Base interactions energy: -1860.280 where: short stacking energy: -784.737 Base-Backbone interact. energy: 0.880 local terms energy: -730.852752 where: bonds (distance) C4'-P energy: -123.577 bonds (distance) P-C4' energy: -127.322 flat angles C4'-P-C4' energy: -148.613 flat angles P-C4'-P energy: -106.168 tors. eta vs tors. theta energy: -225.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2423.339820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.339820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.339820 (E_RNA) where: Base-Base interactions energy: -1735.257 where: short stacking energy: -699.423 Base-Backbone interact. energy: -1.173 local terms energy: -686.909826 where: bonds (distance) C4'-P energy: -123.726 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -140.899 flat angles P-C4'-P energy: -92.332 tors. eta vs tors. theta energy: -207.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2336.722163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.722163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.722163 (E_RNA) where: Base-Base interactions energy: -1673.291 where: short stacking energy: -671.595 Base-Backbone interact. energy: -3.208 local terms energy: -660.223113 where: bonds (distance) C4'-P energy: -121.599 bonds (distance) P-C4' energy: -108.558 flat angles C4'-P-C4' energy: -141.618 flat angles P-C4'-P energy: -97.207 tors. eta vs tors. theta energy: -191.241 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: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2304.791135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.791135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.791135 (E_RNA) where: Base-Base interactions energy: -1658.116 where: short stacking energy: -679.278 Base-Backbone interact. energy: 0.784 local terms energy: -647.459835 where: bonds (distance) C4'-P energy: -104.470 bonds (distance) P-C4' energy: -126.266 flat angles C4'-P-C4' energy: -132.419 flat angles P-C4'-P energy: -88.872 tors. eta vs tors. theta energy: -195.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2213.594671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.594671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.594671 (E_RNA) where: Base-Base interactions energy: -1579.670 where: short stacking energy: -624.890 Base-Backbone interact. energy: -1.245 local terms energy: -632.679854 where: bonds (distance) C4'-P energy: -125.510 bonds (distance) P-C4' energy: -99.071 flat angles C4'-P-C4' energy: -139.876 flat angles P-C4'-P energy: -89.585 tors. eta vs tors. theta energy: -178.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1982.966646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.966646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.966646 (E_RNA) where: Base-Base interactions energy: -1367.077 where: short stacking energy: -579.174 Base-Backbone interact. energy: -0.493 local terms energy: -615.396776 where: bonds (distance) C4'-P energy: -116.556 bonds (distance) P-C4' energy: -126.947 flat angles C4'-P-C4' energy: -120.401 flat angles P-C4'-P energy: -86.023 tors. eta vs tors. theta energy: -165.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1854.883314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.883314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.883314 (E_RNA) where: Base-Base interactions energy: -1297.959 where: short stacking energy: -517.666 Base-Backbone interact. energy: 5.607 local terms energy: -562.531279 where: bonds (distance) C4'-P energy: -114.643 bonds (distance) P-C4' energy: -113.745 flat angles C4'-P-C4' energy: -109.924 flat angles P-C4'-P energy: -78.127 tors. eta vs tors. theta energy: -146.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1243.551416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.551416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.551416 (E_RNA) where: Base-Base interactions energy: -781.423 where: short stacking energy: -354.044 Base-Backbone interact. energy: -1.328 local terms energy: -460.800755 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -110.295 flat angles C4'-P-C4' energy: -117.839 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -71.046 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: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2702.508807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.508807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.508807 (E_RNA) where: Base-Base interactions energy: -1935.421 where: short stacking energy: -765.369 Base-Backbone interact. energy: -2.018 local terms energy: -765.069705 where: bonds (distance) C4'-P energy: -140.556 bonds (distance) P-C4' energy: -140.823 flat angles C4'-P-C4' energy: -148.202 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -231.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2599.769871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.769871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.769871 (E_RNA) where: Base-Base interactions energy: -1797.641 where: short stacking energy: -762.959 Base-Backbone interact. energy: 1.580 local terms energy: -803.708516 where: bonds (distance) C4'-P energy: -146.621 bonds (distance) P-C4' energy: -132.908 flat angles C4'-P-C4' energy: -170.480 flat angles P-C4'-P energy: -119.171 tors. eta vs tors. theta energy: -234.527 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: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2549.022866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.022866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.022866 (E_RNA) where: Base-Base interactions energy: -1798.072 where: short stacking energy: -748.776 Base-Backbone interact. energy: -1.397 local terms energy: -749.553421 where: bonds (distance) C4'-P energy: -138.511 bonds (distance) P-C4' energy: -131.538 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -99.168 tors. eta vs tors. theta energy: -230.517 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: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2424.717599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.717599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.717599 (E_RNA) where: Base-Base interactions energy: -1731.506 where: short stacking energy: -712.000 Base-Backbone interact. energy: -2.612 local terms energy: -690.599249 where: bonds (distance) C4'-P energy: -118.702 bonds (distance) P-C4' energy: -121.188 flat angles C4'-P-C4' energy: -146.892 flat angles P-C4'-P energy: -100.058 tors. eta vs tors. theta energy: -203.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2375.830483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.830483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.830483 (E_RNA) where: Base-Base interactions energy: -1680.605 where: short stacking energy: -671.584 Base-Backbone interact. energy: -0.748 local terms energy: -694.477642 where: bonds (distance) C4'-P energy: -126.370 bonds (distance) P-C4' energy: -141.826 flat angles C4'-P-C4' energy: -130.429 flat angles P-C4'-P energy: -97.999 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: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2238.202694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.202694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.202694 (E_RNA) where: Base-Base interactions energy: -1597.793 where: short stacking energy: -644.328 Base-Backbone interact. energy: 0.790 local terms energy: -641.199452 where: bonds (distance) C4'-P energy: -101.559 bonds (distance) P-C4' energy: -114.208 flat angles C4'-P-C4' energy: -138.014 flat angles P-C4'-P energy: -97.974 tors. eta vs tors. theta energy: -189.444 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: 401 Temperature: 1.200000 Total energy: -2131.591582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.591582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.591582 (E_RNA) where: Base-Base interactions energy: -1513.262 where: short stacking energy: -629.874 Base-Backbone interact. energy: 0.296 local terms energy: -618.625607 where: bonds (distance) C4'-P energy: -113.104 bonds (distance) P-C4' energy: -95.993 flat angles C4'-P-C4' energy: -132.143 flat angles P-C4'-P energy: -91.322 tors. eta vs tors. theta energy: -186.063 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: 401 Temperature: 1.250000 Total energy: -2080.645983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.645983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.645983 (E_RNA) where: Base-Base interactions energy: -1510.319 where: short stacking energy: -630.191 Base-Backbone interact. energy: 1.592 local terms energy: -571.918470 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -93.374 flat angles C4'-P-C4' energy: -123.885 flat angles P-C4'-P energy: -82.198 tors. eta vs tors. theta energy: -178.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1913.138619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.138619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.138619 (E_RNA) where: Base-Base interactions energy: -1367.208 where: short stacking energy: -551.381 Base-Backbone interact. energy: 1.451 local terms energy: -547.381703 where: bonds (distance) C4'-P energy: -97.099 bonds (distance) P-C4' energy: -102.232 flat angles C4'-P-C4' energy: -125.546 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -148.973 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: 401 Temperature: 1.350000 Total energy: -1227.262736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.262736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.262736 (E_RNA) where: Base-Base interactions energy: -793.054 where: short stacking energy: -340.763 Base-Backbone interact. energy: 2.498 local terms energy: -436.706078 where: bonds (distance) C4'-P energy: -99.131 bonds (distance) P-C4' energy: -136.987 flat angles C4'-P-C4' energy: -106.161 flat angles P-C4'-P energy: -49.109 tors. eta vs tors. theta energy: -45.317 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: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2710.586660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.586660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.586660 (E_RNA) where: Base-Base interactions energy: -1941.653 where: short stacking energy: -793.787 Base-Backbone interact. energy: 1.433 local terms energy: -770.367489 where: bonds (distance) C4'-P energy: -127.154 bonds (distance) P-C4' energy: -138.433 flat angles C4'-P-C4' energy: -165.372 flat angles P-C4'-P energy: -100.570 tors. eta vs tors. theta energy: -238.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2590.798113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.798113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.798113 (E_RNA) where: Base-Base interactions energy: -1831.447 where: short stacking energy: -776.203 Base-Backbone interact. energy: 0.015 local terms energy: -759.366902 where: bonds (distance) C4'-P energy: -137.620 bonds (distance) P-C4' energy: -118.244 flat angles C4'-P-C4' energy: -156.918 flat angles P-C4'-P energy: -110.761 tors. eta vs tors. theta energy: -235.823 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: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2547.091518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.091518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.091518 (E_RNA) where: Base-Base interactions energy: -1816.253 where: short stacking energy: -761.198 Base-Backbone interact. energy: 1.470 local terms energy: -732.308374 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -130.933 flat angles C4'-P-C4' energy: -151.678 flat angles P-C4'-P energy: -102.925 tors. eta vs tors. theta energy: -224.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2446.011853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.011853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.011853 (E_RNA) where: Base-Base interactions energy: -1747.680 where: short stacking energy: -708.664 Base-Backbone interact. energy: -1.625 local terms energy: -696.707178 where: bonds (distance) C4'-P energy: -117.904 bonds (distance) P-C4' energy: -122.957 flat angles C4'-P-C4' energy: -147.788 flat angles P-C4'-P energy: -101.781 tors. eta vs tors. theta energy: -206.277 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: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2398.753589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.753589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.753589 (E_RNA) where: Base-Base interactions energy: -1725.489 where: short stacking energy: -676.811 Base-Backbone interact. energy: -2.466 local terms energy: -670.798486 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -127.370 flat angles C4'-P-C4' energy: -143.510 flat angles P-C4'-P energy: -88.339 tors. eta vs tors. theta energy: -195.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2270.982454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.982454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.982454 (E_RNA) where: Base-Base interactions energy: -1633.631 where: short stacking energy: -651.979 Base-Backbone interact. energy: -0.671 local terms energy: -636.680770 where: bonds (distance) C4'-P energy: -113.975 bonds (distance) P-C4' energy: -104.969 flat angles C4'-P-C4' energy: -143.788 flat angles P-C4'-P energy: -91.618 tors. eta vs tors. theta energy: -182.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2217.588608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.588608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.588608 (E_RNA) where: Base-Base interactions energy: -1558.024 where: short stacking energy: -635.679 Base-Backbone interact. energy: -1.397 local terms energy: -658.167612 where: bonds (distance) C4'-P energy: -109.399 bonds (distance) P-C4' energy: -128.350 flat angles C4'-P-C4' energy: -136.128 flat angles P-C4'-P energy: -82.403 tors. eta vs tors. theta energy: -201.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2100.459768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.459768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.459768 (E_RNA) where: Base-Base interactions energy: -1490.061 where: short stacking energy: -616.058 Base-Backbone interact. energy: -0.796 local terms energy: -609.602442 where: bonds (distance) C4'-P energy: -113.784 bonds (distance) P-C4' energy: -113.444 flat angles C4'-P-C4' energy: -122.774 flat angles P-C4'-P energy: -88.328 tors. eta vs tors. theta energy: -171.273 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: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1960.008387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.008387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.008387 (E_RNA) where: Base-Base interactions energy: -1397.634 where: short stacking energy: -552.189 Base-Backbone interact. energy: -1.887 local terms energy: -560.487119 where: bonds (distance) C4'-P energy: -108.390 bonds (distance) P-C4' energy: -88.926 flat angles C4'-P-C4' energy: -131.916 flat angles P-C4'-P energy: -79.329 tors. eta vs tors. theta energy: -151.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1145.259595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.259595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.259595 (E_RNA) where: Base-Base interactions energy: -712.491 where: short stacking energy: -303.118 Base-Backbone interact. energy: 6.459 local terms energy: -439.227321 where: bonds (distance) C4'-P energy: -108.278 bonds (distance) P-C4' energy: -116.453 flat angles C4'-P-C4' energy: -108.811 flat angles P-C4'-P energy: -60.659 tors. eta vs tors. theta energy: -45.026 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: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2703.373118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.373118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.373118 (E_RNA) where: Base-Base interactions energy: -1947.346 where: short stacking energy: -790.797 Base-Backbone interact. energy: -0.500 local terms energy: -755.527336 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -120.819 flat angles C4'-P-C4' energy: -156.419 flat angles P-C4'-P energy: -111.559 tors. eta vs tors. theta energy: -243.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2596.764065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.764065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.764065 (E_RNA) where: Base-Base interactions energy: -1829.364 where: short stacking energy: -772.983 Base-Backbone interact. energy: -0.503 local terms energy: -766.896807 where: bonds (distance) C4'-P energy: -131.746 bonds (distance) P-C4' energy: -130.354 flat angles C4'-P-C4' energy: -152.976 flat angles P-C4'-P energy: -113.261 tors. eta vs tors. theta energy: -238.560 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: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2532.074724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.074724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.074724 (E_RNA) where: Base-Base interactions energy: -1810.913 where: short stacking energy: -738.016 Base-Backbone interact. energy: 3.618 local terms energy: -724.780098 where: bonds (distance) C4'-P energy: -114.926 bonds (distance) P-C4' energy: -135.367 flat angles C4'-P-C4' energy: -152.499 flat angles P-C4'-P energy: -93.412 tors. eta vs tors. theta energy: -228.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2465.051141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.051141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.051141 (E_RNA) where: Base-Base interactions energy: -1774.611 where: short stacking energy: -718.529 Base-Backbone interact. energy: -1.399 local terms energy: -689.041253 where: bonds (distance) C4'-P energy: -111.306 bonds (distance) P-C4' energy: -130.965 flat angles C4'-P-C4' energy: -146.441 flat angles P-C4'-P energy: -101.332 tors. eta vs tors. theta energy: -198.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2407.284724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.284724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.284724 (E_RNA) where: Base-Base interactions energy: -1706.448 where: short stacking energy: -682.008 Base-Backbone interact. energy: -1.943 local terms energy: -698.893555 where: bonds (distance) C4'-P energy: -125.402 bonds (distance) P-C4' energy: -108.604 flat angles C4'-P-C4' energy: -157.105 flat angles P-C4'-P energy: -97.605 tors. eta vs tors. theta energy: -210.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2312.461817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.461817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.461817 (E_RNA) where: Base-Base interactions energy: -1653.074 where: short stacking energy: -667.979 Base-Backbone interact. energy: -2.117 local terms energy: -657.271022 where: bonds (distance) C4'-P energy: -115.967 bonds (distance) P-C4' energy: -124.459 flat angles C4'-P-C4' energy: -125.944 flat angles P-C4'-P energy: -105.305 tors. eta vs tors. theta energy: -185.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2163.108904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.108904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.108904 (E_RNA) where: Base-Base interactions energy: -1517.298 where: short stacking energy: -630.219 Base-Backbone interact. energy: 0.743 local terms energy: -646.554319 where: bonds (distance) C4'-P energy: -115.666 bonds (distance) P-C4' energy: -120.210 flat angles C4'-P-C4' energy: -133.951 flat angles P-C4'-P energy: -79.203 tors. eta vs tors. theta energy: -197.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2016.953834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.953834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.953834 (E_RNA) where: Base-Base interactions energy: -1418.649 where: short stacking energy: -589.579 Base-Backbone interact. energy: 0.657 local terms energy: -598.961506 where: bonds (distance) C4'-P energy: -103.495 bonds (distance) P-C4' energy: -110.838 flat angles C4'-P-C4' energy: -130.315 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -162.932 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: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1941.916247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.916247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.916247 (E_RNA) where: Base-Base interactions energy: -1376.917 where: short stacking energy: -561.855 Base-Backbone interact. energy: 3.075 local terms energy: -568.073690 where: bonds (distance) C4'-P energy: -108.307 bonds (distance) P-C4' energy: -100.886 flat angles C4'-P-C4' energy: -117.037 flat angles P-C4'-P energy: -83.730 tors. eta vs tors. theta energy: -158.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1214.418438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.418438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.418438 (E_RNA) where: Base-Base interactions energy: -769.194 where: short stacking energy: -344.593 Base-Backbone interact. energy: -1.809 local terms energy: -443.415703 where: bonds (distance) C4'-P energy: -113.588 bonds (distance) P-C4' energy: -99.656 flat angles C4'-P-C4' energy: -113.979 flat angles P-C4'-P energy: -64.055 tors. eta vs tors. theta energy: -52.139 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: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2695.001906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.001906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.001906 (E_RNA) where: Base-Base interactions energy: -1922.593 where: short stacking energy: -750.025 Base-Backbone interact. energy: -3.798 local terms energy: -768.610768 where: bonds (distance) C4'-P energy: -126.190 bonds (distance) P-C4' energy: -133.127 flat angles C4'-P-C4' energy: -158.445 flat angles P-C4'-P energy: -111.019 tors. eta vs tors. theta energy: -239.830 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: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2603.050370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.050370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.050370 (E_RNA) where: Base-Base interactions energy: -1848.519 where: short stacking energy: -773.239 Base-Backbone interact. energy: -0.938 local terms energy: -753.593564 where: bonds (distance) C4'-P energy: -126.678 bonds (distance) P-C4' energy: -105.242 flat angles C4'-P-C4' energy: -170.952 flat angles P-C4'-P energy: -109.326 tors. eta vs tors. theta energy: -241.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2515.005605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.005605 (E_RNA) where: Base-Base interactions energy: -1800.240 where: short stacking energy: -707.430 Base-Backbone interact. energy: -3.083 local terms energy: -711.682145 where: bonds (distance) C4'-P energy: -128.348 bonds (distance) P-C4' energy: -126.949 flat angles C4'-P-C4' energy: -154.770 flat angles P-C4'-P energy: -93.945 tors. eta vs tors. theta energy: -207.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2509.701504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.701504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.701504 (E_RNA) where: Base-Base interactions energy: -1799.395 where: short stacking energy: -740.235 Base-Backbone interact. energy: -0.562 local terms energy: -709.744335 where: bonds (distance) C4'-P energy: -122.740 bonds (distance) P-C4' energy: -130.132 flat angles C4'-P-C4' energy: -138.932 flat angles P-C4'-P energy: -95.195 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: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2388.596698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.596698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.596698 (E_RNA) where: Base-Base interactions energy: -1735.952 where: short stacking energy: -677.317 Base-Backbone interact. energy: -1.394 local terms energy: -651.250074 where: bonds (distance) C4'-P energy: -123.072 bonds (distance) P-C4' energy: -108.875 flat angles C4'-P-C4' energy: -140.232 flat angles P-C4'-P energy: -78.170 tors. eta vs tors. theta energy: -200.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2251.878439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.878439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.878439 (E_RNA) where: Base-Base interactions energy: -1600.296 where: short stacking energy: -650.675 Base-Backbone interact. energy: -1.076 local terms energy: -650.506464 where: bonds (distance) C4'-P energy: -110.010 bonds (distance) P-C4' energy: -117.979 flat angles C4'-P-C4' energy: -146.535 flat angles P-C4'-P energy: -84.440 tors. eta vs tors. theta energy: -191.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2192.800607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.800607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.800607 (E_RNA) where: Base-Base interactions energy: -1551.915 where: short stacking energy: -652.379 Base-Backbone interact. energy: -1.721 local terms energy: -639.164638 where: bonds (distance) C4'-P energy: -104.538 bonds (distance) P-C4' energy: -117.512 flat angles C4'-P-C4' energy: -144.528 flat angles P-C4'-P energy: -85.284 tors. eta vs tors. theta energy: -187.303 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: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2044.665319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.665319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.665319 (E_RNA) where: Base-Base interactions energy: -1456.555 where: short stacking energy: -570.774 Base-Backbone interact. energy: -3.004 local terms energy: -585.106331 where: bonds (distance) C4'-P energy: -75.996 bonds (distance) P-C4' energy: -119.734 flat angles C4'-P-C4' energy: -135.143 flat angles P-C4'-P energy: -80.872 tors. eta vs tors. theta energy: -173.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1812.586405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.586405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.586405 (E_RNA) where: Base-Base interactions energy: -1224.982 where: short stacking energy: -514.316 Base-Backbone interact. energy: -1.199 local terms energy: -586.405749 where: bonds (distance) C4'-P energy: -116.892 bonds (distance) P-C4' energy: -107.982 flat angles C4'-P-C4' energy: -139.790 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: -142.251 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: 404 Temperature: 1.350000 Total energy: -1264.416777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.416777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.416777 (E_RNA) where: Base-Base interactions energy: -799.434 where: short stacking energy: -353.904 Base-Backbone interact. energy: -0.455 local terms energy: -464.527485 where: bonds (distance) C4'-P energy: -89.562 bonds (distance) P-C4' energy: -125.483 flat angles C4'-P-C4' energy: -104.502 flat angles P-C4'-P energy: -81.886 tors. eta vs tors. theta energy: -63.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2702.035222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.035222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.035222 (E_RNA) where: Base-Base interactions energy: -1925.606 where: short stacking energy: -765.184 Base-Backbone interact. energy: -0.314 local terms energy: -776.114808 where: bonds (distance) C4'-P energy: -117.793 bonds (distance) P-C4' energy: -141.578 flat angles C4'-P-C4' energy: -155.317 flat angles P-C4'-P energy: -122.035 tors. eta vs tors. theta energy: -239.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2585.522538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.522538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.522538 (E_RNA) where: Base-Base interactions energy: -1834.070 where: short stacking energy: -771.487 Base-Backbone interact. energy: -1.910 local terms energy: -749.542994 where: bonds (distance) C4'-P energy: -127.218 bonds (distance) P-C4' energy: -113.502 flat angles C4'-P-C4' energy: -158.384 flat angles P-C4'-P energy: -112.015 tors. eta vs tors. theta energy: -238.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2513.819753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.819753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.819753 (E_RNA) where: Base-Base interactions energy: -1792.623 where: short stacking energy: -722.674 Base-Backbone interact. energy: -0.504 local terms energy: -720.692852 where: bonds (distance) C4'-P energy: -135.205 bonds (distance) P-C4' energy: -127.937 flat angles C4'-P-C4' energy: -139.046 flat angles P-C4'-P energy: -100.729 tors. eta vs tors. theta energy: -217.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2504.286567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.286567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.286567 (E_RNA) where: Base-Base interactions energy: -1781.510 where: short stacking energy: -736.818 Base-Backbone interact. energy: -1.935 local terms energy: -720.840973 where: bonds (distance) C4'-P energy: -116.432 bonds (distance) P-C4' energy: -118.856 flat angles C4'-P-C4' energy: -157.926 flat angles P-C4'-P energy: -105.326 tors. eta vs tors. theta energy: -222.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2382.913494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.913494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.913494 (E_RNA) where: Base-Base interactions energy: -1729.106 where: short stacking energy: -709.626 Base-Backbone interact. energy: 0.747 local terms energy: -654.554009 where: bonds (distance) C4'-P energy: -109.775 bonds (distance) P-C4' energy: -116.495 flat angles C4'-P-C4' energy: -144.470 flat angles P-C4'-P energy: -90.729 tors. eta vs tors. theta energy: -193.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2272.771022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.771022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.771022 (E_RNA) where: Base-Base interactions energy: -1632.500 where: short stacking energy: -672.589 Base-Backbone interact. energy: -1.278 local terms energy: -638.992774 where: bonds (distance) C4'-P energy: -95.456 bonds (distance) P-C4' energy: -121.299 flat angles C4'-P-C4' energy: -140.988 flat angles P-C4'-P energy: -96.054 tors. eta vs tors. theta energy: -185.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2183.828745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.828745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.828745 (E_RNA) where: Base-Base interactions energy: -1551.066 where: short stacking energy: -610.774 Base-Backbone interact. energy: -0.879 local terms energy: -631.883935 where: bonds (distance) C4'-P energy: -96.057 bonds (distance) P-C4' energy: -120.723 flat angles C4'-P-C4' energy: -133.157 flat angles P-C4'-P energy: -100.251 tors. eta vs tors. theta energy: -181.696 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: 405 Temperature: 1.250000 Total energy: -2020.098284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.098284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.098284 (E_RNA) where: Base-Base interactions energy: -1447.104 where: short stacking energy: -584.926 Base-Backbone interact. energy: 0.194 local terms energy: -573.187922 where: bonds (distance) C4'-P energy: -94.990 bonds (distance) P-C4' energy: -95.273 flat angles C4'-P-C4' energy: -116.557 flat angles P-C4'-P energy: -96.280 tors. eta vs tors. theta energy: -170.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1758.261980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.261980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.261980 (E_RNA) where: Base-Base interactions energy: -1194.943 where: short stacking energy: -503.260 Base-Backbone interact. energy: 2.042 local terms energy: -565.361459 where: bonds (distance) C4'-P energy: -121.756 bonds (distance) P-C4' energy: -104.266 flat angles C4'-P-C4' energy: -122.910 flat angles P-C4'-P energy: -74.437 tors. eta vs tors. theta energy: -141.992 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: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1219.813247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.813247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.813247 (E_RNA) where: Base-Base interactions energy: -777.503 where: short stacking energy: -337.439 Base-Backbone interact. energy: 3.893 local terms energy: -446.203026 where: bonds (distance) C4'-P energy: -106.569 bonds (distance) P-C4' energy: -93.948 flat angles C4'-P-C4' energy: -108.350 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -67.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2716.105381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.105381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.105381 (E_RNA) where: Base-Base interactions energy: -1929.440 where: short stacking energy: -781.074 Base-Backbone interact. energy: -3.130 local terms energy: -783.534884 where: bonds (distance) C4'-P energy: -127.527 bonds (distance) P-C4' energy: -144.636 flat angles C4'-P-C4' energy: -162.398 flat angles P-C4'-P energy: -108.574 tors. eta vs tors. theta energy: -240.399 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: 406 Temperature: 0.950000 Total energy: -2602.776377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.776377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.776377 (E_RNA) where: Base-Base interactions energy: -1836.212 where: short stacking energy: -763.076 Base-Backbone interact. energy: -1.339 local terms energy: -765.225565 where: bonds (distance) C4'-P energy: -132.715 bonds (distance) P-C4' energy: -131.898 flat angles C4'-P-C4' energy: -154.730 flat angles P-C4'-P energy: -106.341 tors. eta vs tors. theta energy: -239.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2486.691801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.691801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.691801 (E_RNA) where: Base-Base interactions energy: -1763.555 where: short stacking energy: -702.556 Base-Backbone interact. energy: -1.924 local terms energy: -721.212833 where: bonds (distance) C4'-P energy: -123.110 bonds (distance) P-C4' energy: -136.515 flat angles C4'-P-C4' energy: -140.585 flat angles P-C4'-P energy: -114.130 tors. eta vs tors. theta energy: -206.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2483.846866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.846866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.846866 (E_RNA) where: Base-Base interactions energy: -1788.791 where: short stacking energy: -739.655 Base-Backbone interact. energy: -3.670 local terms energy: -691.386348 where: bonds (distance) C4'-P energy: -111.481 bonds (distance) P-C4' energy: -117.865 flat angles C4'-P-C4' energy: -146.214 flat angles P-C4'-P energy: -96.191 tors. eta vs tors. theta energy: -219.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2381.231410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.231410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.231410 (E_RNA) where: Base-Base interactions energy: -1680.429 where: short stacking energy: -695.721 Base-Backbone interact. energy: -2.666 local terms energy: -698.136437 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -117.180 flat angles C4'-P-C4' energy: -153.140 flat angles P-C4'-P energy: -94.917 tors. eta vs tors. theta energy: -204.497 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: 406 Temperature: 1.150000 Total energy: -2292.902330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.902330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.902330 (E_RNA) where: Base-Base interactions energy: -1600.774 where: short stacking energy: -641.990 Base-Backbone interact. energy: -2.594 local terms energy: -689.534728 where: bonds (distance) C4'-P energy: -127.758 bonds (distance) P-C4' energy: -129.053 flat angles C4'-P-C4' energy: -133.262 flat angles P-C4'-P energy: -97.476 tors. eta vs tors. theta energy: -201.985 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: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2195.471697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.471697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.471697 (E_RNA) where: Base-Base interactions energy: -1552.892 where: short stacking energy: -607.415 Base-Backbone interact. energy: -2.550 local terms energy: -640.029089 where: bonds (distance) C4'-P energy: -119.777 bonds (distance) P-C4' energy: -121.828 flat angles C4'-P-C4' energy: -147.523 flat angles P-C4'-P energy: -79.552 tors. eta vs tors. theta energy: -171.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -2077.335324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.335324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.335324 (E_RNA) where: Base-Base interactions energy: -1442.263 where: short stacking energy: -584.830 Base-Backbone interact. energy: -1.583 local terms energy: -633.489822 where: bonds (distance) C4'-P energy: -136.522 bonds (distance) P-C4' energy: -104.066 flat angles C4'-P-C4' energy: -134.058 flat angles P-C4'-P energy: -77.202 tors. eta vs tors. theta energy: -181.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1922.152049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.152049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.152049 (E_RNA) where: Base-Base interactions energy: -1368.344 where: short stacking energy: -556.761 Base-Backbone interact. energy: 2.399 local terms energy: -556.207369 where: bonds (distance) C4'-P energy: -120.192 bonds (distance) P-C4' energy: -93.165 flat angles C4'-P-C4' energy: -119.196 flat angles P-C4'-P energy: -70.287 tors. eta vs tors. theta energy: -153.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1210.798156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.798156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.798156 (E_RNA) where: Base-Base interactions energy: -775.667 where: short stacking energy: -329.836 Base-Backbone interact. energy: 3.943 local terms energy: -439.073555 where: bonds (distance) C4'-P energy: -98.389 bonds (distance) P-C4' energy: -113.268 flat angles C4'-P-C4' energy: -104.391 flat angles P-C4'-P energy: -61.186 tors. eta vs tors. theta energy: -61.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2696.197812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.197812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.197812 (E_RNA) where: Base-Base interactions energy: -1922.236 where: short stacking energy: -777.260 Base-Backbone interact. energy: -1.945 local terms energy: -772.016816 where: bonds (distance) C4'-P energy: -117.925 bonds (distance) P-C4' energy: -146.560 flat angles C4'-P-C4' energy: -167.135 flat angles P-C4'-P energy: -102.870 tors. eta vs tors. theta energy: -237.526 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: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2612.414468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.414468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.414468 (E_RNA) where: Base-Base interactions energy: -1849.147 where: short stacking energy: -770.329 Base-Backbone interact. energy: 3.554 local terms energy: -766.821888 where: bonds (distance) C4'-P energy: -131.021 bonds (distance) P-C4' energy: -125.842 flat angles C4'-P-C4' energy: -154.989 flat angles P-C4'-P energy: -109.878 tors. eta vs tors. theta energy: -245.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2500.383748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.383748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.383748 (E_RNA) where: Base-Base interactions energy: -1814.889 where: short stacking energy: -719.249 Base-Backbone interact. energy: -1.041 local terms energy: -684.453880 where: bonds (distance) C4'-P energy: -121.999 bonds (distance) P-C4' energy: -113.214 flat angles C4'-P-C4' energy: -144.915 flat angles P-C4'-P energy: -99.587 tors. eta vs tors. theta energy: -204.739 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: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2493.785346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.785346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.785346 (E_RNA) where: Base-Base interactions energy: -1796.001 where: short stacking energy: -724.174 Base-Backbone interact. energy: -0.497 local terms energy: -697.287722 where: bonds (distance) C4'-P energy: -123.022 bonds (distance) P-C4' energy: -126.752 flat angles C4'-P-C4' energy: -146.739 flat angles P-C4'-P energy: -88.164 tors. eta vs tors. theta energy: -212.610 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: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2394.139400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.139400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.139400 (E_RNA) where: Base-Base interactions energy: -1704.532 where: short stacking energy: -695.735 Base-Backbone interact. energy: -3.201 local terms energy: -686.406810 where: bonds (distance) C4'-P energy: -115.664 bonds (distance) P-C4' energy: -110.483 flat angles C4'-P-C4' energy: -147.281 flat angles P-C4'-P energy: -101.872 tors. eta vs tors. theta energy: -211.107 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: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2198.742095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.742095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.742095 (E_RNA) where: Base-Base interactions energy: -1578.535 where: short stacking energy: -649.786 Base-Backbone interact. energy: -1.139 local terms energy: -619.068224 where: bonds (distance) C4'-P energy: -109.812 bonds (distance) P-C4' energy: -94.478 flat angles C4'-P-C4' energy: -129.421 flat angles P-C4'-P energy: -100.259 tors. eta vs tors. theta energy: -185.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2166.630605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.630605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.630605 (E_RNA) where: Base-Base interactions energy: -1540.930 where: short stacking energy: -655.340 Base-Backbone interact. energy: -1.307 local terms energy: -624.393877 where: bonds (distance) C4'-P energy: -100.148 bonds (distance) P-C4' energy: -95.959 flat angles C4'-P-C4' energy: -141.632 flat angles P-C4'-P energy: -88.213 tors. eta vs tors. theta energy: -198.442 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: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2059.253586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.253586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.253586 (E_RNA) where: Base-Base interactions energy: -1489.544 where: short stacking energy: -613.094 Base-Backbone interact. energy: 4.466 local terms energy: -574.175355 where: bonds (distance) C4'-P energy: -94.722 bonds (distance) P-C4' energy: -91.814 flat angles C4'-P-C4' energy: -133.817 flat angles P-C4'-P energy: -84.287 tors. eta vs tors. theta energy: -169.536 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: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1825.962861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.962861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.962861 (E_RNA) where: Base-Base interactions energy: -1280.255 where: short stacking energy: -536.377 Base-Backbone interact. energy: 2.389 local terms energy: -548.097132 where: bonds (distance) C4'-P energy: -95.431 bonds (distance) P-C4' energy: -103.312 flat angles C4'-P-C4' energy: -124.966 flat angles P-C4'-P energy: -86.099 tors. eta vs tors. theta energy: -138.289 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: 407 Temperature: 1.350000 Total energy: -1198.453852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.453852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.453852 (E_RNA) where: Base-Base interactions energy: -766.087 where: short stacking energy: -337.021 Base-Backbone interact. energy: -2.241 local terms energy: -430.125880 where: bonds (distance) C4'-P energy: -89.786 bonds (distance) P-C4' energy: -122.960 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -36.696 tors. eta vs tors. theta energy: -68.026 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: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2689.681993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.681993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.681993 (E_RNA) where: Base-Base interactions energy: -1906.130 where: short stacking energy: -777.622 Base-Backbone interact. energy: -3.285 local terms energy: -780.266794 where: bonds (distance) C4'-P energy: -135.353 bonds (distance) P-C4' energy: -133.337 flat angles C4'-P-C4' energy: -159.493 flat angles P-C4'-P energy: -111.578 tors. eta vs tors. theta energy: -240.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2648.185126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.185126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.185126 (E_RNA) where: Base-Base interactions energy: -1867.204 where: short stacking energy: -806.422 Base-Backbone interact. energy: -1.742 local terms energy: -779.239549 where: bonds (distance) C4'-P energy: -115.362 bonds (distance) P-C4' energy: -138.120 flat angles C4'-P-C4' energy: -161.174 flat angles P-C4'-P energy: -118.553 tors. eta vs tors. theta energy: -246.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2517.648720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.648720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.648720 (E_RNA) where: Base-Base interactions energy: -1800.963 where: short stacking energy: -745.572 Base-Backbone interact. energy: 3.292 local terms energy: -719.978273 where: bonds (distance) C4'-P energy: -127.416 bonds (distance) P-C4' energy: -114.064 flat angles C4'-P-C4' energy: -150.736 flat angles P-C4'-P energy: -98.598 tors. eta vs tors. theta energy: -229.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2426.915592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.915592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.915592 (E_RNA) where: Base-Base interactions energy: -1727.864 where: short stacking energy: -684.204 Base-Backbone interact. energy: -1.002 local terms energy: -698.049579 where: bonds (distance) C4'-P energy: -132.618 bonds (distance) P-C4' energy: -117.420 flat angles C4'-P-C4' energy: -150.497 flat angles P-C4'-P energy: -90.803 tors. eta vs tors. theta energy: -206.711 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: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2419.857090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.857090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.857090 (E_RNA) where: Base-Base interactions energy: -1749.254 where: short stacking energy: -715.672 Base-Backbone interact. energy: -2.845 local terms energy: -667.758563 where: bonds (distance) C4'-P energy: -107.866 bonds (distance) P-C4' energy: -105.441 flat angles C4'-P-C4' energy: -140.231 flat angles P-C4'-P energy: -90.859 tors. eta vs tors. theta energy: -223.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2275.288833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.288833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.288833 (E_RNA) where: Base-Base interactions energy: -1630.581 where: short stacking energy: -657.465 Base-Backbone interact. energy: -1.496 local terms energy: -643.211734 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -139.284 flat angles P-C4'-P energy: -88.436 tors. eta vs tors. theta energy: -185.069 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: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2040.991817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.991817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.991817 (E_RNA) where: Base-Base interactions energy: -1426.579 where: short stacking energy: -595.387 Base-Backbone interact. energy: -1.075 local terms energy: -613.338417 where: bonds (distance) C4'-P energy: -125.950 bonds (distance) P-C4' energy: -117.832 flat angles C4'-P-C4' energy: -128.580 flat angles P-C4'-P energy: -76.708 tors. eta vs tors. theta energy: -164.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -2022.530436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.530436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.530436 (E_RNA) where: Base-Base interactions energy: -1420.040 where: short stacking energy: -579.270 Base-Backbone interact. energy: -2.379 local terms energy: -600.111143 where: bonds (distance) C4'-P energy: -108.638 bonds (distance) P-C4' energy: -101.455 flat angles C4'-P-C4' energy: -131.781 flat angles P-C4'-P energy: -90.782 tors. eta vs tors. theta energy: -167.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1819.928252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.928252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.928252 (E_RNA) where: Base-Base interactions energy: -1265.474 where: short stacking energy: -495.832 Base-Backbone interact. energy: -0.077 local terms energy: -554.377115 where: bonds (distance) C4'-P energy: -107.390 bonds (distance) P-C4' energy: -101.981 flat angles C4'-P-C4' energy: -117.421 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: -140.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1214.341132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.341132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.341132 (E_RNA) where: Base-Base interactions energy: -810.309 where: short stacking energy: -349.531 Base-Backbone interact. energy: -0.536 local terms energy: -403.496783 where: bonds (distance) C4'-P energy: -85.888 bonds (distance) P-C4' energy: -111.505 flat angles C4'-P-C4' energy: -114.446 flat angles P-C4'-P energy: -50.166 tors. eta vs tors. theta energy: -41.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2700.785332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.785332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.785332 (E_RNA) where: Base-Base interactions energy: -1916.980 where: short stacking energy: -786.168 Base-Backbone interact. energy: -1.226 local terms energy: -782.579620 where: bonds (distance) C4'-P energy: -144.871 bonds (distance) P-C4' energy: -129.440 flat angles C4'-P-C4' energy: -156.081 flat angles P-C4'-P energy: -110.309 tors. eta vs tors. theta energy: -241.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2619.841990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.841990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.841990 (E_RNA) where: Base-Base interactions energy: -1854.922 where: short stacking energy: -767.394 Base-Backbone interact. energy: -1.820 local terms energy: -763.100183 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -133.758 flat angles C4'-P-C4' energy: -150.017 flat angles P-C4'-P energy: -101.009 tors. eta vs tors. theta energy: -242.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2567.186055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.186055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.186055 (E_RNA) where: Base-Base interactions energy: -1822.837 where: short stacking energy: -728.220 Base-Backbone interact. energy: -1.272 local terms energy: -743.076897 where: bonds (distance) C4'-P energy: -134.310 bonds (distance) P-C4' energy: -138.680 flat angles C4'-P-C4' energy: -146.843 flat angles P-C4'-P energy: -103.955 tors. eta vs tors. theta energy: -219.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2455.326883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.326883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.326883 (E_RNA) where: Base-Base interactions energy: -1756.781 where: short stacking energy: -727.148 Base-Backbone interact. energy: -0.593 local terms energy: -697.953081 where: bonds (distance) C4'-P energy: -127.305 bonds (distance) P-C4' energy: -119.276 flat angles C4'-P-C4' energy: -145.056 flat angles P-C4'-P energy: -88.293 tors. eta vs tors. theta energy: -218.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2400.247597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.247597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.247597 (E_RNA) where: Base-Base interactions energy: -1710.623 where: short stacking energy: -674.072 Base-Backbone interact. energy: -1.769 local terms energy: -687.855949 where: bonds (distance) C4'-P energy: -122.688 bonds (distance) P-C4' energy: -129.012 flat angles C4'-P-C4' energy: -134.257 flat angles P-C4'-P energy: -91.001 tors. eta vs tors. theta energy: -210.898 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: 6, replica: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2236.996088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.996088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.996088 (E_RNA) where: Base-Base interactions energy: -1597.722 where: short stacking energy: -654.632 Base-Backbone interact. energy: 2.482 local terms energy: -641.756125 where: bonds (distance) C4'-P energy: -108.730 bonds (distance) P-C4' energy: -109.761 flat angles C4'-P-C4' energy: -143.184 flat angles P-C4'-P energy: -86.457 tors. eta vs tors. theta energy: -193.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2084.396405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.396405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.396405 (E_RNA) where: Base-Base interactions energy: -1456.982 where: short stacking energy: -624.858 Base-Backbone interact. energy: 2.313 local terms energy: -629.727323 where: bonds (distance) C4'-P energy: -119.885 bonds (distance) P-C4' energy: -120.225 flat angles C4'-P-C4' energy: -131.646 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -175.523 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: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2045.933742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.933742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.933742 (E_RNA) where: Base-Base interactions energy: -1411.267 where: short stacking energy: -576.129 Base-Backbone interact. energy: -0.850 local terms energy: -633.816787 where: bonds (distance) C4'-P energy: -125.693 bonds (distance) P-C4' energy: -122.319 flat angles C4'-P-C4' energy: -124.988 flat angles P-C4'-P energy: -88.484 tors. eta vs tors. theta energy: -172.333 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: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1833.108099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.108099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.108099 (E_RNA) where: Base-Base interactions energy: -1288.082 where: short stacking energy: -502.452 Base-Backbone interact. energy: -0.545 local terms energy: -544.480878 where: bonds (distance) C4'-P energy: -105.641 bonds (distance) P-C4' energy: -103.846 flat angles C4'-P-C4' energy: -117.531 flat angles P-C4'-P energy: -79.156 tors. eta vs tors. theta energy: -138.307 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: 409 Temperature: 1.350000 Total energy: -1281.211116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.211116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.211116 (E_RNA) where: Base-Base interactions energy: -845.253 where: short stacking energy: -332.348 Base-Backbone interact. energy: 0.844 local terms energy: -436.802730 where: bonds (distance) C4'-P energy: -106.579 bonds (distance) P-C4' energy: -109.946 flat angles C4'-P-C4' energy: -105.078 flat angles P-C4'-P energy: -56.891 tors. eta vs tors. theta energy: -58.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2700.747136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.747136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.747136 (E_RNA) where: Base-Base interactions energy: -1918.559 where: short stacking energy: -782.869 Base-Backbone interact. energy: -2.670 local terms energy: -779.517683 where: bonds (distance) C4'-P energy: -120.149 bonds (distance) P-C4' energy: -132.399 flat angles C4'-P-C4' energy: -170.255 flat angles P-C4'-P energy: -118.437 tors. eta vs tors. theta energy: -238.277 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: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2603.651780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.651780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.651780 (E_RNA) where: Base-Base interactions energy: -1845.233 where: short stacking energy: -779.355 Base-Backbone interact. energy: -0.127 local terms energy: -758.291802 where: bonds (distance) C4'-P energy: -127.967 bonds (distance) P-C4' energy: -132.201 flat angles C4'-P-C4' energy: -158.983 flat angles P-C4'-P energy: -99.719 tors. eta vs tors. theta energy: -239.422 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: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2568.051654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.051654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.051654 (E_RNA) where: Base-Base interactions energy: -1815.084 where: short stacking energy: -754.621 Base-Backbone interact. energy: -1.315 local terms energy: -751.652695 where: bonds (distance) C4'-P energy: -120.829 bonds (distance) P-C4' energy: -128.932 flat angles C4'-P-C4' energy: -167.017 flat angles P-C4'-P energy: -109.255 tors. eta vs tors. theta energy: -225.620 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: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2464.663624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.663624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.663624 (E_RNA) where: Base-Base interactions energy: -1746.861 where: short stacking energy: -720.525 Base-Backbone interact. energy: -2.541 local terms energy: -715.261780 where: bonds (distance) C4'-P energy: -124.075 bonds (distance) P-C4' energy: -117.886 flat angles C4'-P-C4' energy: -159.475 flat angles P-C4'-P energy: -94.232 tors. eta vs tors. theta energy: -219.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2389.095642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.095642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.095642 (E_RNA) where: Base-Base interactions energy: -1708.126 where: short stacking energy: -698.532 Base-Backbone interact. energy: -2.097 local terms energy: -678.873131 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -126.308 flat angles C4'-P-C4' energy: -136.181 flat angles P-C4'-P energy: -97.394 tors. eta vs tors. theta energy: -195.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2287.438064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.438064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.438064 (E_RNA) where: Base-Base interactions energy: -1634.469 where: short stacking energy: -648.331 Base-Backbone interact. energy: 2.464 local terms energy: -655.432596 where: bonds (distance) C4'-P energy: -118.634 bonds (distance) P-C4' energy: -113.304 flat angles C4'-P-C4' energy: -137.574 flat angles P-C4'-P energy: -97.517 tors. eta vs tors. theta energy: -188.403 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: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2027.609739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.609739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.609739 (E_RNA) where: Base-Base interactions energy: -1427.601 where: short stacking energy: -565.924 Base-Backbone interact. energy: 2.257 local terms energy: -602.265529 where: bonds (distance) C4'-P energy: -86.318 bonds (distance) P-C4' energy: -131.116 flat angles C4'-P-C4' energy: -137.119 flat angles P-C4'-P energy: -82.632 tors. eta vs tors. theta energy: -165.080 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: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -2021.416315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.416315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.416315 (E_RNA) where: Base-Base interactions energy: -1463.792 where: short stacking energy: -600.553 Base-Backbone interact. energy: 6.506 local terms energy: -564.130948 where: bonds (distance) C4'-P energy: -88.931 bonds (distance) P-C4' energy: -101.152 flat angles C4'-P-C4' energy: -125.418 flat angles P-C4'-P energy: -74.353 tors. eta vs tors. theta energy: -174.277 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: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1793.252183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.252183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.252183 (E_RNA) where: Base-Base interactions energy: -1246.549 where: short stacking energy: -516.078 Base-Backbone interact. energy: -0.745 local terms energy: -545.958131 where: bonds (distance) C4'-P energy: -117.117 bonds (distance) P-C4' energy: -102.533 flat angles C4'-P-C4' energy: -119.962 flat angles P-C4'-P energy: -73.921 tors. eta vs tors. theta energy: -132.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1288.162547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.162547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.162547 (E_RNA) where: Base-Base interactions energy: -828.296 where: short stacking energy: -382.284 Base-Backbone interact. energy: 2.519 local terms energy: -462.385040 where: bonds (distance) C4'-P energy: -89.870 bonds (distance) P-C4' energy: -99.496 flat angles C4'-P-C4' energy: -123.083 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -70.097 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: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2713.799659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.799659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.799659 (E_RNA) where: Base-Base interactions energy: -1934.205 where: short stacking energy: -783.359 Base-Backbone interact. energy: -3.410 local terms energy: -776.184708 where: bonds (distance) C4'-P energy: -130.458 bonds (distance) P-C4' energy: -128.490 flat angles C4'-P-C4' energy: -161.876 flat angles P-C4'-P energy: -117.303 tors. eta vs tors. theta energy: -238.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2617.559572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.559572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.559572 (E_RNA) where: Base-Base interactions energy: -1843.876 where: short stacking energy: -779.253 Base-Backbone interact. energy: -0.731 local terms energy: -772.952769 where: bonds (distance) C4'-P energy: -133.116 bonds (distance) P-C4' energy: -135.976 flat angles C4'-P-C4' energy: -150.825 flat angles P-C4'-P energy: -107.992 tors. eta vs tors. theta energy: -245.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2573.046984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.046984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.046984 (E_RNA) where: Base-Base interactions energy: -1847.066 where: short stacking energy: -750.824 Base-Backbone interact. energy: -0.833 local terms energy: -725.148430 where: bonds (distance) C4'-P energy: -135.190 bonds (distance) P-C4' energy: -120.390 flat angles C4'-P-C4' energy: -151.563 flat angles P-C4'-P energy: -92.533 tors. eta vs tors. theta energy: -225.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2423.904845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.904845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.904845 (E_RNA) where: Base-Base interactions energy: -1725.817 where: short stacking energy: -707.027 Base-Backbone interact. energy: -1.524 local terms energy: -696.564202 where: bonds (distance) C4'-P energy: -106.843 bonds (distance) P-C4' energy: -130.834 flat angles C4'-P-C4' energy: -150.829 flat angles P-C4'-P energy: -96.596 tors. eta vs tors. theta energy: -211.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2338.466502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.466502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.466502 (E_RNA) where: Base-Base interactions energy: -1655.212 where: short stacking energy: -673.157 Base-Backbone interact. energy: -3.918 local terms energy: -679.336733 where: bonds (distance) C4'-P energy: -113.400 bonds (distance) P-C4' energy: -137.535 flat angles C4'-P-C4' energy: -139.586 flat angles P-C4'-P energy: -98.290 tors. eta vs tors. theta energy: -190.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2236.067872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.067872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.067872 (E_RNA) where: Base-Base interactions energy: -1582.858 where: short stacking energy: -660.232 Base-Backbone interact. energy: -1.133 local terms energy: -652.076613 where: bonds (distance) C4'-P energy: -124.933 bonds (distance) P-C4' energy: -115.878 flat angles C4'-P-C4' energy: -138.507 flat angles P-C4'-P energy: -82.859 tors. eta vs tors. theta energy: -189.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2080.480509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.480509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.480509 (E_RNA) where: Base-Base interactions energy: -1480.540 where: short stacking energy: -594.919 Base-Backbone interact. energy: 1.140 local terms energy: -601.080094 where: bonds (distance) C4'-P energy: -87.463 bonds (distance) P-C4' energy: -104.960 flat angles C4'-P-C4' energy: -142.417 flat angles P-C4'-P energy: -82.313 tors. eta vs tors. theta energy: -183.927 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: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2030.452265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.452265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.452265 (E_RNA) where: Base-Base interactions energy: -1410.797 where: short stacking energy: -594.898 Base-Backbone interact. energy: -1.604 local terms energy: -618.051947 where: bonds (distance) C4'-P energy: -105.153 bonds (distance) P-C4' energy: -103.880 flat angles C4'-P-C4' energy: -141.839 flat angles P-C4'-P energy: -89.338 tors. eta vs tors. theta energy: -177.842 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: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1843.532424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.532424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.532424 (E_RNA) where: Base-Base interactions energy: -1278.011 where: short stacking energy: -529.123 Base-Backbone interact. energy: 0.864 local terms energy: -566.385209 where: bonds (distance) C4'-P energy: -105.562 bonds (distance) P-C4' energy: -111.957 flat angles C4'-P-C4' energy: -125.633 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -150.531 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: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1309.536159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.536159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.536159 (E_RNA) where: Base-Base interactions energy: -840.147 where: short stacking energy: -367.475 Base-Backbone interact. energy: 0.976 local terms energy: -470.365220 where: bonds (distance) C4'-P energy: -99.389 bonds (distance) P-C4' energy: -114.423 flat angles C4'-P-C4' energy: -88.694 flat angles P-C4'-P energy: -78.395 tors. eta vs tors. theta energy: -89.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2706.242895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.242895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.242895 (E_RNA) where: Base-Base interactions energy: -1929.499 where: short stacking energy: -788.352 Base-Backbone interact. energy: -2.378 local terms energy: -774.366493 where: bonds (distance) C4'-P energy: -131.463 bonds (distance) P-C4' energy: -145.134 flat angles C4'-P-C4' energy: -152.735 flat angles P-C4'-P energy: -103.843 tors. eta vs tors. theta energy: -241.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2629.450720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.450720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.450720 (E_RNA) where: Base-Base interactions energy: -1828.899 where: short stacking energy: -779.919 Base-Backbone interact. energy: -1.355 local terms energy: -799.196790 where: bonds (distance) C4'-P energy: -141.185 bonds (distance) P-C4' energy: -128.955 flat angles C4'-P-C4' energy: -171.440 flat angles P-C4'-P energy: -112.975 tors. eta vs tors. theta energy: -244.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2555.434706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.434706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.434706 (E_RNA) where: Base-Base interactions energy: -1830.968 where: short stacking energy: -763.779 Base-Backbone interact. energy: 0.730 local terms energy: -725.196415 where: bonds (distance) C4'-P energy: -115.525 bonds (distance) P-C4' energy: -137.058 flat angles C4'-P-C4' energy: -149.076 flat angles P-C4'-P energy: -101.072 tors. eta vs tors. theta energy: -222.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2495.150934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.150934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.150934 (E_RNA) where: Base-Base interactions energy: -1800.366 where: short stacking energy: -726.747 Base-Backbone interact. energy: -3.040 local terms energy: -691.744975 where: bonds (distance) C4'-P energy: -114.292 bonds (distance) P-C4' energy: -122.376 flat angles C4'-P-C4' energy: -146.498 flat angles P-C4'-P energy: -105.917 tors. eta vs tors. theta energy: -202.661 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: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2355.976619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.976619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.976619 (E_RNA) where: Base-Base interactions energy: -1657.646 where: short stacking energy: -669.626 Base-Backbone interact. energy: -3.060 local terms energy: -695.270169 where: bonds (distance) C4'-P energy: -130.372 bonds (distance) P-C4' energy: -122.407 flat angles C4'-P-C4' energy: -147.467 flat angles P-C4'-P energy: -90.644 tors. eta vs tors. theta energy: -204.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2214.378600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.378600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.378600 (E_RNA) where: Base-Base interactions energy: -1565.818 where: short stacking energy: -629.607 Base-Backbone interact. energy: -1.917 local terms energy: -646.643357 where: bonds (distance) C4'-P energy: -128.267 bonds (distance) P-C4' energy: -109.819 flat angles C4'-P-C4' energy: -141.929 flat angles P-C4'-P energy: -82.337 tors. eta vs tors. theta energy: -184.291 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: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2137.951549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.951549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.951549 (E_RNA) where: Base-Base interactions energy: -1502.893 where: short stacking energy: -630.768 Base-Backbone interact. energy: -1.104 local terms energy: -633.955015 where: bonds (distance) C4'-P energy: -108.045 bonds (distance) P-C4' energy: -113.580 flat angles C4'-P-C4' energy: -131.255 flat angles P-C4'-P energy: -92.928 tors. eta vs tors. theta energy: -188.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1969.017545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.017545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.017545 (E_RNA) where: Base-Base interactions energy: -1394.019 where: short stacking energy: -563.617 Base-Backbone interact. energy: 0.722 local terms energy: -575.720209 where: bonds (distance) C4'-P energy: -115.491 bonds (distance) P-C4' energy: -113.354 flat angles C4'-P-C4' energy: -119.283 flat angles P-C4'-P energy: -69.079 tors. eta vs tors. theta energy: -158.513 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: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1881.264135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.264135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.264135 (E_RNA) where: Base-Base interactions energy: -1329.265 where: short stacking energy: -533.017 Base-Backbone interact. energy: -2.753 local terms energy: -549.246417 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -92.634 flat angles C4'-P-C4' energy: -123.445 flat angles P-C4'-P energy: -82.332 tors. eta vs tors. theta energy: -154.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1284.064891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.064891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.064891 (E_RNA) where: Base-Base interactions energy: -862.807 where: short stacking energy: -374.088 Base-Backbone interact. energy: -2.029 local terms energy: -419.228803 where: bonds (distance) C4'-P energy: -99.183 bonds (distance) P-C4' energy: -97.148 flat angles C4'-P-C4' energy: -113.425 flat angles P-C4'-P energy: -49.960 tors. eta vs tors. theta energy: -59.512 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: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2708.997279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.997279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.997279 (E_RNA) where: Base-Base interactions energy: -1910.625 where: short stacking energy: -758.546 Base-Backbone interact. energy: -2.323 local terms energy: -796.049520 where: bonds (distance) C4'-P energy: -136.386 bonds (distance) P-C4' energy: -138.019 flat angles C4'-P-C4' energy: -166.733 flat angles P-C4'-P energy: -111.286 tors. eta vs tors. theta energy: -243.624 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: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2602.294537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.294537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.294537 (E_RNA) where: Base-Base interactions energy: -1831.307 where: short stacking energy: -761.804 Base-Backbone interact. energy: -1.431 local terms energy: -769.556115 where: bonds (distance) C4'-P energy: -132.355 bonds (distance) P-C4' energy: -121.633 flat angles C4'-P-C4' energy: -158.287 flat angles P-C4'-P energy: -117.612 tors. eta vs tors. theta energy: -239.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2556.281287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.281287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.281287 (E_RNA) where: Base-Base interactions energy: -1832.969 where: short stacking energy: -767.828 Base-Backbone interact. energy: -1.102 local terms energy: -722.210613 where: bonds (distance) C4'-P energy: -116.466 bonds (distance) P-C4' energy: -125.065 flat angles C4'-P-C4' energy: -154.344 flat angles P-C4'-P energy: -102.644 tors. eta vs tors. theta energy: -223.691 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: 413 Temperature: 1.050000 Total energy: -2468.181572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.181572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.181572 (E_RNA) where: Base-Base interactions energy: -1750.342 where: short stacking energy: -730.961 Base-Backbone interact. energy: -2.930 local terms energy: -714.909315 where: bonds (distance) C4'-P energy: -116.681 bonds (distance) P-C4' energy: -121.024 flat angles C4'-P-C4' energy: -155.579 flat angles P-C4'-P energy: -108.533 tors. eta vs tors. theta energy: -213.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2381.014282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.014282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.014282 (E_RNA) where: Base-Base interactions energy: -1713.360 where: short stacking energy: -693.051 Base-Backbone interact. energy: -2.522 local terms energy: -665.132930 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -112.753 flat angles C4'-P-C4' energy: -138.143 flat angles P-C4'-P energy: -101.123 tors. eta vs tors. theta energy: -200.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2255.577194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.577194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.577194 (E_RNA) where: Base-Base interactions energy: -1592.540 where: short stacking energy: -635.920 Base-Backbone interact. energy: -1.388 local terms energy: -661.648779 where: bonds (distance) C4'-P energy: -116.758 bonds (distance) P-C4' energy: -122.271 flat angles C4'-P-C4' energy: -138.093 flat angles P-C4'-P energy: -99.495 tors. eta vs tors. theta energy: -185.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2117.275706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.275706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.275706 (E_RNA) where: Base-Base interactions energy: -1503.843 where: short stacking energy: -625.081 Base-Backbone interact. energy: -0.405 local terms energy: -613.027220 where: bonds (distance) C4'-P energy: -118.905 bonds (distance) P-C4' energy: -98.941 flat angles C4'-P-C4' energy: -132.630 flat angles P-C4'-P energy: -80.457 tors. eta vs tors. theta energy: -182.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1976.430505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.430505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.430505 (E_RNA) where: Base-Base interactions energy: -1365.035 where: short stacking energy: -570.789 Base-Backbone interact. energy: 0.141 local terms energy: -611.536592 where: bonds (distance) C4'-P energy: -105.064 bonds (distance) P-C4' energy: -112.764 flat angles C4'-P-C4' energy: -136.072 flat angles P-C4'-P energy: -76.108 tors. eta vs tors. theta energy: -181.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1921.727999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.727999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.727999 (E_RNA) where: Base-Base interactions energy: -1362.913 where: short stacking energy: -571.957 Base-Backbone interact. energy: 0.169 local terms energy: -558.984183 where: bonds (distance) C4'-P energy: -109.599 bonds (distance) P-C4' energy: -99.401 flat angles C4'-P-C4' energy: -121.059 flat angles P-C4'-P energy: -80.337 tors. eta vs tors. theta energy: -148.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1220.173239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.173239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.173239 (E_RNA) where: Base-Base interactions energy: -771.401 where: short stacking energy: -327.027 Base-Backbone interact. energy: -2.970 local terms energy: -445.801758 where: bonds (distance) C4'-P energy: -105.232 bonds (distance) P-C4' energy: -120.867 flat angles C4'-P-C4' energy: -88.606 flat angles P-C4'-P energy: -74.539 tors. eta vs tors. theta energy: -56.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2699.617348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.617348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.617348 (E_RNA) where: Base-Base interactions energy: -1920.495 where: short stacking energy: -777.595 Base-Backbone interact. energy: -1.033 local terms energy: -778.089773 where: bonds (distance) C4'-P energy: -138.060 bonds (distance) P-C4' energy: -137.859 flat angles C4'-P-C4' energy: -160.537 flat angles P-C4'-P energy: -106.128 tors. eta vs tors. theta energy: -235.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2594.122463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.122463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.122463 (E_RNA) where: Base-Base interactions energy: -1831.017 where: short stacking energy: -780.629 Base-Backbone interact. energy: -0.193 local terms energy: -762.913056 where: bonds (distance) C4'-P energy: -136.715 bonds (distance) P-C4' energy: -125.808 flat angles C4'-P-C4' energy: -155.249 flat angles P-C4'-P energy: -100.935 tors. eta vs tors. theta energy: -244.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2549.611215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.611215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.611215 (E_RNA) where: Base-Base interactions energy: -1804.307 where: short stacking energy: -744.622 Base-Backbone interact. energy: -2.190 local terms energy: -743.113937 where: bonds (distance) C4'-P energy: -127.498 bonds (distance) P-C4' energy: -122.436 flat angles C4'-P-C4' energy: -150.335 flat angles P-C4'-P energy: -112.436 tors. eta vs tors. theta energy: -230.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2434.227267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.227267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.227267 (E_RNA) where: Base-Base interactions energy: -1748.578 where: short stacking energy: -714.047 Base-Backbone interact. energy: -0.357 local terms energy: -685.291948 where: bonds (distance) C4'-P energy: -108.041 bonds (distance) P-C4' energy: -109.337 flat angles C4'-P-C4' energy: -146.624 flat angles P-C4'-P energy: -108.815 tors. eta vs tors. theta energy: -212.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2389.246391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.246391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.246391 (E_RNA) where: Base-Base interactions energy: -1689.476 where: short stacking energy: -668.162 Base-Backbone interact. energy: 1.531 local terms energy: -701.301181 where: bonds (distance) C4'-P energy: -117.234 bonds (distance) P-C4' energy: -135.206 flat angles C4'-P-C4' energy: -155.235 flat angles P-C4'-P energy: -90.471 tors. eta vs tors. theta energy: -203.156 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: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2272.628534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.628534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.628534 (E_RNA) where: Base-Base interactions energy: -1627.116 where: short stacking energy: -653.015 Base-Backbone interact. energy: -1.409 local terms energy: -644.103632 where: bonds (distance) C4'-P energy: -108.929 bonds (distance) P-C4' energy: -103.185 flat angles C4'-P-C4' energy: -141.436 flat angles P-C4'-P energy: -91.714 tors. eta vs tors. theta energy: -198.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2146.806470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.806470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.806470 (E_RNA) where: Base-Base interactions energy: -1516.750 where: short stacking energy: -632.024 Base-Backbone interact. energy: -1.089 local terms energy: -628.967610 where: bonds (distance) C4'-P energy: -117.480 bonds (distance) P-C4' energy: -113.750 flat angles C4'-P-C4' energy: -118.059 flat angles P-C4'-P energy: -92.900 tors. eta vs tors. theta energy: -186.779 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: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1954.979194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.979194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.979194 (E_RNA) where: Base-Base interactions energy: -1334.515 where: short stacking energy: -563.830 Base-Backbone interact. energy: -1.533 local terms energy: -618.930670 where: bonds (distance) C4'-P energy: -115.910 bonds (distance) P-C4' energy: -109.793 flat angles C4'-P-C4' energy: -145.312 flat angles P-C4'-P energy: -80.478 tors. eta vs tors. theta energy: -167.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1939.039051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.039051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.039051 (E_RNA) where: Base-Base interactions energy: -1377.755 where: short stacking energy: -559.273 Base-Backbone interact. energy: -0.401 local terms energy: -560.883239 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -108.710 flat angles C4'-P-C4' energy: -128.138 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -155.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1229.934768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.934768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.934768 (E_RNA) where: Base-Base interactions energy: -803.863 where: short stacking energy: -340.256 Base-Backbone interact. energy: 0.759 local terms energy: -426.829851 where: bonds (distance) C4'-P energy: -105.265 bonds (distance) P-C4' energy: -107.205 flat angles C4'-P-C4' energy: -91.470 flat angles P-C4'-P energy: -61.832 tors. eta vs tors. theta energy: -61.057 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: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2704.218978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.218978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.218978 (E_RNA) where: Base-Base interactions energy: -1928.800 where: short stacking energy: -763.915 Base-Backbone interact. energy: 4.969 local terms energy: -780.388915 where: bonds (distance) C4'-P energy: -126.398 bonds (distance) P-C4' energy: -133.343 flat angles C4'-P-C4' energy: -163.685 flat angles P-C4'-P energy: -117.678 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: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2612.728546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.728546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.728546 (E_RNA) where: Base-Base interactions energy: -1860.564 where: short stacking energy: -774.940 Base-Backbone interact. energy: -1.177 local terms energy: -750.987886 where: bonds (distance) C4'-P energy: -125.025 bonds (distance) P-C4' energy: -119.022 flat angles C4'-P-C4' energy: -158.828 flat angles P-C4'-P energy: -109.335 tors. eta vs tors. theta energy: -238.778 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: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2574.905620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.905620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.905620 (E_RNA) where: Base-Base interactions energy: -1831.966 where: short stacking energy: -759.955 Base-Backbone interact. energy: -1.403 local terms energy: -741.536510 where: bonds (distance) C4'-P energy: -129.150 bonds (distance) P-C4' energy: -120.390 flat angles C4'-P-C4' energy: -152.391 flat angles P-C4'-P energy: -107.997 tors. eta vs tors. theta energy: -231.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2391.717594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.717594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.717594 (E_RNA) where: Base-Base interactions energy: -1720.610 where: short stacking energy: -672.524 Base-Backbone interact. energy: -0.006 local terms energy: -671.102010 where: bonds (distance) C4'-P energy: -121.213 bonds (distance) P-C4' energy: -121.961 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -93.351 tors. eta vs tors. theta energy: -196.436 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: 415 Temperature: 1.100000 Total energy: -2363.229978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.229978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.229978 (E_RNA) where: Base-Base interactions energy: -1683.676 where: short stacking energy: -686.137 Base-Backbone interact. energy: 1.646 local terms energy: -681.200348 where: bonds (distance) C4'-P energy: -109.738 bonds (distance) P-C4' energy: -122.712 flat angles C4'-P-C4' energy: -141.601 flat angles P-C4'-P energy: -99.773 tors. eta vs tors. theta energy: -207.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2256.416924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.416924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.416924 (E_RNA) where: Base-Base interactions energy: -1598.374 where: short stacking energy: -667.445 Base-Backbone interact. energy: -1.723 local terms energy: -656.319730 where: bonds (distance) C4'-P energy: -115.795 bonds (distance) P-C4' energy: -105.427 flat angles C4'-P-C4' energy: -149.519 flat angles P-C4'-P energy: -91.384 tors. eta vs tors. theta energy: -194.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2221.718129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.718129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.718129 (E_RNA) where: Base-Base interactions energy: -1590.883 where: short stacking energy: -663.116 Base-Backbone interact. energy: -1.199 local terms energy: -629.635764 where: bonds (distance) C4'-P energy: -108.103 bonds (distance) P-C4' energy: -101.098 flat angles C4'-P-C4' energy: -138.831 flat angles P-C4'-P energy: -89.183 tors. eta vs tors. theta energy: -192.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1984.408548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.408548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.408548 (E_RNA) where: Base-Base interactions energy: -1391.856 where: short stacking energy: -584.972 Base-Backbone interact. energy: -1.379 local terms energy: -591.173507 where: bonds (distance) C4'-P energy: -110.378 bonds (distance) P-C4' energy: -113.130 flat angles C4'-P-C4' energy: -123.130 flat angles P-C4'-P energy: -80.359 tors. eta vs tors. theta energy: -164.177 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: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1906.939877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.939877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.939877 (E_RNA) where: Base-Base interactions energy: -1345.773 where: short stacking energy: -531.710 Base-Backbone interact. energy: -1.046 local terms energy: -560.121071 where: bonds (distance) C4'-P energy: -103.916 bonds (distance) P-C4' energy: -95.934 flat angles C4'-P-C4' energy: -121.897 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -154.806 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: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1231.177531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.177531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.177531 (E_RNA) where: Base-Base interactions energy: -799.848 where: short stacking energy: -347.620 Base-Backbone interact. energy: 1.592 local terms energy: -432.922168 where: bonds (distance) C4'-P energy: -93.578 bonds (distance) P-C4' energy: -111.021 flat angles C4'-P-C4' energy: -100.908 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -60.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2693.040430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.040430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.040430 (E_RNA) where: Base-Base interactions energy: -1916.854 where: short stacking energy: -779.142 Base-Backbone interact. energy: 3.122 local terms energy: -779.308508 where: bonds (distance) C4'-P energy: -133.529 bonds (distance) P-C4' energy: -138.689 flat angles C4'-P-C4' energy: -162.183 flat angles P-C4'-P energy: -110.222 tors. eta vs tors. theta energy: -234.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2600.928427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.928427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.928427 (E_RNA) where: Base-Base interactions energy: -1836.794 where: short stacking energy: -781.027 Base-Backbone interact. energy: -1.060 local terms energy: -763.074172 where: bonds (distance) C4'-P energy: -132.955 bonds (distance) P-C4' energy: -127.612 flat angles C4'-P-C4' energy: -154.263 flat angles P-C4'-P energy: -107.135 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: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2527.998610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.998610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.998610 (E_RNA) where: Base-Base interactions energy: -1777.004 where: short stacking energy: -732.612 Base-Backbone interact. energy: 2.218 local terms energy: -753.212548 where: bonds (distance) C4'-P energy: -135.085 bonds (distance) P-C4' energy: -134.080 flat angles C4'-P-C4' energy: -155.234 flat angles P-C4'-P energy: -106.701 tors. eta vs tors. theta energy: -222.113 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: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2404.032535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.032535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.032535 (E_RNA) where: Base-Base interactions energy: -1738.431 where: short stacking energy: -701.580 Base-Backbone interact. energy: -1.131 local terms energy: -664.470866 where: bonds (distance) C4'-P energy: -108.535 bonds (distance) P-C4' energy: -109.716 flat angles C4'-P-C4' energy: -145.544 flat angles P-C4'-P energy: -96.670 tors. eta vs tors. theta energy: -204.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2405.395189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.395189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.395189 (E_RNA) where: Base-Base interactions energy: -1726.324 where: short stacking energy: -687.755 Base-Backbone interact. energy: -2.286 local terms energy: -676.784829 where: bonds (distance) C4'-P energy: -118.096 bonds (distance) P-C4' energy: -124.403 flat angles C4'-P-C4' energy: -150.310 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -201.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2219.938032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.938032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.938032 (E_RNA) where: Base-Base interactions energy: -1572.303 where: short stacking energy: -634.547 Base-Backbone interact. energy: 0.088 local terms energy: -647.723204 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -125.056 flat angles C4'-P-C4' energy: -135.044 flat angles P-C4'-P energy: -104.563 tors. eta vs tors. theta energy: -183.731 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: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2180.383672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.383672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.383672 (E_RNA) where: Base-Base interactions energy: -1533.735 where: short stacking energy: -624.831 Base-Backbone interact. energy: -1.050 local terms energy: -645.599333 where: bonds (distance) C4'-P energy: -100.552 bonds (distance) P-C4' energy: -111.018 flat angles C4'-P-C4' energy: -138.574 flat angles P-C4'-P energy: -97.795 tors. eta vs tors. theta energy: -197.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1962.800392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.800392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.800392 (E_RNA) where: Base-Base interactions energy: -1399.668 where: short stacking energy: -583.933 Base-Backbone interact. energy: -0.812 local terms energy: -562.320123 where: bonds (distance) C4'-P energy: -108.146 bonds (distance) P-C4' energy: -100.853 flat angles C4'-P-C4' energy: -116.640 flat angles P-C4'-P energy: -71.791 tors. eta vs tors. theta energy: -164.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1887.835863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.835863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.835863 (E_RNA) where: Base-Base interactions energy: -1302.406 where: short stacking energy: -560.442 Base-Backbone interact. energy: -0.382 local terms energy: -585.048234 where: bonds (distance) C4'-P energy: -94.610 bonds (distance) P-C4' energy: -105.130 flat angles C4'-P-C4' energy: -134.477 flat angles P-C4'-P energy: -92.181 tors. eta vs tors. theta energy: -158.651 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: 416 Temperature: 1.350000 Total energy: -1207.162096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.162096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.162096 (E_RNA) where: Base-Base interactions energy: -788.294 where: short stacking energy: -354.829 Base-Backbone interact. energy: -2.694 local terms energy: -416.174842 where: bonds (distance) C4'-P energy: -107.875 bonds (distance) P-C4' energy: -114.635 flat angles C4'-P-C4' energy: -94.863 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -60.477 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: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2711.254368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.254368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.254368 (E_RNA) where: Base-Base interactions energy: -1920.180 where: short stacking energy: -782.397 Base-Backbone interact. energy: -2.430 local terms energy: -788.644142 where: bonds (distance) C4'-P energy: -128.858 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -170.882 flat angles P-C4'-P energy: -118.887 tors. eta vs tors. theta energy: -245.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2581.674887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.674887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.674887 (E_RNA) where: Base-Base interactions energy: -1816.664 where: short stacking energy: -763.014 Base-Backbone interact. energy: -1.759 local terms energy: -763.251811 where: bonds (distance) C4'-P energy: -133.886 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -152.721 flat angles P-C4'-P energy: -108.835 tors. eta vs tors. theta energy: -242.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2549.549054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.549054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.549054 (E_RNA) where: Base-Base interactions energy: -1815.201 where: short stacking energy: -735.796 Base-Backbone interact. energy: 3.317 local terms energy: -737.665411 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -113.692 flat angles C4'-P-C4' energy: -149.844 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -228.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2412.354927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.354927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.354927 (E_RNA) where: Base-Base interactions energy: -1716.119 where: short stacking energy: -677.165 Base-Backbone interact. energy: -2.163 local terms energy: -694.072795 where: bonds (distance) C4'-P energy: -114.417 bonds (distance) P-C4' energy: -125.564 flat angles C4'-P-C4' energy: -149.776 flat angles P-C4'-P energy: -93.486 tors. eta vs tors. theta energy: -210.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2324.263609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.263609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.263609 (E_RNA) where: Base-Base interactions energy: -1660.435 where: short stacking energy: -658.053 Base-Backbone interact. energy: -1.205 local terms energy: -662.623687 where: bonds (distance) C4'-P energy: -119.165 bonds (distance) P-C4' energy: -104.037 flat angles C4'-P-C4' energy: -138.687 flat angles P-C4'-P energy: -101.068 tors. eta vs tors. theta energy: -199.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2278.398213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.398213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.398213 (E_RNA) where: Base-Base interactions energy: -1654.767 where: short stacking energy: -691.641 Base-Backbone interact. energy: -1.832 local terms energy: -621.799275 where: bonds (distance) C4'-P energy: -93.261 bonds (distance) P-C4' energy: -89.695 flat angles C4'-P-C4' energy: -152.078 flat angles P-C4'-P energy: -86.180 tors. eta vs tors. theta energy: -200.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2136.168722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.168722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.168722 (E_RNA) where: Base-Base interactions energy: -1543.692 where: short stacking energy: -628.555 Base-Backbone interact. energy: 2.194 local terms energy: -594.670725 where: bonds (distance) C4'-P energy: -90.366 bonds (distance) P-C4' energy: -106.260 flat angles C4'-P-C4' energy: -142.710 flat angles P-C4'-P energy: -83.333 tors. eta vs tors. theta energy: -172.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1920.494058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.494058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.494058 (E_RNA) where: Base-Base interactions energy: -1375.177 where: short stacking energy: -559.112 Base-Backbone interact. energy: 0.182 local terms energy: -545.499511 where: bonds (distance) C4'-P energy: -91.756 bonds (distance) P-C4' energy: -109.058 flat angles C4'-P-C4' energy: -113.229 flat angles P-C4'-P energy: -80.133 tors. eta vs tors. theta energy: -151.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1895.949053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.949053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.949053 (E_RNA) where: Base-Base interactions energy: -1329.316 where: short stacking energy: -547.272 Base-Backbone interact. energy: -0.291 local terms energy: -566.342663 where: bonds (distance) C4'-P energy: -89.651 bonds (distance) P-C4' energy: -111.913 flat angles C4'-P-C4' energy: -134.658 flat angles P-C4'-P energy: -84.414 tors. eta vs tors. theta energy: -145.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1188.784582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.784582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.784582 (E_RNA) where: Base-Base interactions energy: -750.487 where: short stacking energy: -332.666 Base-Backbone interact. energy: 0.909 local terms energy: -439.206307 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -111.350 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -55.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2731.394174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.394174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.394174 (E_RNA) where: Base-Base interactions energy: -1946.406 where: short stacking energy: -799.605 Base-Backbone interact. energy: 0.048 local terms energy: -785.036505 where: bonds (distance) C4'-P energy: -122.900 bonds (distance) P-C4' energy: -141.023 flat angles C4'-P-C4' energy: -157.825 flat angles P-C4'-P energy: -124.712 tors. eta vs tors. theta energy: -238.576 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: 418 Temperature: 0.950000 Total energy: -2598.069494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.069494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.069494 (E_RNA) where: Base-Base interactions energy: -1836.362 where: short stacking energy: -782.166 Base-Backbone interact. energy: -1.581 local terms energy: -760.126169 where: bonds (distance) C4'-P energy: -126.605 bonds (distance) P-C4' energy: -132.890 flat angles C4'-P-C4' energy: -150.071 flat angles P-C4'-P energy: -110.897 tors. eta vs tors. theta energy: -239.664 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: 418 Temperature: 1.000000 Total energy: -2532.216069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.216069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.216069 (E_RNA) where: Base-Base interactions energy: -1799.011 where: short stacking energy: -744.162 Base-Backbone interact. energy: -0.145 local terms energy: -733.060847 where: bonds (distance) C4'-P energy: -121.474 bonds (distance) P-C4' energy: -123.659 flat angles C4'-P-C4' energy: -154.221 flat angles P-C4'-P energy: -104.336 tors. eta vs tors. theta energy: -229.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2410.995317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.995317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.995317 (E_RNA) where: Base-Base interactions energy: -1701.940 where: short stacking energy: -679.295 Base-Backbone interact. energy: -2.065 local terms energy: -706.990149 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -128.785 flat angles C4'-P-C4' energy: -149.586 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -204.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2335.416839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.416839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.416839 (E_RNA) where: Base-Base interactions energy: -1661.917 where: short stacking energy: -656.348 Base-Backbone interact. energy: -3.442 local terms energy: -670.057625 where: bonds (distance) C4'-P energy: -115.804 bonds (distance) P-C4' energy: -113.740 flat angles C4'-P-C4' energy: -139.059 flat angles P-C4'-P energy: -106.319 tors. eta vs tors. theta energy: -195.135 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: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2238.042787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.042787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.042787 (E_RNA) where: Base-Base interactions energy: -1592.996 where: short stacking energy: -646.113 Base-Backbone interact. energy: -1.274 local terms energy: -643.772913 where: bonds (distance) C4'-P energy: -121.174 bonds (distance) P-C4' energy: -119.408 flat angles C4'-P-C4' energy: -133.827 flat angles P-C4'-P energy: -85.733 tors. eta vs tors. theta energy: -183.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2176.115987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.115987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.115987 (E_RNA) where: Base-Base interactions energy: -1530.732 where: short stacking energy: -608.017 Base-Backbone interact. energy: -2.403 local terms energy: -642.981160 where: bonds (distance) C4'-P energy: -102.617 bonds (distance) P-C4' energy: -121.592 flat angles C4'-P-C4' energy: -140.819 flat angles P-C4'-P energy: -95.989 tors. eta vs tors. theta energy: -181.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1876.595039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.595039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.595039 (E_RNA) where: Base-Base interactions energy: -1312.497 where: short stacking energy: -536.394 Base-Backbone interact. energy: -1.552 local terms energy: -562.546465 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -122.760 flat angles P-C4'-P energy: -81.479 tors. eta vs tors. theta energy: -131.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1952.925949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.925949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.925949 (E_RNA) where: Base-Base interactions energy: -1365.702 where: short stacking energy: -538.798 Base-Backbone interact. energy: -0.246 local terms energy: -586.978383 where: bonds (distance) C4'-P energy: -98.445 bonds (distance) P-C4' energy: -118.634 flat angles C4'-P-C4' energy: -118.763 flat angles P-C4'-P energy: -84.070 tors. eta vs tors. theta energy: -167.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1226.400814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.400814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.400814 (E_RNA) where: Base-Base interactions energy: -779.618 where: short stacking energy: -363.884 Base-Backbone interact. energy: 4.584 local terms energy: -451.366022 where: bonds (distance) C4'-P energy: -114.426 bonds (distance) P-C4' energy: -94.864 flat angles C4'-P-C4' energy: -117.342 flat angles P-C4'-P energy: -64.929 tors. eta vs tors. theta energy: -59.805 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: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2696.493430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.493430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.493430 (E_RNA) where: Base-Base interactions energy: -1895.424 where: short stacking energy: -774.996 Base-Backbone interact. energy: -0.349 local terms energy: -800.720153 where: bonds (distance) C4'-P energy: -141.503 bonds (distance) P-C4' energy: -139.551 flat angles C4'-P-C4' energy: -165.671 flat angles P-C4'-P energy: -117.944 tors. eta vs tors. theta energy: -236.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2602.555241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.555241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.555241 (E_RNA) where: Base-Base interactions energy: -1825.966 where: short stacking energy: -762.473 Base-Backbone interact. energy: -0.531 local terms energy: -776.057901 where: bonds (distance) C4'-P energy: -124.291 bonds (distance) P-C4' energy: -133.541 flat angles C4'-P-C4' energy: -162.394 flat angles P-C4'-P energy: -111.407 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: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2518.014498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.014498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.014498 (E_RNA) where: Base-Base interactions energy: -1797.323 where: short stacking energy: -750.714 Base-Backbone interact. energy: 0.158 local terms energy: -720.849192 where: bonds (distance) C4'-P energy: -115.207 bonds (distance) P-C4' energy: -124.856 flat angles C4'-P-C4' energy: -153.205 flat angles P-C4'-P energy: -104.676 tors. eta vs tors. theta energy: -222.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2423.264575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.264575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.264575 (E_RNA) where: Base-Base interactions energy: -1719.743 where: short stacking energy: -679.069 Base-Backbone interact. energy: 0.703 local terms energy: -704.224637 where: bonds (distance) C4'-P energy: -125.633 bonds (distance) P-C4' energy: -118.584 flat angles C4'-P-C4' energy: -146.303 flat angles P-C4'-P energy: -107.788 tors. eta vs tors. theta energy: -205.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2367.659294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.659294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.659294 (E_RNA) where: Base-Base interactions energy: -1682.588 where: short stacking energy: -677.842 Base-Backbone interact. energy: -1.042 local terms energy: -684.029345 where: bonds (distance) C4'-P energy: -122.974 bonds (distance) P-C4' energy: -135.174 flat angles C4'-P-C4' energy: -150.127 flat angles P-C4'-P energy: -86.935 tors. eta vs tors. theta energy: -188.819 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: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2258.953230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.953230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.953230 (E_RNA) where: Base-Base interactions energy: -1600.352 where: short stacking energy: -652.634 Base-Backbone interact. energy: -3.417 local terms energy: -655.184594 where: bonds (distance) C4'-P energy: -100.195 bonds (distance) P-C4' energy: -104.432 flat angles C4'-P-C4' energy: -140.138 flat angles P-C4'-P energy: -112.850 tors. eta vs tors. theta energy: -197.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2128.599307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.599307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.599307 (E_RNA) where: Base-Base interactions energy: -1529.696 where: short stacking energy: -611.709 Base-Backbone interact. energy: -1.029 local terms energy: -597.874568 where: bonds (distance) C4'-P energy: -102.995 bonds (distance) P-C4' energy: -106.920 flat angles C4'-P-C4' energy: -120.153 flat angles P-C4'-P energy: -94.178 tors. eta vs tors. theta energy: -173.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1968.689322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.689322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.689322 (E_RNA) where: Base-Base interactions energy: -1393.758 where: short stacking energy: -556.529 Base-Backbone interact. energy: 2.350 local terms energy: -577.282236 where: bonds (distance) C4'-P energy: -100.685 bonds (distance) P-C4' energy: -111.380 flat angles C4'-P-C4' energy: -121.122 flat angles P-C4'-P energy: -79.507 tors. eta vs tors. theta energy: -164.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1775.159469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.159469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.159469 (E_RNA) where: Base-Base interactions energy: -1242.195 where: short stacking energy: -525.988 Base-Backbone interact. energy: 0.596 local terms energy: -533.560679 where: bonds (distance) C4'-P energy: -97.970 bonds (distance) P-C4' energy: -98.240 flat angles C4'-P-C4' energy: -110.084 flat angles P-C4'-P energy: -87.566 tors. eta vs tors. theta energy: -139.701 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: 419 Temperature: 1.350000 Total energy: -1148.672540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.672540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.672540 (E_RNA) where: Base-Base interactions energy: -718.783 where: short stacking energy: -341.275 Base-Backbone interact. energy: -1.002 local terms energy: -428.887054 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -112.715 flat angles C4'-P-C4' energy: -94.065 flat angles P-C4'-P energy: -47.687 tors. eta vs tors. theta energy: -63.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2693.880177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.880177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.880177 (E_RNA) where: Base-Base interactions energy: -1898.974 where: short stacking energy: -755.835 Base-Backbone interact. energy: 2.247 local terms energy: -797.153476 where: bonds (distance) C4'-P energy: -133.635 bonds (distance) P-C4' energy: -141.544 flat angles C4'-P-C4' energy: -168.237 flat angles P-C4'-P energy: -113.975 tors. eta vs tors. theta energy: -239.762 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: 2, replica: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2606.384460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.384460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.384460 (E_RNA) where: Base-Base interactions energy: -1838.093 where: short stacking energy: -776.485 Base-Backbone interact. energy: -2.617 local terms energy: -765.673825 where: bonds (distance) C4'-P energy: -133.350 bonds (distance) P-C4' energy: -121.033 flat angles C4'-P-C4' energy: -152.915 flat angles P-C4'-P energy: -111.981 tors. eta vs tors. theta energy: -246.395 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: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2524.517303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.517303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.517303 (E_RNA) where: Base-Base interactions energy: -1786.380 where: short stacking energy: -729.351 Base-Backbone interact. energy: -0.859 local terms energy: -737.278188 where: bonds (distance) C4'-P energy: -121.108 bonds (distance) P-C4' energy: -119.021 flat angles C4'-P-C4' energy: -166.746 flat angles P-C4'-P energy: -105.641 tors. eta vs tors. theta energy: -224.762 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: 420 Temperature: 1.050000 Total energy: -2420.603405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.603405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.603405 (E_RNA) where: Base-Base interactions energy: -1727.295 where: short stacking energy: -701.548 Base-Backbone interact. energy: -0.915 local terms energy: -692.393851 where: bonds (distance) C4'-P energy: -115.455 bonds (distance) P-C4' energy: -128.138 flat angles C4'-P-C4' energy: -142.753 flat angles P-C4'-P energy: -100.878 tors. eta vs tors. theta energy: -205.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2345.951476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.951476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.951476 (E_RNA) where: Base-Base interactions energy: -1653.717 where: short stacking energy: -649.774 Base-Backbone interact. energy: 0.155 local terms energy: -692.389231 where: bonds (distance) C4'-P energy: -121.013 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -152.891 flat angles P-C4'-P energy: -97.947 tors. eta vs tors. theta energy: -193.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2238.377555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.377555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.377555 (E_RNA) where: Base-Base interactions energy: -1584.408 where: short stacking energy: -676.771 Base-Backbone interact. energy: -0.165 local terms energy: -653.804293 where: bonds (distance) C4'-P energy: -101.321 bonds (distance) P-C4' energy: -127.119 flat angles C4'-P-C4' energy: -129.767 flat angles P-C4'-P energy: -95.952 tors. eta vs tors. theta energy: -199.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2152.336442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.336442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.336442 (E_RNA) where: Base-Base interactions energy: -1513.348 where: short stacking energy: -626.894 Base-Backbone interact. energy: -1.424 local terms energy: -637.564583 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -106.689 flat angles C4'-P-C4' energy: -141.189 flat angles P-C4'-P energy: -92.021 tors. eta vs tors. theta energy: -181.086 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: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1973.649037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.649037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.649037 (E_RNA) where: Base-Base interactions energy: -1389.266 where: short stacking energy: -590.638 Base-Backbone interact. energy: -0.854 local terms energy: -583.529692 where: bonds (distance) C4'-P energy: -96.162 bonds (distance) P-C4' energy: -104.578 flat angles C4'-P-C4' energy: -138.207 flat angles P-C4'-P energy: -70.866 tors. eta vs tors. theta energy: -173.716 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: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1756.274007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.274007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.274007 (E_RNA) where: Base-Base interactions energy: -1268.103 where: short stacking energy: -525.737 Base-Backbone interact. energy: -0.187 local terms energy: -487.984166 where: bonds (distance) C4'-P energy: -87.972 bonds (distance) P-C4' energy: -89.262 flat angles C4'-P-C4' energy: -111.268 flat angles P-C4'-P energy: -72.331 tors. eta vs tors. theta energy: -127.152 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: 420 Temperature: 1.350000 Total energy: -1146.933661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.933661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.933661 (E_RNA) where: Base-Base interactions energy: -687.966 where: short stacking energy: -326.409 Base-Backbone interact. energy: -1.790 local terms energy: -457.177446 where: bonds (distance) C4'-P energy: -97.659 bonds (distance) P-C4' energy: -109.174 flat angles C4'-P-C4' energy: -113.637 flat angles P-C4'-P energy: -82.200 tors. eta vs tors. theta energy: -54.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2713.845511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.845511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.845511 (E_RNA) where: Base-Base interactions energy: -1934.788 where: short stacking energy: -790.499 Base-Backbone interact. energy: -3.499 local terms energy: -775.558377 where: bonds (distance) C4'-P energy: -139.617 bonds (distance) P-C4' energy: -129.895 flat angles C4'-P-C4' energy: -165.122 flat angles P-C4'-P energy: -103.668 tors. eta vs tors. theta energy: -237.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2590.772333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.772333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.772333 (E_RNA) where: Base-Base interactions energy: -1835.161 where: short stacking energy: -750.401 Base-Backbone interact. energy: -0.408 local terms energy: -755.203397 where: bonds (distance) C4'-P energy: -124.730 bonds (distance) P-C4' energy: -128.135 flat angles C4'-P-C4' energy: -150.854 flat angles P-C4'-P energy: -112.970 tors. eta vs tors. theta energy: -238.515 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: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2535.621446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.621446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.621446 (E_RNA) where: Base-Base interactions energy: -1785.281 where: short stacking energy: -740.912 Base-Backbone interact. energy: -1.364 local terms energy: -748.976739 where: bonds (distance) C4'-P energy: -123.290 bonds (distance) P-C4' energy: -144.064 flat angles C4'-P-C4' energy: -147.555 flat angles P-C4'-P energy: -102.054 tors. eta vs tors. theta energy: -232.013 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: 421 Temperature: 1.050000 Total energy: -2436.016268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.016268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.016268 (E_RNA) where: Base-Base interactions energy: -1733.582 where: short stacking energy: -693.012 Base-Backbone interact. energy: -0.534 local terms energy: -701.899863 where: bonds (distance) C4'-P energy: -117.636 bonds (distance) P-C4' energy: -116.663 flat angles C4'-P-C4' energy: -152.199 flat angles P-C4'-P energy: -112.361 tors. eta vs tors. theta energy: -203.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2300.734647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.734647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.734647 (E_RNA) where: Base-Base interactions energy: -1635.672 where: short stacking energy: -678.623 Base-Backbone interact. energy: 1.860 local terms energy: -666.923118 where: bonds (distance) C4'-P energy: -126.443 bonds (distance) P-C4' energy: -104.933 flat angles C4'-P-C4' energy: -142.822 flat angles P-C4'-P energy: -93.624 tors. eta vs tors. theta energy: -199.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2297.024222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.024222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.024222 (E_RNA) where: Base-Base interactions energy: -1647.678 where: short stacking energy: -658.466 Base-Backbone interact. energy: -0.333 local terms energy: -649.013417 where: bonds (distance) C4'-P energy: -103.409 bonds (distance) P-C4' energy: -110.461 flat angles C4'-P-C4' energy: -140.118 flat angles P-C4'-P energy: -90.880 tors. eta vs tors. theta energy: -204.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2159.260725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.260725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.260725 (E_RNA) where: Base-Base interactions energy: -1536.582 where: short stacking energy: -604.135 Base-Backbone interact. energy: -2.830 local terms energy: -619.848199 where: bonds (distance) C4'-P energy: -120.904 bonds (distance) P-C4' energy: -114.573 flat angles C4'-P-C4' energy: -131.784 flat angles P-C4'-P energy: -84.861 tors. eta vs tors. theta energy: -167.727 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: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1955.082252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.082252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.082252 (E_RNA) where: Base-Base interactions energy: -1376.534 where: short stacking energy: -573.862 Base-Backbone interact. energy: -0.386 local terms energy: -578.162170 where: bonds (distance) C4'-P energy: -82.289 bonds (distance) P-C4' energy: -110.451 flat angles C4'-P-C4' energy: -132.218 flat angles P-C4'-P energy: -86.803 tors. eta vs tors. theta energy: -166.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1806.747886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.747886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.747886 (E_RNA) where: Base-Base interactions energy: -1252.231 where: short stacking energy: -536.556 Base-Backbone interact. energy: 0.284 local terms energy: -554.800440 where: bonds (distance) C4'-P energy: -125.416 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -106.929 flat angles P-C4'-P energy: -67.575 tors. eta vs tors. theta energy: -140.804 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: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1165.583373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.583373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.583373 (E_RNA) where: Base-Base interactions energy: -740.852 where: short stacking energy: -328.667 Base-Backbone interact. energy: -0.838 local terms energy: -423.893673 where: bonds (distance) C4'-P energy: -105.401 bonds (distance) P-C4' energy: -104.678 flat angles C4'-P-C4' energy: -105.199 flat angles P-C4'-P energy: -61.984 tors. eta vs tors. theta energy: -46.632 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: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2681.320243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.320243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.320243 (E_RNA) where: Base-Base interactions energy: -1899.945 where: short stacking energy: -772.801 Base-Backbone interact. energy: -2.014 local terms energy: -779.361250 where: bonds (distance) C4'-P energy: -132.794 bonds (distance) P-C4' energy: -136.997 flat angles C4'-P-C4' energy: -166.521 flat angles P-C4'-P energy: -107.997 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: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2584.367411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.367411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.367411 (E_RNA) where: Base-Base interactions energy: -1838.259 where: short stacking energy: -773.876 Base-Backbone interact. energy: -1.988 local terms energy: -744.120664 where: bonds (distance) C4'-P energy: -126.747 bonds (distance) P-C4' energy: -122.750 flat angles C4'-P-C4' energy: -156.857 flat angles P-C4'-P energy: -105.693 tors. eta vs tors. theta energy: -232.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2520.950428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.950428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.950428 (E_RNA) where: Base-Base interactions energy: -1782.018 where: short stacking energy: -745.316 Base-Backbone interact. energy: -3.299 local terms energy: -735.634011 where: bonds (distance) C4'-P energy: -120.427 bonds (distance) P-C4' energy: -121.606 flat angles C4'-P-C4' energy: -156.135 flat angles P-C4'-P energy: -105.515 tors. eta vs tors. theta energy: -231.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2380.010927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.010927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.010927 (E_RNA) where: Base-Base interactions energy: -1692.207 where: short stacking energy: -687.296 Base-Backbone interact. energy: -2.366 local terms energy: -685.438352 where: bonds (distance) C4'-P energy: -119.044 bonds (distance) P-C4' energy: -117.894 flat angles C4'-P-C4' energy: -152.684 flat angles P-C4'-P energy: -99.717 tors. eta vs tors. theta energy: -196.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2322.073603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.073603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.073603 (E_RNA) where: Base-Base interactions energy: -1669.514 where: short stacking energy: -680.669 Base-Backbone interact. energy: -0.901 local terms energy: -651.658735 where: bonds (distance) C4'-P energy: -113.775 bonds (distance) P-C4' energy: -121.548 flat angles C4'-P-C4' energy: -148.727 flat angles P-C4'-P energy: -66.932 tors. eta vs tors. theta energy: -200.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2295.856948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.856948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.856948 (E_RNA) where: Base-Base interactions energy: -1638.480 where: short stacking energy: -653.868 Base-Backbone interact. energy: -1.900 local terms energy: -655.476949 where: bonds (distance) C4'-P energy: -112.533 bonds (distance) P-C4' energy: -114.002 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -92.526 tors. eta vs tors. theta energy: -189.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2218.783759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.783759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.783759 (E_RNA) where: Base-Base interactions energy: -1548.231 where: short stacking energy: -618.720 Base-Backbone interact. energy: 0.997 local terms energy: -671.549938 where: bonds (distance) C4'-P energy: -121.994 bonds (distance) P-C4' energy: -129.487 flat angles C4'-P-C4' energy: -143.582 flat angles P-C4'-P energy: -79.421 tors. eta vs tors. theta energy: -197.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1934.820462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.820462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.820462 (E_RNA) where: Base-Base interactions energy: -1347.234 where: short stacking energy: -559.800 Base-Backbone interact. energy: -0.905 local terms energy: -586.680709 where: bonds (distance) C4'-P energy: -91.910 bonds (distance) P-C4' energy: -104.973 flat angles C4'-P-C4' energy: -136.542 flat angles P-C4'-P energy: -100.522 tors. eta vs tors. theta energy: -152.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1824.939681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.939681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.939681 (E_RNA) where: Base-Base interactions energy: -1270.789 where: short stacking energy: -542.428 Base-Backbone interact. energy: 5.693 local terms energy: -559.844367 where: bonds (distance) C4'-P energy: -115.146 bonds (distance) P-C4' energy: -111.523 flat angles C4'-P-C4' energy: -129.182 flat angles P-C4'-P energy: -67.598 tors. eta vs tors. theta energy: -136.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1181.565571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.565571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.565571 (E_RNA) where: Base-Base interactions energy: -764.827 where: short stacking energy: -327.419 Base-Backbone interact. energy: 3.837 local terms energy: -420.575678 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -104.789 flat angles C4'-P-C4' energy: -114.705 flat angles P-C4'-P energy: -54.062 tors. eta vs tors. theta energy: -34.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2681.739753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.739753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.739753 (E_RNA) where: Base-Base interactions energy: -1897.536 where: short stacking energy: -774.532 Base-Backbone interact. energy: -0.671 local terms energy: -783.532443 where: bonds (distance) C4'-P energy: -134.289 bonds (distance) P-C4' energy: -136.548 flat angles C4'-P-C4' energy: -170.275 flat angles P-C4'-P energy: -103.544 tors. eta vs tors. theta energy: -238.877 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: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2597.460694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.460694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.460694 (E_RNA) where: Base-Base interactions energy: -1849.485 where: short stacking energy: -796.397 Base-Backbone interact. energy: -1.717 local terms energy: -746.258402 where: bonds (distance) C4'-P energy: -116.257 bonds (distance) P-C4' energy: -116.114 flat angles C4'-P-C4' energy: -156.810 flat angles P-C4'-P energy: -106.118 tors. eta vs tors. theta energy: -250.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2511.113950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.113950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.113950 (E_RNA) where: Base-Base interactions energy: -1746.652 where: short stacking energy: -716.685 Base-Backbone interact. energy: -2.833 local terms energy: -761.629004 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -139.733 flat angles C4'-P-C4' energy: -155.944 flat angles P-C4'-P energy: -104.955 tors. eta vs tors. theta energy: -224.081 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: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2420.246846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.246846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.246846 (E_RNA) where: Base-Base interactions energy: -1733.488 where: short stacking energy: -715.384 Base-Backbone interact. energy: 6.702 local terms energy: -693.461021 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -120.865 flat angles C4'-P-C4' energy: -149.350 flat angles P-C4'-P energy: -111.599 tors. eta vs tors. theta energy: -204.052 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: 423 Temperature: 1.100000 Total energy: -2311.529503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.529503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.529503 (E_RNA) where: Base-Base interactions energy: -1647.263 where: short stacking energy: -668.539 Base-Backbone interact. energy: -2.145 local terms energy: -662.121383 where: bonds (distance) C4'-P energy: -113.719 bonds (distance) P-C4' energy: -122.432 flat angles C4'-P-C4' energy: -131.525 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -209.241 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: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2279.980902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.980902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.980902 (E_RNA) where: Base-Base interactions energy: -1627.201 where: short stacking energy: -660.490 Base-Backbone interact. energy: 7.055 local terms energy: -659.834790 where: bonds (distance) C4'-P energy: -114.024 bonds (distance) P-C4' energy: -112.805 flat angles C4'-P-C4' energy: -143.735 flat angles P-C4'-P energy: -90.640 tors. eta vs tors. theta energy: -198.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2115.989483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.989483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.989483 (E_RNA) where: Base-Base interactions energy: -1501.166 where: short stacking energy: -587.886 Base-Backbone interact. energy: 2.740 local terms energy: -617.563488 where: bonds (distance) C4'-P energy: -118.442 bonds (distance) P-C4' energy: -122.577 flat angles C4'-P-C4' energy: -119.738 flat angles P-C4'-P energy: -85.305 tors. eta vs tors. theta energy: -171.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1946.890681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.890681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.890681 (E_RNA) where: Base-Base interactions energy: -1370.507 where: short stacking energy: -558.693 Base-Backbone interact. energy: 0.969 local terms energy: -577.352851 where: bonds (distance) C4'-P energy: -111.663 bonds (distance) P-C4' energy: -102.619 flat angles C4'-P-C4' energy: -120.612 flat angles P-C4'-P energy: -85.554 tors. eta vs tors. theta energy: -156.905 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: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1809.982259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.982259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.982259 (E_RNA) where: Base-Base interactions energy: -1232.859 where: short stacking energy: -520.590 Base-Backbone interact. energy: -2.806 local terms energy: -574.316562 where: bonds (distance) C4'-P energy: -109.893 bonds (distance) P-C4' energy: -91.368 flat angles C4'-P-C4' energy: -132.559 flat angles P-C4'-P energy: -98.120 tors. eta vs tors. theta energy: -142.376 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: 423 Temperature: 1.350000 Total energy: -1172.336152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.336152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.336152 (E_RNA) where: Base-Base interactions energy: -763.989 where: short stacking energy: -334.788 Base-Backbone interact. energy: -0.528 local terms energy: -407.819491 where: bonds (distance) C4'-P energy: -102.276 bonds (distance) P-C4' energy: -91.375 flat angles C4'-P-C4' energy: -97.106 flat angles P-C4'-P energy: -73.564 tors. eta vs tors. theta energy: -43.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2715.454966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.454966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.454966 (E_RNA) where: Base-Base interactions energy: -1927.835 where: short stacking energy: -793.014 Base-Backbone interact. energy: -4.585 local terms energy: -783.034681 where: bonds (distance) C4'-P energy: -133.249 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -159.722 flat angles P-C4'-P energy: -117.532 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: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2597.236189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.236189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.236189 (E_RNA) where: Base-Base interactions energy: -1822.932 where: short stacking energy: -785.160 Base-Backbone interact. energy: -1.646 local terms energy: -772.658089 where: bonds (distance) C4'-P energy: -126.185 bonds (distance) P-C4' energy: -135.921 flat angles C4'-P-C4' energy: -163.169 flat angles P-C4'-P energy: -102.355 tors. eta vs tors. theta energy: -245.029 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: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2521.456831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.456831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.456831 (E_RNA) where: Base-Base interactions energy: -1796.977 where: short stacking energy: -745.432 Base-Backbone interact. energy: -0.274 local terms energy: -724.205858 where: bonds (distance) C4'-P energy: -128.750 bonds (distance) P-C4' energy: -123.854 flat angles C4'-P-C4' energy: -143.230 flat angles P-C4'-P energy: -96.977 tors. eta vs tors. theta energy: -231.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2380.058785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.058785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.058785 (E_RNA) where: Base-Base interactions energy: -1695.047 where: short stacking energy: -703.150 Base-Backbone interact. energy: 0.217 local terms energy: -685.228936 where: bonds (distance) C4'-P energy: -117.998 bonds (distance) P-C4' energy: -104.240 flat angles C4'-P-C4' energy: -154.204 flat angles P-C4'-P energy: -105.059 tors. eta vs tors. theta energy: -203.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2312.159564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.159564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.159564 (E_RNA) where: Base-Base interactions energy: -1640.906 where: short stacking energy: -668.303 Base-Backbone interact. energy: -3.545 local terms energy: -667.708350 where: bonds (distance) C4'-P energy: -113.093 bonds (distance) P-C4' energy: -120.934 flat angles C4'-P-C4' energy: -146.412 flat angles P-C4'-P energy: -81.521 tors. eta vs tors. theta energy: -205.748 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: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2290.714987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.714987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.714987 (E_RNA) where: Base-Base interactions energy: -1625.639 where: short stacking energy: -646.489 Base-Backbone interact. energy: 3.986 local terms energy: -669.062049 where: bonds (distance) C4'-P energy: -110.656 bonds (distance) P-C4' energy: -121.207 flat angles C4'-P-C4' energy: -146.513 flat angles P-C4'-P energy: -92.302 tors. eta vs tors. theta energy: -198.384 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: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2127.695829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.695829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.695829 (E_RNA) where: Base-Base interactions energy: -1496.772 where: short stacking energy: -591.171 Base-Backbone interact. energy: 0.120 local terms energy: -631.044379 where: bonds (distance) C4'-P energy: -93.924 bonds (distance) P-C4' energy: -129.331 flat angles C4'-P-C4' energy: -130.202 flat angles P-C4'-P energy: -102.600 tors. eta vs tors. theta energy: -174.988 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: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1932.464435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.464435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.464435 (E_RNA) where: Base-Base interactions energy: -1358.109 where: short stacking energy: -553.475 Base-Backbone interact. energy: -1.935 local terms energy: -572.420182 where: bonds (distance) C4'-P energy: -127.045 bonds (distance) P-C4' energy: -94.892 flat angles C4'-P-C4' energy: -119.159 flat angles P-C4'-P energy: -81.539 tors. eta vs tors. theta energy: -149.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1762.644902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.644902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.644902 (E_RNA) where: Base-Base interactions energy: -1203.470 where: short stacking energy: -488.068 Base-Backbone interact. energy: 1.758 local terms energy: -560.932423 where: bonds (distance) C4'-P energy: -102.044 bonds (distance) P-C4' energy: -94.719 flat angles C4'-P-C4' energy: -137.010 flat angles P-C4'-P energy: -87.281 tors. eta vs tors. theta energy: -139.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1174.788632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.788632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.788632 (E_RNA) where: Base-Base interactions energy: -749.472 where: short stacking energy: -332.274 Base-Backbone interact. energy: 5.516 local terms energy: -430.832774 where: bonds (distance) C4'-P energy: -94.092 bonds (distance) P-C4' energy: -119.330 flat angles C4'-P-C4' energy: -109.930 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -56.122 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: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2721.281225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.281225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.281225 (E_RNA) where: Base-Base interactions energy: -1923.755 where: short stacking energy: -798.187 Base-Backbone interact. energy: 1.165 local terms energy: -798.691509 where: bonds (distance) C4'-P energy: -145.074 bonds (distance) P-C4' energy: -133.926 flat angles C4'-P-C4' energy: -165.554 flat angles P-C4'-P energy: -119.869 tors. eta vs tors. theta energy: -234.269 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: 425 Temperature: 0.950000 Total energy: -2597.979941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.979941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.979941 (E_RNA) where: Base-Base interactions energy: -1812.400 where: short stacking energy: -760.433 Base-Backbone interact. energy: -0.790 local terms energy: -784.790222 where: bonds (distance) C4'-P energy: -139.470 bonds (distance) P-C4' energy: -129.866 flat angles C4'-P-C4' energy: -164.942 flat angles P-C4'-P energy: -108.906 tors. eta vs tors. theta energy: -241.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2529.424103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.424103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.424103 (E_RNA) where: Base-Base interactions energy: -1784.140 where: short stacking energy: -741.522 Base-Backbone interact. energy: -0.640 local terms energy: -744.643871 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -141.146 flat angles C4'-P-C4' energy: -157.997 flat angles P-C4'-P energy: -99.076 tors. eta vs tors. theta energy: -234.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2395.716986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.716986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.716986 (E_RNA) where: Base-Base interactions energy: -1698.698 where: short stacking energy: -673.558 Base-Backbone interact. energy: -1.142 local terms energy: -695.877161 where: bonds (distance) C4'-P energy: -122.478 bonds (distance) P-C4' energy: -139.102 flat angles C4'-P-C4' energy: -139.341 flat angles P-C4'-P energy: -92.244 tors. eta vs tors. theta energy: -202.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2354.163262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.163262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.163262 (E_RNA) where: Base-Base interactions energy: -1676.609 where: short stacking energy: -674.226 Base-Backbone interact. energy: 1.104 local terms energy: -678.658472 where: bonds (distance) C4'-P energy: -115.548 bonds (distance) P-C4' energy: -123.481 flat angles C4'-P-C4' energy: -137.218 flat angles P-C4'-P energy: -89.948 tors. eta vs tors. theta energy: -212.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2358.957906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.957906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.957906 (E_RNA) where: Base-Base interactions energy: -1678.968 where: short stacking energy: -666.263 Base-Backbone interact. energy: -1.478 local terms energy: -678.512044 where: bonds (distance) C4'-P energy: -115.934 bonds (distance) P-C4' energy: -114.387 flat angles C4'-P-C4' energy: -140.219 flat angles P-C4'-P energy: -102.030 tors. eta vs tors. theta energy: -205.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2206.272676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.272676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.272676 (E_RNA) where: Base-Base interactions energy: -1574.381 where: short stacking energy: -626.787 Base-Backbone interact. energy: -3.723 local terms energy: -628.169124 where: bonds (distance) C4'-P energy: -96.606 bonds (distance) P-C4' energy: -119.319 flat angles C4'-P-C4' energy: -141.712 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: -188.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1894.965973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.965973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.965973 (E_RNA) where: Base-Base interactions energy: -1309.255 where: short stacking energy: -529.006 Base-Backbone interact. energy: -0.926 local terms energy: -584.785668 where: bonds (distance) C4'-P energy: -113.966 bonds (distance) P-C4' energy: -120.267 flat angles C4'-P-C4' energy: -132.083 flat angles P-C4'-P energy: -73.455 tors. eta vs tors. theta energy: -145.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1735.847677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.847677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.847677 (E_RNA) where: Base-Base interactions energy: -1177.835 where: short stacking energy: -487.881 Base-Backbone interact. energy: 2.125 local terms energy: -560.137720 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -114.306 flat angles C4'-P-C4' energy: -122.669 flat angles P-C4'-P energy: -86.680 tors. eta vs tors. theta energy: -137.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1257.372584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.372584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.372584 (E_RNA) where: Base-Base interactions energy: -824.985 where: short stacking energy: -349.244 Base-Backbone interact. energy: -2.664 local terms energy: -429.723671 where: bonds (distance) C4'-P energy: -109.120 bonds (distance) P-C4' energy: -113.757 flat angles C4'-P-C4' energy: -101.630 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -47.800 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: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2702.442945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.442945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.442945 (E_RNA) where: Base-Base interactions energy: -1944.750 where: short stacking energy: -778.896 Base-Backbone interact. energy: -2.266 local terms energy: -755.426937 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -122.959 flat angles C4'-P-C4' energy: -157.490 flat angles P-C4'-P energy: -113.846 tors. eta vs tors. theta energy: -239.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2583.442502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.442502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.442502 (E_RNA) where: Base-Base interactions energy: -1810.745 where: short stacking energy: -740.995 Base-Backbone interact. energy: -1.930 local terms energy: -770.766878 where: bonds (distance) C4'-P energy: -128.974 bonds (distance) P-C4' energy: -124.593 flat angles C4'-P-C4' energy: -164.363 flat angles P-C4'-P energy: -107.238 tors. eta vs tors. theta energy: -245.599 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: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2513.063040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.063040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.063040 (E_RNA) where: Base-Base interactions energy: -1816.578 where: short stacking energy: -749.043 Base-Backbone interact. energy: 1.152 local terms energy: -697.637284 where: bonds (distance) C4'-P energy: -134.440 bonds (distance) P-C4' energy: -103.550 flat angles C4'-P-C4' energy: -136.154 flat angles P-C4'-P energy: -112.457 tors. eta vs tors. theta energy: -211.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2416.220451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.220451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.220451 (E_RNA) where: Base-Base interactions energy: -1738.331 where: short stacking energy: -693.638 Base-Backbone interact. energy: 1.965 local terms energy: -679.854271 where: bonds (distance) C4'-P energy: -114.107 bonds (distance) P-C4' energy: -123.805 flat angles C4'-P-C4' energy: -144.416 flat angles P-C4'-P energy: -104.028 tors. eta vs tors. theta energy: -193.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2427.133670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.133670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.133670 (E_RNA) where: Base-Base interactions energy: -1748.938 where: short stacking energy: -693.059 Base-Backbone interact. energy: -1.901 local terms energy: -676.294306 where: bonds (distance) C4'-P energy: -113.982 bonds (distance) P-C4' energy: -115.169 flat angles C4'-P-C4' energy: -136.234 flat angles P-C4'-P energy: -102.268 tors. eta vs tors. theta energy: -208.642 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: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2304.715599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.715599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.715599 (E_RNA) where: Base-Base interactions energy: -1649.740 where: short stacking energy: -662.198 Base-Backbone interact. energy: -3.077 local terms energy: -651.897922 where: bonds (distance) C4'-P energy: -119.929 bonds (distance) P-C4' energy: -129.952 flat angles C4'-P-C4' energy: -121.512 flat angles P-C4'-P energy: -86.041 tors. eta vs tors. theta energy: -194.464 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: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2193.779479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.779479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.779479 (E_RNA) where: Base-Base interactions energy: -1570.347 where: short stacking energy: -605.179 Base-Backbone interact. energy: -2.517 local terms energy: -620.915688 where: bonds (distance) C4'-P energy: -116.683 bonds (distance) P-C4' energy: -112.294 flat angles C4'-P-C4' energy: -118.992 flat angles P-C4'-P energy: -94.856 tors. eta vs tors. theta energy: -178.090 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: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1914.377859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.377859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.377859 (E_RNA) where: Base-Base interactions energy: -1341.535 where: short stacking energy: -564.862 Base-Backbone interact. energy: -1.571 local terms energy: -571.272308 where: bonds (distance) C4'-P energy: -87.707 bonds (distance) P-C4' energy: -109.080 flat angles C4'-P-C4' energy: -126.029 flat angles P-C4'-P energy: -85.636 tors. eta vs tors. theta energy: -162.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1768.551584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.551584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.551584 (E_RNA) where: Base-Base interactions energy: -1213.764 where: short stacking energy: -518.671 Base-Backbone interact. energy: 0.464 local terms energy: -555.252213 where: bonds (distance) C4'-P energy: -112.176 bonds (distance) P-C4' energy: -89.902 flat angles C4'-P-C4' energy: -127.761 flat angles P-C4'-P energy: -77.330 tors. eta vs tors. theta energy: -148.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1291.913374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.913374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.913374 (E_RNA) where: Base-Base interactions energy: -816.325 where: short stacking energy: -345.830 Base-Backbone interact. energy: -1.076 local terms energy: -474.512063 where: bonds (distance) C4'-P energy: -109.265 bonds (distance) P-C4' energy: -113.873 flat angles C4'-P-C4' energy: -117.716 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -63.204 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: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2701.668161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.668161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.668161 (E_RNA) where: Base-Base interactions energy: -1923.589 where: short stacking energy: -777.490 Base-Backbone interact. energy: -2.593 local terms energy: -775.485453 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -161.651 flat angles P-C4'-P energy: -113.051 tors. eta vs tors. theta energy: -234.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2602.219153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.219153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.219153 (E_RNA) where: Base-Base interactions energy: -1843.889 where: short stacking energy: -760.630 Base-Backbone interact. energy: -0.350 local terms energy: -757.980465 where: bonds (distance) C4'-P energy: -127.626 bonds (distance) P-C4' energy: -121.518 flat angles C4'-P-C4' energy: -154.132 flat angles P-C4'-P energy: -117.525 tors. eta vs tors. theta energy: -237.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2523.461635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.461635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.461635 (E_RNA) where: Base-Base interactions energy: -1809.429 where: short stacking energy: -744.968 Base-Backbone interact. energy: 1.649 local terms energy: -715.681594 where: bonds (distance) C4'-P energy: -115.074 bonds (distance) P-C4' energy: -133.360 flat angles C4'-P-C4' energy: -145.528 flat angles P-C4'-P energy: -97.466 tors. eta vs tors. theta energy: -224.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2401.698573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.698573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.698573 (E_RNA) where: Base-Base interactions energy: -1705.286 where: short stacking energy: -684.392 Base-Backbone interact. energy: -0.378 local terms energy: -696.034616 where: bonds (distance) C4'-P energy: -134.680 bonds (distance) P-C4' energy: -112.584 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -96.838 tors. eta vs tors. theta energy: -201.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2413.642941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.642941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.642941 (E_RNA) where: Base-Base interactions energy: -1686.186 where: short stacking energy: -678.501 Base-Backbone interact. energy: -0.544 local terms energy: -726.913585 where: bonds (distance) C4'-P energy: -134.409 bonds (distance) P-C4' energy: -124.505 flat angles C4'-P-C4' energy: -158.471 flat angles P-C4'-P energy: -95.688 tors. eta vs tors. theta energy: -213.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2316.604524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.604524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.604524 (E_RNA) where: Base-Base interactions energy: -1643.068 where: short stacking energy: -679.935 Base-Backbone interact. energy: 1.022 local terms energy: -674.559003 where: bonds (distance) C4'-P energy: -115.109 bonds (distance) P-C4' energy: -107.003 flat angles C4'-P-C4' energy: -149.667 flat angles P-C4'-P energy: -92.876 tors. eta vs tors. theta energy: -209.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2187.131665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.131665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.131665 (E_RNA) where: Base-Base interactions energy: -1559.248 where: short stacking energy: -626.033 Base-Backbone interact. energy: -1.468 local terms energy: -626.415576 where: bonds (distance) C4'-P energy: -115.498 bonds (distance) P-C4' energy: -105.123 flat angles C4'-P-C4' energy: -130.009 flat angles P-C4'-P energy: -89.037 tors. eta vs tors. theta energy: -186.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1908.517071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.517071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.517071 (E_RNA) where: Base-Base interactions energy: -1330.069 where: short stacking energy: -547.793 Base-Backbone interact. energy: -2.716 local terms energy: -575.732069 where: bonds (distance) C4'-P energy: -106.205 bonds (distance) P-C4' energy: -114.375 flat angles C4'-P-C4' energy: -122.072 flat angles P-C4'-P energy: -66.161 tors. eta vs tors. theta energy: -166.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1779.439134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.439134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.439134 (E_RNA) where: Base-Base interactions energy: -1231.804 where: short stacking energy: -510.840 Base-Backbone interact. energy: -3.033 local terms energy: -544.602086 where: bonds (distance) C4'-P energy: -106.476 bonds (distance) P-C4' energy: -104.659 flat angles C4'-P-C4' energy: -120.229 flat angles P-C4'-P energy: -79.519 tors. eta vs tors. theta energy: -133.719 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: 427 Temperature: 1.350000 Total energy: -1286.058407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.058407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.058407 (E_RNA) where: Base-Base interactions energy: -853.302 where: short stacking energy: -378.762 Base-Backbone interact. energy: -0.945 local terms energy: -431.811208 where: bonds (distance) C4'-P energy: -91.798 bonds (distance) P-C4' energy: -114.742 flat angles C4'-P-C4' energy: -97.632 flat angles P-C4'-P energy: -60.155 tors. eta vs tors. theta energy: -67.485 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: 428 Temperature: 0.900000 Total energy: -2680.535883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.535883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.535883 (E_RNA) where: Base-Base interactions energy: -1901.865 where: short stacking energy: -767.064 Base-Backbone interact. energy: -1.253 local terms energy: -777.417920 where: bonds (distance) C4'-P energy: -140.734 bonds (distance) P-C4' energy: -130.334 flat angles C4'-P-C4' energy: -157.821 flat angles P-C4'-P energy: -112.567 tors. eta vs tors. theta energy: -235.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2583.500456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.500456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.500456 (E_RNA) where: Base-Base interactions energy: -1818.307 where: short stacking energy: -754.495 Base-Backbone interact. energy: -1.674 local terms energy: -763.519679 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -123.518 flat angles C4'-P-C4' energy: -158.229 flat angles P-C4'-P energy: -109.925 tors. eta vs tors. theta energy: -243.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2521.887454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.887454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.887454 (E_RNA) where: Base-Base interactions energy: -1826.006 where: short stacking energy: -736.076 Base-Backbone interact. energy: -0.317 local terms energy: -695.564718 where: bonds (distance) C4'-P energy: -112.388 bonds (distance) P-C4' energy: -118.790 flat angles C4'-P-C4' energy: -146.253 flat angles P-C4'-P energy: -105.343 tors. eta vs tors. theta energy: -212.791 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: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2420.403015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.403015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.403015 (E_RNA) where: Base-Base interactions energy: -1721.019 where: short stacking energy: -669.770 Base-Backbone interact. energy: -2.737 local terms energy: -696.646430 where: bonds (distance) C4'-P energy: -111.230 bonds (distance) P-C4' energy: -132.019 flat angles C4'-P-C4' energy: -157.765 flat angles P-C4'-P energy: -96.933 tors. eta vs tors. theta energy: -198.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2423.541293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.541293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.541293 (E_RNA) where: Base-Base interactions energy: -1731.391 where: short stacking energy: -689.188 Base-Backbone interact. energy: -2.908 local terms energy: -689.242349 where: bonds (distance) C4'-P energy: -115.785 bonds (distance) P-C4' energy: -117.446 flat angles C4'-P-C4' energy: -154.739 flat angles P-C4'-P energy: -92.593 tors. eta vs tors. theta energy: -208.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2318.188234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.188234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.188234 (E_RNA) where: Base-Base interactions energy: -1669.605 where: short stacking energy: -673.230 Base-Backbone interact. energy: -0.599 local terms energy: -647.984169 where: bonds (distance) C4'-P energy: -109.981 bonds (distance) P-C4' energy: -121.258 flat angles C4'-P-C4' energy: -128.580 flat angles P-C4'-P energy: -82.244 tors. eta vs tors. theta energy: -205.921 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: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2119.574822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.574822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.574822 (E_RNA) where: Base-Base interactions energy: -1513.183 where: short stacking energy: -618.023 Base-Backbone interact. energy: 2.357 local terms energy: -608.748983 where: bonds (distance) C4'-P energy: -113.069 bonds (distance) P-C4' energy: -113.059 flat angles C4'-P-C4' energy: -123.398 flat angles P-C4'-P energy: -81.643 tors. eta vs tors. theta energy: -177.580 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: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1920.762722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.762722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.762722 (E_RNA) where: Base-Base interactions energy: -1371.980 where: short stacking energy: -558.079 Base-Backbone interact. energy: -1.867 local terms energy: -546.916120 where: bonds (distance) C4'-P energy: -81.654 bonds (distance) P-C4' energy: -114.498 flat angles C4'-P-C4' energy: -110.992 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -153.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1810.817948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.817948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.817948 (E_RNA) where: Base-Base interactions energy: -1249.889 where: short stacking energy: -512.142 Base-Backbone interact. energy: 1.805 local terms energy: -562.734251 where: bonds (distance) C4'-P energy: -107.399 bonds (distance) P-C4' energy: -103.937 flat angles C4'-P-C4' energy: -116.165 flat angles P-C4'-P energy: -88.536 tors. eta vs tors. theta energy: -146.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1271.601768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.601768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.601768 (E_RNA) where: Base-Base interactions energy: -835.196 where: short stacking energy: -356.390 Base-Backbone interact. energy: -1.867 local terms energy: -434.539116 where: bonds (distance) C4'-P energy: -83.817 bonds (distance) P-C4' energy: -84.219 flat angles C4'-P-C4' energy: -122.828 flat angles P-C4'-P energy: -81.170 tors. eta vs tors. theta energy: -62.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2685.329227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.329227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.329227 (E_RNA) where: Base-Base interactions energy: -1915.562 where: short stacking energy: -790.891 Base-Backbone interact. energy: -3.362 local terms energy: -766.405198 where: bonds (distance) C4'-P energy: -136.036 bonds (distance) P-C4' energy: -129.544 flat angles C4'-P-C4' energy: -165.532 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -239.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2566.539203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.539203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.539203 (E_RNA) where: Base-Base interactions energy: -1824.535 where: short stacking energy: -755.385 Base-Backbone interact. energy: -1.094 local terms energy: -740.910124 where: bonds (distance) C4'-P energy: -122.145 bonds (distance) P-C4' energy: -125.730 flat angles C4'-P-C4' energy: -147.808 flat angles P-C4'-P energy: -111.636 tors. eta vs tors. theta energy: -233.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2537.606324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.606324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.606324 (E_RNA) where: Base-Base interactions energy: -1821.008 where: short stacking energy: -735.290 Base-Backbone interact. energy: -2.703 local terms energy: -713.895034 where: bonds (distance) C4'-P energy: -130.037 bonds (distance) P-C4' energy: -118.386 flat angles C4'-P-C4' energy: -154.779 flat angles P-C4'-P energy: -93.443 tors. eta vs tors. theta energy: -217.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2504.818351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.818351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.818351 (E_RNA) where: Base-Base interactions energy: -1801.634 where: short stacking energy: -738.546 Base-Backbone interact. energy: -0.305 local terms energy: -702.878709 where: bonds (distance) C4'-P energy: -108.850 bonds (distance) P-C4' energy: -117.274 flat angles C4'-P-C4' energy: -157.621 flat angles P-C4'-P energy: -98.547 tors. eta vs tors. theta energy: -220.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2402.321462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.321462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.321462 (E_RNA) where: Base-Base interactions energy: -1734.414 where: short stacking energy: -689.302 Base-Backbone interact. energy: -3.141 local terms energy: -664.766391 where: bonds (distance) C4'-P energy: -108.636 bonds (distance) P-C4' energy: -106.703 flat angles C4'-P-C4' energy: -149.158 flat angles P-C4'-P energy: -98.314 tors. eta vs tors. theta energy: -201.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2300.895623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.895623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.895623 (E_RNA) where: Base-Base interactions energy: -1642.295 where: short stacking energy: -651.815 Base-Backbone interact. energy: -2.454 local terms energy: -656.146325 where: bonds (distance) C4'-P energy: -105.874 bonds (distance) P-C4' energy: -113.905 flat angles C4'-P-C4' energy: -148.176 flat angles P-C4'-P energy: -91.601 tors. eta vs tors. theta energy: -196.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2056.009182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.009182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.009182 (E_RNA) where: Base-Base interactions energy: -1427.770 where: short stacking energy: -584.695 Base-Backbone interact. energy: -2.973 local terms energy: -625.266627 where: bonds (distance) C4'-P energy: -124.558 bonds (distance) P-C4' energy: -122.515 flat angles C4'-P-C4' energy: -137.176 flat angles P-C4'-P energy: -84.307 tors. eta vs tors. theta energy: -156.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1925.852750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.852750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.852750 (E_RNA) where: Base-Base interactions energy: -1345.273 where: short stacking energy: -576.721 Base-Backbone interact. energy: 0.110 local terms energy: -580.690336 where: bonds (distance) C4'-P energy: -103.127 bonds (distance) P-C4' energy: -103.249 flat angles C4'-P-C4' energy: -122.901 flat angles P-C4'-P energy: -78.836 tors. eta vs tors. theta energy: -172.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1874.788083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.788083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.788083 (E_RNA) where: Base-Base interactions energy: -1323.359 where: short stacking energy: -558.680 Base-Backbone interact. energy: -0.899 local terms energy: -550.530453 where: bonds (distance) C4'-P energy: -100.734 bonds (distance) P-C4' energy: -104.147 flat angles C4'-P-C4' energy: -113.089 flat angles P-C4'-P energy: -77.167 tors. eta vs tors. theta energy: -155.394 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: 429 Temperature: 1.350000 Total energy: -1262.861850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.861850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.861850 (E_RNA) where: Base-Base interactions energy: -804.798 where: short stacking energy: -359.571 Base-Backbone interact. energy: -1.096 local terms energy: -456.968125 where: bonds (distance) C4'-P energy: -110.829 bonds (distance) P-C4' energy: -103.491 flat angles C4'-P-C4' energy: -91.552 flat angles P-C4'-P energy: -75.571 tors. eta vs tors. theta energy: -75.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2715.668035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.668035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.668035 (E_RNA) where: Base-Base interactions energy: -1941.502 where: short stacking energy: -783.898 Base-Backbone interact. energy: 0.037 local terms energy: -774.203055 where: bonds (distance) C4'-P energy: -129.774 bonds (distance) P-C4' energy: -138.887 flat angles C4'-P-C4' energy: -156.256 flat angles P-C4'-P energy: -108.863 tors. eta vs tors. theta energy: -240.424 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: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2583.313421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.313421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.313421 (E_RNA) where: Base-Base interactions energy: -1827.167 where: short stacking energy: -759.406 Base-Backbone interact. energy: -1.724 local terms energy: -754.423221 where: bonds (distance) C4'-P energy: -118.679 bonds (distance) P-C4' energy: -137.956 flat angles C4'-P-C4' energy: -151.365 flat angles P-C4'-P energy: -107.263 tors. eta vs tors. theta energy: -239.161 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: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2575.432599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.432599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.432599 (E_RNA) where: Base-Base interactions energy: -1850.365 where: short stacking energy: -751.363 Base-Backbone interact. energy: -2.324 local terms energy: -722.743473 where: bonds (distance) C4'-P energy: -123.259 bonds (distance) P-C4' energy: -126.563 flat angles C4'-P-C4' energy: -148.014 flat angles P-C4'-P energy: -104.660 tors. eta vs tors. theta energy: -220.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2478.723964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.723964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.723964 (E_RNA) where: Base-Base interactions energy: -1788.430 where: short stacking energy: -724.925 Base-Backbone interact. energy: 2.790 local terms energy: -693.083667 where: bonds (distance) C4'-P energy: -99.991 bonds (distance) P-C4' energy: -139.885 flat angles C4'-P-C4' energy: -134.522 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -221.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2366.755302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.755302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.755302 (E_RNA) where: Base-Base interactions energy: -1699.541 where: short stacking energy: -677.232 Base-Backbone interact. energy: -0.284 local terms energy: -666.931081 where: bonds (distance) C4'-P energy: -118.798 bonds (distance) P-C4' energy: -104.308 flat angles C4'-P-C4' energy: -134.644 flat angles P-C4'-P energy: -100.457 tors. eta vs tors. theta energy: -208.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2251.555285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.555285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.555285 (E_RNA) where: Base-Base interactions energy: -1582.354 where: short stacking energy: -644.724 Base-Backbone interact. energy: 0.677 local terms energy: -669.878627 where: bonds (distance) C4'-P energy: -113.755 bonds (distance) P-C4' energy: -125.741 flat angles C4'-P-C4' energy: -146.912 flat angles P-C4'-P energy: -95.296 tors. eta vs tors. theta energy: -188.175 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: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2098.472352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.472352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.472352 (E_RNA) where: Base-Base interactions energy: -1469.694 where: short stacking energy: -598.767 Base-Backbone interact. energy: -1.894 local terms energy: -626.884519 where: bonds (distance) C4'-P energy: -110.007 bonds (distance) P-C4' energy: -125.818 flat angles C4'-P-C4' energy: -130.217 flat angles P-C4'-P energy: -84.297 tors. eta vs tors. theta energy: -176.546 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: 430 Temperature: 1.250000 Total energy: -1940.011667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.011667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.011667 (E_RNA) where: Base-Base interactions energy: -1346.021 where: short stacking energy: -576.825 Base-Backbone interact. energy: -3.436 local terms energy: -590.554165 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -115.497 flat angles C4'-P-C4' energy: -110.001 flat angles P-C4'-P energy: -93.064 tors. eta vs tors. theta energy: -165.325 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: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1794.724086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.724086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.724086 (E_RNA) where: Base-Base interactions energy: -1254.800 where: short stacking energy: -502.714 Base-Backbone interact. energy: 6.483 local terms energy: -546.407039 where: bonds (distance) C4'-P energy: -103.413 bonds (distance) P-C4' energy: -111.103 flat angles C4'-P-C4' energy: -121.891 flat angles P-C4'-P energy: -76.522 tors. eta vs tors. theta energy: -133.477 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: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1352.411798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.411798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.411798 (E_RNA) where: Base-Base interactions energy: -910.044 where: short stacking energy: -397.237 Base-Backbone interact. energy: 1.741 local terms energy: -444.108638 where: bonds (distance) C4'-P energy: -103.197 bonds (distance) P-C4' energy: -107.894 flat angles C4'-P-C4' energy: -99.416 flat angles P-C4'-P energy: -57.592 tors. eta vs tors. theta energy: -76.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2699.340022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.340022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.340022 (E_RNA) where: Base-Base interactions energy: -1927.120 where: short stacking energy: -785.925 Base-Backbone interact. energy: 3.188 local terms energy: -775.407291 where: bonds (distance) C4'-P energy: -135.388 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -166.310 flat angles P-C4'-P energy: -100.571 tors. eta vs tors. theta energy: -233.392 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: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2616.713739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.713739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.713739 (E_RNA) where: Base-Base interactions energy: -1883.923 where: short stacking energy: -759.022 Base-Backbone interact. energy: -0.265 local terms energy: -732.526312 where: bonds (distance) C4'-P energy: -109.215 bonds (distance) P-C4' energy: -127.116 flat angles C4'-P-C4' energy: -163.870 flat angles P-C4'-P energy: -102.978 tors. eta vs tors. theta energy: -229.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2530.983247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.983247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.983247 (E_RNA) where: Base-Base interactions energy: -1781.868 where: short stacking energy: -726.859 Base-Backbone interact. energy: -0.470 local terms energy: -748.645328 where: bonds (distance) C4'-P energy: -128.183 bonds (distance) P-C4' energy: -136.314 flat angles C4'-P-C4' energy: -146.232 flat angles P-C4'-P energy: -105.472 tors. eta vs tors. theta energy: -232.444 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: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2488.797268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.797268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.797268 (E_RNA) where: Base-Base interactions energy: -1782.208 where: short stacking energy: -711.184 Base-Backbone interact. energy: -1.757 local terms energy: -704.832653 where: bonds (distance) C4'-P energy: -119.836 bonds (distance) P-C4' energy: -106.498 flat angles C4'-P-C4' energy: -160.006 flat angles P-C4'-P energy: -106.112 tors. eta vs tors. theta energy: -212.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2358.169435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.169435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.169435 (E_RNA) where: Base-Base interactions energy: -1695.700 where: short stacking energy: -692.177 Base-Backbone interact. energy: -2.467 local terms energy: -660.002252 where: bonds (distance) C4'-P energy: -118.135 bonds (distance) P-C4' energy: -106.619 flat angles C4'-P-C4' energy: -144.302 flat angles P-C4'-P energy: -93.302 tors. eta vs tors. theta energy: -197.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2202.840384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.840384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.840384 (E_RNA) where: Base-Base interactions energy: -1581.363 where: short stacking energy: -651.433 Base-Backbone interact. energy: -1.592 local terms energy: -619.885648 where: bonds (distance) C4'-P energy: -107.591 bonds (distance) P-C4' energy: -112.033 flat angles C4'-P-C4' energy: -134.378 flat angles P-C4'-P energy: -88.564 tors. eta vs tors. theta energy: -177.320 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: 9 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2157.323106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.323106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.323106 (E_RNA) where: Base-Base interactions energy: -1546.289 where: short stacking energy: -622.309 Base-Backbone interact. energy: -2.842 local terms energy: -608.192519 where: bonds (distance) C4'-P energy: -98.710 bonds (distance) P-C4' energy: -116.602 flat angles C4'-P-C4' energy: -118.400 flat angles P-C4'-P energy: -88.963 tors. eta vs tors. theta energy: -185.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1934.791036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.791036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.791036 (E_RNA) where: Base-Base interactions energy: -1340.717 where: short stacking energy: -532.949 Base-Backbone interact. energy: -0.600 local terms energy: -593.474673 where: bonds (distance) C4'-P energy: -111.971 bonds (distance) P-C4' energy: -115.231 flat angles C4'-P-C4' energy: -123.705 flat angles P-C4'-P energy: -77.167 tors. eta vs tors. theta energy: -165.400 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: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1826.880736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.880736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.880736 (E_RNA) where: Base-Base interactions energy: -1263.654 where: short stacking energy: -517.641 Base-Backbone interact. energy: -0.922 local terms energy: -562.305668 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -105.658 flat angles C4'-P-C4' energy: -138.582 flat angles P-C4'-P energy: -87.561 tors. eta vs tors. theta energy: -135.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1330.172655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.172655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.172655 (E_RNA) where: Base-Base interactions energy: -873.340 where: short stacking energy: -370.655 Base-Backbone interact. energy: -0.149 local terms energy: -456.683666 where: bonds (distance) C4'-P energy: -102.966 bonds (distance) P-C4' energy: -102.760 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: -74.168 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: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2691.702758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.702758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.702758 (E_RNA) where: Base-Base interactions energy: -1943.827 where: short stacking energy: -793.517 Base-Backbone interact. energy: -2.469 local terms energy: -745.406931 where: bonds (distance) C4'-P energy: -119.110 bonds (distance) P-C4' energy: -125.011 flat angles C4'-P-C4' energy: -161.385 flat angles P-C4'-P energy: -112.300 tors. eta vs tors. theta energy: -227.601 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: 2, replica: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2624.511176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.511176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.511176 (E_RNA) where: Base-Base interactions energy: -1859.809 where: short stacking energy: -754.522 Base-Backbone interact. energy: -2.811 local terms energy: -761.891005 where: bonds (distance) C4'-P energy: -133.744 bonds (distance) P-C4' energy: -130.454 flat angles C4'-P-C4' energy: -158.420 flat angles P-C4'-P energy: -112.139 tors. eta vs tors. theta energy: -227.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2539.682990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.682990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.682990 (E_RNA) where: Base-Base interactions energy: -1798.206 where: short stacking energy: -743.744 Base-Backbone interact. energy: -2.940 local terms energy: -738.536405 where: bonds (distance) C4'-P energy: -127.852 bonds (distance) P-C4' energy: -121.967 flat angles C4'-P-C4' energy: -161.358 flat angles P-C4'-P energy: -104.196 tors. eta vs tors. theta energy: -223.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2476.633773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.633773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.633773 (E_RNA) where: Base-Base interactions energy: -1766.196 where: short stacking energy: -711.739 Base-Backbone interact. energy: 6.914 local terms energy: -717.352142 where: bonds (distance) C4'-P energy: -128.505 bonds (distance) P-C4' energy: -116.935 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -104.088 tors. eta vs tors. theta energy: -215.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2382.166019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.166019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.166019 (E_RNA) where: Base-Base interactions energy: -1683.261 where: short stacking energy: -690.186 Base-Backbone interact. energy: -0.519 local terms energy: -698.385752 where: bonds (distance) C4'-P energy: -112.587 bonds (distance) P-C4' energy: -131.105 flat angles C4'-P-C4' energy: -146.771 flat angles P-C4'-P energy: -98.876 tors. eta vs tors. theta energy: -209.048 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: 432 Temperature: 1.150000 Total energy: -2248.231317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.231317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.231317 (E_RNA) where: Base-Base interactions energy: -1602.078 where: short stacking energy: -637.538 Base-Backbone interact. energy: -0.467 local terms energy: -645.685374 where: bonds (distance) C4'-P energy: -107.978 bonds (distance) P-C4' energy: -116.151 flat angles C4'-P-C4' energy: -140.253 flat angles P-C4'-P energy: -96.081 tors. eta vs tors. theta energy: -185.222 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: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2092.070971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.070971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.070971 (E_RNA) where: Base-Base interactions energy: -1481.092 where: short stacking energy: -627.322 Base-Backbone interact. energy: -0.891 local terms energy: -610.087682 where: bonds (distance) C4'-P energy: -115.962 bonds (distance) P-C4' energy: -104.688 flat angles C4'-P-C4' energy: -132.292 flat angles P-C4'-P energy: -72.901 tors. eta vs tors. theta energy: -184.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2085.353966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.353966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.353966 (E_RNA) where: Base-Base interactions energy: -1477.169 where: short stacking energy: -604.097 Base-Backbone interact. energy: -1.782 local terms energy: -606.402655 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -123.827 flat angles C4'-P-C4' energy: -143.892 flat angles P-C4'-P energy: -101.230 tors. eta vs tors. theta energy: -177.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1914.005429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.005429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.005429 (E_RNA) where: Base-Base interactions energy: -1342.593 where: short stacking energy: -552.347 Base-Backbone interact. energy: -0.970 local terms energy: -570.442650 where: bonds (distance) C4'-P energy: -117.021 bonds (distance) P-C4' energy: -90.732 flat angles C4'-P-C4' energy: -132.713 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -166.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1323.063217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.063217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.063217 (E_RNA) where: Base-Base interactions energy: -875.662 where: short stacking energy: -364.340 Base-Backbone interact. energy: 2.816 local terms energy: -450.216744 where: bonds (distance) C4'-P energy: -98.542 bonds (distance) P-C4' energy: -120.869 flat angles C4'-P-C4' energy: -107.223 flat angles P-C4'-P energy: -65.387 tors. eta vs tors. theta energy: -58.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2683.655451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.655451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.655451 (E_RNA) where: Base-Base interactions energy: -1918.555 where: short stacking energy: -770.887 Base-Backbone interact. energy: -2.378 local terms energy: -762.722116 where: bonds (distance) C4'-P energy: -139.816 bonds (distance) P-C4' energy: -132.341 flat angles C4'-P-C4' energy: -162.325 flat angles P-C4'-P energy: -105.963 tors. eta vs tors. theta energy: -222.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2646.448331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.448331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.448331 (E_RNA) where: Base-Base interactions energy: -1887.968 where: short stacking energy: -745.513 Base-Backbone interact. energy: 0.108 local terms energy: -758.587849 where: bonds (distance) C4'-P energy: -123.327 bonds (distance) P-C4' energy: -144.002 flat angles C4'-P-C4' energy: -161.796 flat angles P-C4'-P energy: -102.219 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: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2557.154818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.154818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.154818 (E_RNA) where: Base-Base interactions energy: -1809.032 where: short stacking energy: -761.639 Base-Backbone interact. energy: -2.342 local terms energy: -745.781486 where: bonds (distance) C4'-P energy: -126.678 bonds (distance) P-C4' energy: -134.611 flat angles C4'-P-C4' energy: -151.013 flat angles P-C4'-P energy: -102.632 tors. eta vs tors. theta energy: -230.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2453.911359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.911359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.911359 (E_RNA) where: Base-Base interactions energy: -1739.681 where: short stacking energy: -694.189 Base-Backbone interact. energy: -1.596 local terms energy: -712.634828 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -115.797 flat angles C4'-P-C4' energy: -150.029 flat angles P-C4'-P energy: -109.827 tors. eta vs tors. theta energy: -206.778 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: 433 Temperature: 1.100000 Total energy: -2373.510506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.510506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.510506 (E_RNA) where: Base-Base interactions energy: -1700.292 where: short stacking energy: -684.228 Base-Backbone interact. energy: -3.664 local terms energy: -669.554313 where: bonds (distance) C4'-P energy: -120.500 bonds (distance) P-C4' energy: -109.133 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -98.457 tors. eta vs tors. theta energy: -204.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2263.480533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.480533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.480533 (E_RNA) where: Base-Base interactions energy: -1626.697 where: short stacking energy: -641.347 Base-Backbone interact. energy: -3.201 local terms energy: -633.582944 where: bonds (distance) C4'-P energy: -103.659 bonds (distance) P-C4' energy: -113.843 flat angles C4'-P-C4' energy: -143.998 flat angles P-C4'-P energy: -85.924 tors. eta vs tors. theta energy: -186.159 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: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2086.438032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.438032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.438032 (E_RNA) where: Base-Base interactions energy: -1467.986 where: short stacking energy: -586.505 Base-Backbone interact. energy: -1.859 local terms energy: -616.593107 where: bonds (distance) C4'-P energy: -107.872 bonds (distance) P-C4' energy: -90.283 flat angles C4'-P-C4' energy: -141.002 flat angles P-C4'-P energy: -87.507 tors. eta vs tors. theta energy: -189.930 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: 8, replica: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2052.068887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.068887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.068887 (E_RNA) where: Base-Base interactions energy: -1480.538 where: short stacking energy: -580.323 Base-Backbone interact. energy: -1.657 local terms energy: -569.873309 where: bonds (distance) C4'-P energy: -102.785 bonds (distance) P-C4' energy: -111.407 flat angles C4'-P-C4' energy: -116.024 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -160.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1847.859090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.859090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.859090 (E_RNA) where: Base-Base interactions energy: -1285.115 where: short stacking energy: -509.414 Base-Backbone interact. energy: -1.622 local terms energy: -561.122020 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -99.848 flat angles C4'-P-C4' energy: -130.474 flat angles P-C4'-P energy: -84.767 tors. eta vs tors. theta energy: -150.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1344.332974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.332974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.332974 (E_RNA) where: Base-Base interactions energy: -904.579 where: short stacking energy: -399.158 Base-Backbone interact. energy: 0.761 local terms energy: -440.515867 where: bonds (distance) C4'-P energy: -108.817 bonds (distance) P-C4' energy: -85.391 flat angles C4'-P-C4' energy: -101.578 flat angles P-C4'-P energy: -78.480 tors. eta vs tors. theta energy: -66.250 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: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2680.448918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.448918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.448918 (E_RNA) where: Base-Base interactions energy: -1920.640 where: short stacking energy: -786.172 Base-Backbone interact. energy: -3.411 local terms energy: -756.398445 where: bonds (distance) C4'-P energy: -132.802 bonds (distance) P-C4' energy: -130.701 flat angles C4'-P-C4' energy: -156.821 flat angles P-C4'-P energy: -109.896 tors. eta vs tors. theta energy: -226.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2620.807045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.807045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.807045 (E_RNA) where: Base-Base interactions energy: -1887.377 where: short stacking energy: -760.874 Base-Backbone interact. energy: -2.384 local terms energy: -731.045520 where: bonds (distance) C4'-P energy: -126.798 bonds (distance) P-C4' energy: -135.127 flat angles C4'-P-C4' energy: -149.874 flat angles P-C4'-P energy: -97.256 tors. eta vs tors. theta energy: -221.990 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: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2562.984211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.984211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.984211 (E_RNA) where: Base-Base interactions energy: -1815.752 where: short stacking energy: -760.318 Base-Backbone interact. energy: 1.837 local terms energy: -749.069954 where: bonds (distance) C4'-P energy: -119.421 bonds (distance) P-C4' energy: -129.628 flat angles C4'-P-C4' energy: -157.782 flat angles P-C4'-P energy: -106.094 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: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2440.849112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.849112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.849112 (E_RNA) where: Base-Base interactions energy: -1737.075 where: short stacking energy: -715.665 Base-Backbone interact. energy: 5.166 local terms energy: -708.939796 where: bonds (distance) C4'-P energy: -114.615 bonds (distance) P-C4' energy: -129.613 flat angles C4'-P-C4' energy: -157.205 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -210.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2391.728250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.728250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.728250 (E_RNA) where: Base-Base interactions energy: -1709.839 where: short stacking energy: -687.602 Base-Backbone interact. energy: -2.044 local terms energy: -679.845213 where: bonds (distance) C4'-P energy: -118.200 bonds (distance) P-C4' energy: -117.878 flat angles C4'-P-C4' energy: -151.922 flat angles P-C4'-P energy: -98.354 tors. eta vs tors. theta energy: -193.491 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: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2249.996699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.996699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.996699 (E_RNA) where: Base-Base interactions energy: -1578.146 where: short stacking energy: -640.372 Base-Backbone interact. energy: -2.658 local terms energy: -669.193115 where: bonds (distance) C4'-P energy: -114.206 bonds (distance) P-C4' energy: -128.870 flat angles C4'-P-C4' energy: -131.721 flat angles P-C4'-P energy: -110.096 tors. eta vs tors. theta energy: -184.301 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: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2047.072389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.072389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.072389 (E_RNA) where: Base-Base interactions energy: -1421.125 where: short stacking energy: -588.025 Base-Backbone interact. energy: -3.036 local terms energy: -622.911635 where: bonds (distance) C4'-P energy: -105.364 bonds (distance) P-C4' energy: -128.872 flat angles C4'-P-C4' energy: -135.905 flat angles P-C4'-P energy: -89.599 tors. eta vs tors. theta energy: -163.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2019.201502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.201502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.201502 (E_RNA) where: Base-Base interactions energy: -1450.651 where: short stacking energy: -577.833 Base-Backbone interact. energy: -2.601 local terms energy: -565.949260 where: bonds (distance) C4'-P energy: -91.089 bonds (distance) P-C4' energy: -88.906 flat angles C4'-P-C4' energy: -132.333 flat angles P-C4'-P energy: -80.271 tors. eta vs tors. theta energy: -173.349 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: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1789.186457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.186457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.186457 (E_RNA) where: Base-Base interactions energy: -1238.191 where: short stacking energy: -503.950 Base-Backbone interact. energy: -3.384 local terms energy: -547.611876 where: bonds (distance) C4'-P energy: -109.500 bonds (distance) P-C4' energy: -106.087 flat angles C4'-P-C4' energy: -116.458 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -146.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1337.379873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.379873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.379873 (E_RNA) where: Base-Base interactions energy: -895.997 where: short stacking energy: -382.538 Base-Backbone interact. energy: 4.156 local terms energy: -445.538012 where: bonds (distance) C4'-P energy: -98.091 bonds (distance) P-C4' energy: -101.929 flat angles C4'-P-C4' energy: -111.894 flat angles P-C4'-P energy: -53.278 tors. eta vs tors. theta energy: -80.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2709.098401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.098401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.098401 (E_RNA) where: Base-Base interactions energy: -1929.559 where: short stacking energy: -794.184 Base-Backbone interact. energy: -0.651 local terms energy: -778.887819 where: bonds (distance) C4'-P energy: -140.758 bonds (distance) P-C4' energy: -132.802 flat angles C4'-P-C4' energy: -159.250 flat angles P-C4'-P energy: -113.042 tors. eta vs tors. theta energy: -233.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2607.464577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.464577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.464577 (E_RNA) where: Base-Base interactions energy: -1864.735 where: short stacking energy: -768.024 Base-Backbone interact. energy: 0.244 local terms energy: -742.973111 where: bonds (distance) C4'-P energy: -125.557 bonds (distance) P-C4' energy: -127.099 flat angles C4'-P-C4' energy: -159.745 flat angles P-C4'-P energy: -108.434 tors. eta vs tors. theta energy: -222.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2562.024746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.024746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.024746 (E_RNA) where: Base-Base interactions energy: -1810.384 where: short stacking energy: -759.075 Base-Backbone interact. energy: -1.294 local terms energy: -750.345971 where: bonds (distance) C4'-P energy: -125.303 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -151.878 flat angles P-C4'-P energy: -107.025 tors. eta vs tors. theta energy: -235.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2471.869258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.869258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.869258 (E_RNA) where: Base-Base interactions energy: -1762.190 where: short stacking energy: -729.412 Base-Backbone interact. energy: 0.598 local terms energy: -710.276922 where: bonds (distance) C4'-P energy: -114.281 bonds (distance) P-C4' energy: -137.967 flat angles C4'-P-C4' energy: -136.522 flat angles P-C4'-P energy: -103.722 tors. eta vs tors. theta energy: -217.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2373.818325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.818325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.818325 (E_RNA) where: Base-Base interactions energy: -1689.627 where: short stacking energy: -700.874 Base-Backbone interact. energy: -1.765 local terms energy: -682.425667 where: bonds (distance) C4'-P energy: -115.932 bonds (distance) P-C4' energy: -117.346 flat angles C4'-P-C4' energy: -148.061 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -207.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2266.571135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.571135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.571135 (E_RNA) where: Base-Base interactions energy: -1615.603 where: short stacking energy: -644.458 Base-Backbone interact. energy: -2.030 local terms energy: -648.938451 where: bonds (distance) C4'-P energy: -116.275 bonds (distance) P-C4' energy: -118.695 flat angles C4'-P-C4' energy: -142.566 flat angles P-C4'-P energy: -86.872 tors. eta vs tors. theta energy: -184.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2068.702276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.702276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.702276 (E_RNA) where: Base-Base interactions energy: -1429.313 where: short stacking energy: -598.158 Base-Backbone interact. energy: -1.980 local terms energy: -637.408454 where: bonds (distance) C4'-P energy: -106.799 bonds (distance) P-C4' energy: -129.295 flat angles C4'-P-C4' energy: -125.054 flat angles P-C4'-P energy: -104.774 tors. eta vs tors. theta energy: -171.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1989.989541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.989541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.989541 (E_RNA) where: Base-Base interactions energy: -1420.551 where: short stacking energy: -562.241 Base-Backbone interact. energy: 0.608 local terms energy: -570.046920 where: bonds (distance) C4'-P energy: -89.097 bonds (distance) P-C4' energy: -110.552 flat angles C4'-P-C4' energy: -134.419 flat angles P-C4'-P energy: -73.259 tors. eta vs tors. theta energy: -162.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1799.173344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.173344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.173344 (E_RNA) where: Base-Base interactions energy: -1259.840 where: short stacking energy: -519.081 Base-Backbone interact. energy: -1.399 local terms energy: -537.933954 where: bonds (distance) C4'-P energy: -119.445 bonds (distance) P-C4' energy: -103.210 flat angles C4'-P-C4' energy: -115.614 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -135.302 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: 435 Temperature: 1.350000 Total energy: -1332.265982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.265982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.265982 (E_RNA) where: Base-Base interactions energy: -870.943 where: short stacking energy: -367.948 Base-Backbone interact. energy: 5.136 local terms energy: -466.458252 where: bonds (distance) C4'-P energy: -111.277 bonds (distance) P-C4' energy: -112.347 flat angles C4'-P-C4' energy: -107.442 flat angles P-C4'-P energy: -64.768 tors. eta vs tors. theta energy: -70.624 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: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2697.818702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.818702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.818702 (E_RNA) where: Base-Base interactions energy: -1905.433 where: short stacking energy: -761.946 Base-Backbone interact. energy: -0.957 local terms energy: -791.428337 where: bonds (distance) C4'-P energy: -142.925 bonds (distance) P-C4' energy: -142.690 flat angles C4'-P-C4' energy: -161.701 flat angles P-C4'-P energy: -110.981 tors. eta vs tors. theta energy: -233.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2619.983644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.983644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.983644 (E_RNA) where: Base-Base interactions energy: -1862.595 where: short stacking energy: -751.279 Base-Backbone interact. energy: -2.953 local terms energy: -754.435497 where: bonds (distance) C4'-P energy: -133.959 bonds (distance) P-C4' energy: -132.235 flat angles C4'-P-C4' energy: -152.996 flat angles P-C4'-P energy: -104.967 tors. eta vs tors. theta energy: -230.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2556.350949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.350949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.350949 (E_RNA) where: Base-Base interactions energy: -1805.890 where: short stacking energy: -743.239 Base-Backbone interact. energy: -0.746 local terms energy: -749.714199 where: bonds (distance) C4'-P energy: -127.034 bonds (distance) P-C4' energy: -130.402 flat angles C4'-P-C4' energy: -156.294 flat angles P-C4'-P energy: -104.886 tors. eta vs tors. theta energy: -231.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2447.996412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.996412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.996412 (E_RNA) where: Base-Base interactions energy: -1745.225 where: short stacking energy: -713.026 Base-Backbone interact. energy: 0.103 local terms energy: -702.874178 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -120.110 flat angles C4'-P-C4' energy: -150.159 flat angles P-C4'-P energy: -101.764 tors. eta vs tors. theta energy: -215.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2364.727964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.727964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.727964 (E_RNA) where: Base-Base interactions energy: -1709.749 where: short stacking energy: -659.273 Base-Backbone interact. energy: 4.509 local terms energy: -659.487472 where: bonds (distance) C4'-P energy: -102.659 bonds (distance) P-C4' energy: -114.603 flat angles C4'-P-C4' energy: -139.552 flat angles P-C4'-P energy: -97.516 tors. eta vs tors. theta energy: -205.157 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: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2270.284433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.284433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.284433 (E_RNA) where: Base-Base interactions energy: -1615.327 where: short stacking energy: -662.836 Base-Backbone interact. energy: 2.992 local terms energy: -657.949148 where: bonds (distance) C4'-P energy: -115.704 bonds (distance) P-C4' energy: -116.201 flat angles C4'-P-C4' energy: -147.548 flat angles P-C4'-P energy: -83.801 tors. eta vs tors. theta energy: -194.694 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: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2079.184699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.184699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.184699 (E_RNA) where: Base-Base interactions energy: -1452.699 where: short stacking energy: -592.710 Base-Backbone interact. energy: -1.532 local terms energy: -624.953407 where: bonds (distance) C4'-P energy: -101.756 bonds (distance) P-C4' energy: -123.996 flat angles C4'-P-C4' energy: -131.056 flat angles P-C4'-P energy: -106.908 tors. eta vs tors. theta energy: -161.237 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: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1991.572003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.572003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.572003 (E_RNA) where: Base-Base interactions energy: -1400.212 where: short stacking energy: -586.755 Base-Backbone interact. energy: -0.368 local terms energy: -590.992137 where: bonds (distance) C4'-P energy: -99.638 bonds (distance) P-C4' energy: -110.473 flat angles C4'-P-C4' energy: -134.854 flat angles P-C4'-P energy: -84.264 tors. eta vs tors. theta energy: -161.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1808.945003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.945003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.945003 (E_RNA) where: Base-Base interactions energy: -1285.973 where: short stacking energy: -534.622 Base-Backbone interact. energy: -0.242 local terms energy: -522.730303 where: bonds (distance) C4'-P energy: -100.628 bonds (distance) P-C4' energy: -93.280 flat angles C4'-P-C4' energy: -114.234 flat angles P-C4'-P energy: -68.895 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: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1340.071984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.071984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.071984 (E_RNA) where: Base-Base interactions energy: -868.502 where: short stacking energy: -382.973 Base-Backbone interact. energy: -0.496 local terms energy: -471.074607 where: bonds (distance) C4'-P energy: -110.488 bonds (distance) P-C4' energy: -102.328 flat angles C4'-P-C4' energy: -107.865 flat angles P-C4'-P energy: -68.414 tors. eta vs tors. theta energy: -81.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2720.164217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.164217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.164217 (E_RNA) where: Base-Base interactions energy: -1928.735 where: short stacking energy: -796.902 Base-Backbone interact. energy: -0.657 local terms energy: -790.772845 where: bonds (distance) C4'-P energy: -135.749 bonds (distance) P-C4' energy: -138.983 flat angles C4'-P-C4' energy: -166.815 flat angles P-C4'-P energy: -109.681 tors. eta vs tors. theta energy: -239.545 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: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2629.623051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.623051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.623051 (E_RNA) where: Base-Base interactions energy: -1890.379 where: short stacking energy: -761.188 Base-Backbone interact. energy: -1.241 local terms energy: -738.003228 where: bonds (distance) C4'-P energy: -136.587 bonds (distance) P-C4' energy: -120.045 flat angles C4'-P-C4' energy: -150.755 flat angles P-C4'-P energy: -107.802 tors. eta vs tors. theta energy: -222.813 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: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2538.068688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.068688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.068688 (E_RNA) where: Base-Base interactions energy: -1779.035 where: short stacking energy: -742.411 Base-Backbone interact. energy: -1.102 local terms energy: -757.931805 where: bonds (distance) C4'-P energy: -129.812 bonds (distance) P-C4' energy: -128.122 flat angles C4'-P-C4' energy: -152.314 flat angles P-C4'-P energy: -110.824 tors. eta vs tors. theta energy: -236.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2463.094304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.094304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.094304 (E_RNA) where: Base-Base interactions energy: -1782.143 where: short stacking energy: -717.631 Base-Backbone interact. energy: 0.012 local terms energy: -680.963543 where: bonds (distance) C4'-P energy: -112.678 bonds (distance) P-C4' energy: -111.460 flat angles C4'-P-C4' energy: -147.571 flat angles P-C4'-P energy: -93.874 tors. eta vs tors. theta energy: -215.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2380.469084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.469084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.469084 (E_RNA) where: Base-Base interactions energy: -1736.989 where: short stacking energy: -697.525 Base-Backbone interact. energy: 0.419 local terms energy: -643.899569 where: bonds (distance) C4'-P energy: -97.751 bonds (distance) P-C4' energy: -111.374 flat angles C4'-P-C4' energy: -147.561 flat angles P-C4'-P energy: -95.928 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: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2278.009028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.009028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.009028 (E_RNA) where: Base-Base interactions energy: -1640.807 where: short stacking energy: -655.832 Base-Backbone interact. energy: -0.252 local terms energy: -636.949954 where: bonds (distance) C4'-P energy: -108.867 bonds (distance) P-C4' energy: -115.795 flat angles C4'-P-C4' energy: -133.458 flat angles P-C4'-P energy: -83.791 tors. eta vs tors. theta energy: -195.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2123.484735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.484735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.484735 (E_RNA) where: Base-Base interactions energy: -1483.969 where: short stacking energy: -605.989 Base-Backbone interact. energy: 1.754 local terms energy: -641.269298 where: bonds (distance) C4'-P energy: -121.252 bonds (distance) P-C4' energy: -120.264 flat angles C4'-P-C4' energy: -127.253 flat angles P-C4'-P energy: -83.947 tors. eta vs tors. theta energy: -188.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1990.919469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.919469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.919469 (E_RNA) where: Base-Base interactions energy: -1393.859 where: short stacking energy: -569.960 Base-Backbone interact. energy: -1.460 local terms energy: -595.601380 where: bonds (distance) C4'-P energy: -107.015 bonds (distance) P-C4' energy: -122.846 flat angles C4'-P-C4' energy: -111.739 flat angles P-C4'-P energy: -97.394 tors. eta vs tors. theta energy: -156.607 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: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1786.770599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.770599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.770599 (E_RNA) where: Base-Base interactions energy: -1231.162 where: short stacking energy: -502.115 Base-Backbone interact. energy: -1.005 local terms energy: -554.603499 where: bonds (distance) C4'-P energy: -103.345 bonds (distance) P-C4' energy: -100.008 flat angles C4'-P-C4' energy: -127.643 flat angles P-C4'-P energy: -79.595 tors. eta vs tors. theta energy: -144.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1320.420943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.420943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.420943 (E_RNA) where: Base-Base interactions energy: -871.598 where: short stacking energy: -389.981 Base-Backbone interact. energy: -0.223 local terms energy: -448.600071 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -114.380 flat angles C4'-P-C4' energy: -119.339 flat angles P-C4'-P energy: -58.984 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: 1, replica: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2701.920846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.920846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.920846 (E_RNA) where: Base-Base interactions energy: -1920.500 where: short stacking energy: -771.162 Base-Backbone interact. energy: -2.365 local terms energy: -779.055127 where: bonds (distance) C4'-P energy: -141.468 bonds (distance) P-C4' energy: -134.278 flat angles C4'-P-C4' energy: -154.763 flat angles P-C4'-P energy: -123.656 tors. eta vs tors. theta energy: -224.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2632.730821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.730821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.730821 (E_RNA) where: Base-Base interactions energy: -1872.560 where: short stacking energy: -770.817 Base-Backbone interact. energy: -2.619 local terms energy: -757.551767 where: bonds (distance) C4'-P energy: -127.743 bonds (distance) P-C4' energy: -140.966 flat angles C4'-P-C4' energy: -158.314 flat angles P-C4'-P energy: -105.819 tors. eta vs tors. theta energy: -224.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2543.763772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.763772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.763772 (E_RNA) where: Base-Base interactions energy: -1787.527 where: short stacking energy: -746.246 Base-Backbone interact. energy: -1.358 local terms energy: -754.878148 where: bonds (distance) C4'-P energy: -133.407 bonds (distance) P-C4' energy: -129.028 flat angles C4'-P-C4' energy: -155.898 flat angles P-C4'-P energy: -98.521 tors. eta vs tors. theta energy: -238.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2491.536998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.536998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.536998 (E_RNA) where: Base-Base interactions energy: -1801.350 where: short stacking energy: -753.620 Base-Backbone interact. energy: -0.178 local terms energy: -690.009264 where: bonds (distance) C4'-P energy: -113.186 bonds (distance) P-C4' energy: -100.024 flat angles C4'-P-C4' energy: -147.561 flat angles P-C4'-P energy: -103.196 tors. eta vs tors. theta energy: -226.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2398.653906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.653906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.653906 (E_RNA) where: Base-Base interactions energy: -1720.883 where: short stacking energy: -711.184 Base-Backbone interact. energy: -4.911 local terms energy: -672.860190 where: bonds (distance) C4'-P energy: -107.818 bonds (distance) P-C4' energy: -110.280 flat angles C4'-P-C4' energy: -151.389 flat angles P-C4'-P energy: -91.566 tors. eta vs tors. theta energy: -211.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2264.849812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.849812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.849812 (E_RNA) where: Base-Base interactions energy: -1579.577 where: short stacking energy: -638.319 Base-Backbone interact. energy: 1.513 local terms energy: -686.785047 where: bonds (distance) C4'-P energy: -124.447 bonds (distance) P-C4' energy: -129.839 flat angles C4'-P-C4' energy: -140.861 flat angles P-C4'-P energy: -91.355 tors. eta vs tors. theta energy: -200.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2013.191406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.191406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.191406 (E_RNA) where: Base-Base interactions energy: -1386.775 where: short stacking energy: -589.290 Base-Backbone interact. energy: 8.150 local terms energy: -634.566855 where: bonds (distance) C4'-P energy: -130.395 bonds (distance) P-C4' energy: -114.927 flat angles C4'-P-C4' energy: -123.438 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -163.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1965.290942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.290942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.290942 (E_RNA) where: Base-Base interactions energy: -1342.840 where: short stacking energy: -553.400 Base-Backbone interact. energy: -1.097 local terms energy: -621.354027 where: bonds (distance) C4'-P energy: -115.107 bonds (distance) P-C4' energy: -116.942 flat angles C4'-P-C4' energy: -121.280 flat angles P-C4'-P energy: -98.056 tors. eta vs tors. theta energy: -169.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1758.643259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.643259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.643259 (E_RNA) where: Base-Base interactions energy: -1205.672 where: short stacking energy: -496.841 Base-Backbone interact. energy: -2.549 local terms energy: -550.422713 where: bonds (distance) C4'-P energy: -112.233 bonds (distance) P-C4' energy: -99.498 flat angles C4'-P-C4' energy: -124.207 flat angles P-C4'-P energy: -78.001 tors. eta vs tors. theta energy: -136.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1314.120292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.120292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.120292 (E_RNA) where: Base-Base interactions energy: -859.501 where: short stacking energy: -386.765 Base-Backbone interact. energy: 4.438 local terms energy: -459.058092 where: bonds (distance) C4'-P energy: -97.210 bonds (distance) P-C4' energy: -103.339 flat angles C4'-P-C4' energy: -111.981 flat angles P-C4'-P energy: -55.486 tors. eta vs tors. theta energy: -91.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2707.490383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.490383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.490383 (E_RNA) where: Base-Base interactions energy: -1933.359 where: short stacking energy: -786.098 Base-Backbone interact. energy: -4.896 local terms energy: -769.235167 where: bonds (distance) C4'-P energy: -139.104 bonds (distance) P-C4' energy: -124.089 flat angles C4'-P-C4' energy: -156.717 flat angles P-C4'-P energy: -109.620 tors. eta vs tors. theta energy: -239.706 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: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2613.817358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.817358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.817358 (E_RNA) where: Base-Base interactions energy: -1863.436 where: short stacking energy: -744.807 Base-Backbone interact. energy: -2.507 local terms energy: -747.874738 where: bonds (distance) C4'-P energy: -120.127 bonds (distance) P-C4' energy: -144.989 flat angles C4'-P-C4' energy: -154.007 flat angles P-C4'-P energy: -102.648 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: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2550.277703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.277703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.277703 (E_RNA) where: Base-Base interactions energy: -1790.254 where: short stacking energy: -750.755 Base-Backbone interact. energy: -0.630 local terms energy: -759.394010 where: bonds (distance) C4'-P energy: -122.745 bonds (distance) P-C4' energy: -135.647 flat angles C4'-P-C4' energy: -150.409 flat angles P-C4'-P energy: -112.033 tors. eta vs tors. theta energy: -238.559 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: 439 Temperature: 1.050000 Total energy: -2495.493496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.493496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.493496 (E_RNA) where: Base-Base interactions energy: -1784.629 where: short stacking energy: -743.454 Base-Backbone interact. energy: -2.412 local terms energy: -708.452179 where: bonds (distance) C4'-P energy: -129.326 bonds (distance) P-C4' energy: -107.546 flat angles C4'-P-C4' energy: -144.849 flat angles P-C4'-P energy: -106.681 tors. eta vs tors. theta energy: -220.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2379.831462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.831462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.831462 (E_RNA) where: Base-Base interactions energy: -1698.703 where: short stacking energy: -679.877 Base-Backbone interact. energy: 3.967 local terms energy: -685.095230 where: bonds (distance) C4'-P energy: -130.603 bonds (distance) P-C4' energy: -123.001 flat angles C4'-P-C4' energy: -149.531 flat angles P-C4'-P energy: -82.966 tors. eta vs tors. theta energy: -198.994 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: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2274.420627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.420627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.420627 (E_RNA) where: Base-Base interactions energy: -1602.724 where: short stacking energy: -649.500 Base-Backbone interact. energy: -1.501 local terms energy: -670.195939 where: bonds (distance) C4'-P energy: -118.712 bonds (distance) P-C4' energy: -128.485 flat angles C4'-P-C4' energy: -144.429 flat angles P-C4'-P energy: -80.097 tors. eta vs tors. theta energy: -198.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2052.238682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.238682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.238682 (E_RNA) where: Base-Base interactions energy: -1434.865 where: short stacking energy: -581.103 Base-Backbone interact. energy: -2.475 local terms energy: -614.899143 where: bonds (distance) C4'-P energy: -127.011 bonds (distance) P-C4' energy: -104.985 flat angles C4'-P-C4' energy: -132.991 flat angles P-C4'-P energy: -77.784 tors. eta vs tors. theta energy: -172.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1998.267207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.267207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.267207 (E_RNA) where: Base-Base interactions energy: -1392.713 where: short stacking energy: -590.031 Base-Backbone interact. energy: 3.906 local terms energy: -609.460530 where: bonds (distance) C4'-P energy: -108.535 bonds (distance) P-C4' energy: -105.990 flat angles C4'-P-C4' energy: -133.063 flat angles P-C4'-P energy: -87.450 tors. eta vs tors. theta energy: -174.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1998.796950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.796950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.796950 (E_RNA) where: Base-Base interactions energy: -1413.707 where: short stacking energy: -593.226 Base-Backbone interact. energy: 1.119 local terms energy: -586.209645 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -122.913 flat angles C4'-P-C4' energy: -113.399 flat angles P-C4'-P energy: -87.251 tors. eta vs tors. theta energy: -176.809 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: 439 Temperature: 1.350000 Total energy: -1293.218024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.218024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.218024 (E_RNA) where: Base-Base interactions energy: -857.551 where: short stacking energy: -363.124 Base-Backbone interact. energy: -0.617 local terms energy: -435.049281 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -125.541 flat angles C4'-P-C4' energy: -95.731 flat angles P-C4'-P energy: -66.314 tors. eta vs tors. theta energy: -48.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2694.443210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.443210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.443210 (E_RNA) where: Base-Base interactions energy: -1911.624 where: short stacking energy: -755.585 Base-Backbone interact. energy: -2.459 local terms energy: -780.360293 where: bonds (distance) C4'-P energy: -134.767 bonds (distance) P-C4' energy: -134.687 flat angles C4'-P-C4' energy: -167.207 flat angles P-C4'-P energy: -111.629 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: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2616.368223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.368223 (E_RNA) where: Base-Base interactions energy: -1870.867 where: short stacking energy: -754.531 Base-Backbone interact. energy: -0.635 local terms energy: -744.866348 where: bonds (distance) C4'-P energy: -127.579 bonds (distance) P-C4' energy: -121.264 flat angles C4'-P-C4' energy: -154.731 flat angles P-C4'-P energy: -109.992 tors. eta vs tors. theta energy: -231.299 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: 440 Temperature: 1.000000 Total energy: -2572.285077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.285077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.285077 (E_RNA) where: Base-Base interactions energy: -1801.103 where: short stacking energy: -766.415 Base-Backbone interact. energy: -0.513 local terms energy: -770.668386 where: bonds (distance) C4'-P energy: -137.762 bonds (distance) P-C4' energy: -118.919 flat angles C4'-P-C4' energy: -154.348 flat angles P-C4'-P energy: -118.796 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: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2484.118082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.118082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.118082 (E_RNA) where: Base-Base interactions energy: -1766.420 where: short stacking energy: -708.432 Base-Backbone interact. energy: 1.419 local terms energy: -719.117636 where: bonds (distance) C4'-P energy: -113.600 bonds (distance) P-C4' energy: -132.386 flat angles C4'-P-C4' energy: -149.775 flat angles P-C4'-P energy: -112.256 tors. eta vs tors. theta energy: -211.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2429.329131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.329131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.329131 (E_RNA) where: Base-Base interactions energy: -1748.478 where: short stacking energy: -701.658 Base-Backbone interact. energy: 1.852 local terms energy: -682.702874 where: bonds (distance) C4'-P energy: -124.664 bonds (distance) P-C4' energy: -119.055 flat angles C4'-P-C4' energy: -142.302 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -210.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2267.930926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.930926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.930926 (E_RNA) where: Base-Base interactions energy: -1611.597 where: short stacking energy: -650.231 Base-Backbone interact. energy: -2.966 local terms energy: -653.368427 where: bonds (distance) C4'-P energy: -97.859 bonds (distance) P-C4' energy: -105.520 flat angles C4'-P-C4' energy: -147.804 flat angles P-C4'-P energy: -95.277 tors. eta vs tors. theta energy: -206.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2125.901419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.901419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.901419 (E_RNA) where: Base-Base interactions energy: -1515.010 where: short stacking energy: -618.149 Base-Backbone interact. energy: 0.328 local terms energy: -611.218863 where: bonds (distance) C4'-P energy: -87.388 bonds (distance) P-C4' energy: -129.085 flat angles C4'-P-C4' energy: -132.164 flat angles P-C4'-P energy: -82.450 tors. eta vs tors. theta energy: -180.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2017.279664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.279664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.279664 (E_RNA) where: Base-Base interactions energy: -1386.923 where: short stacking energy: -605.092 Base-Backbone interact. energy: -1.388 local terms energy: -628.969381 where: bonds (distance) C4'-P energy: -100.999 bonds (distance) P-C4' energy: -119.499 flat angles C4'-P-C4' energy: -138.260 flat angles P-C4'-P energy: -82.035 tors. eta vs tors. theta energy: -188.176 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: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1829.873041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.873041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.873041 (E_RNA) where: Base-Base interactions energy: -1273.531 where: short stacking energy: -514.203 Base-Backbone interact. energy: -2.606 local terms energy: -553.735709 where: bonds (distance) C4'-P energy: -96.871 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -138.559 flat angles P-C4'-P energy: -75.176 tors. eta vs tors. theta energy: -139.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1251.310236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.310236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.310236 (E_RNA) where: Base-Base interactions energy: -839.362 where: short stacking energy: -360.025 Base-Backbone interact. energy: -0.991 local terms energy: -410.957222 where: bonds (distance) C4'-P energy: -78.212 bonds (distance) P-C4' energy: -100.322 flat angles C4'-P-C4' energy: -104.821 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -72.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2715.575880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.575880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.575880 (E_RNA) where: Base-Base interactions energy: -1943.859 where: short stacking energy: -780.745 Base-Backbone interact. energy: 1.941 local terms energy: -773.658349 where: bonds (distance) C4'-P energy: -123.556 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -166.823 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -236.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2635.039993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.039993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.039993 (E_RNA) where: Base-Base interactions energy: -1868.304 where: short stacking energy: -757.793 Base-Backbone interact. energy: -0.143 local terms energy: -766.592812 where: bonds (distance) C4'-P energy: -140.938 bonds (distance) P-C4' energy: -125.118 flat angles C4'-P-C4' energy: -164.861 flat angles P-C4'-P energy: -106.243 tors. eta vs tors. theta energy: -229.433 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: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2552.462503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.462503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.462503 (E_RNA) where: Base-Base interactions energy: -1800.424 where: short stacking energy: -752.345 Base-Backbone interact. energy: -2.289 local terms energy: -749.750191 where: bonds (distance) C4'-P energy: -131.377 bonds (distance) P-C4' energy: -127.488 flat angles C4'-P-C4' energy: -153.676 flat angles P-C4'-P energy: -104.567 tors. eta vs tors. theta energy: -232.642 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: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2476.558558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.558558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.558558 (E_RNA) where: Base-Base interactions energy: -1759.329 where: short stacking energy: -717.315 Base-Backbone interact. energy: 1.378 local terms energy: -718.606938 where: bonds (distance) C4'-P energy: -122.143 bonds (distance) P-C4' energy: -126.956 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -98.617 tors. eta vs tors. theta energy: -217.485 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: 5, replica: 5 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2403.169741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.169741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.169741 (E_RNA) where: Base-Base interactions energy: -1734.538 where: short stacking energy: -694.774 Base-Backbone interact. energy: 1.997 local terms energy: -670.628433 where: bonds (distance) C4'-P energy: -100.134 bonds (distance) P-C4' energy: -115.253 flat angles C4'-P-C4' energy: -152.282 flat angles P-C4'-P energy: -93.010 tors. eta vs tors. theta energy: -209.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2275.331908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.331908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.331908 (E_RNA) where: Base-Base interactions energy: -1672.900 where: short stacking energy: -657.004 Base-Backbone interact. energy: -1.148 local terms energy: -601.284399 where: bonds (distance) C4'-P energy: -105.950 bonds (distance) P-C4' energy: -108.634 flat angles C4'-P-C4' energy: -133.806 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -194.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2160.859775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.859775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.859775 (E_RNA) where: Base-Base interactions energy: -1535.031 where: short stacking energy: -617.890 Base-Backbone interact. energy: 0.819 local terms energy: -626.647357 where: bonds (distance) C4'-P energy: -116.120 bonds (distance) P-C4' energy: -109.858 flat angles C4'-P-C4' energy: -121.586 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -185.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1968.521624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.521624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.521624 (E_RNA) where: Base-Base interactions energy: -1366.656 where: short stacking energy: -582.488 Base-Backbone interact. energy: -0.448 local terms energy: -601.417926 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -107.287 flat angles C4'-P-C4' energy: -134.687 flat angles P-C4'-P energy: -90.279 tors. eta vs tors. theta energy: -163.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1844.005840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.005840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.005840 (E_RNA) where: Base-Base interactions energy: -1302.068 where: short stacking energy: -526.401 Base-Backbone interact. energy: -2.641 local terms energy: -539.296956 where: bonds (distance) C4'-P energy: -105.607 bonds (distance) P-C4' energy: -111.418 flat angles C4'-P-C4' energy: -108.047 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -145.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1325.478474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.478474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.478474 (E_RNA) where: Base-Base interactions energy: -859.452 where: short stacking energy: -363.308 Base-Backbone interact. energy: 0.653 local terms energy: -466.679136 where: bonds (distance) C4'-P energy: -91.628 bonds (distance) P-C4' energy: -122.741 flat angles C4'-P-C4' energy: -101.606 flat angles P-C4'-P energy: -70.851 tors. eta vs tors. theta energy: -79.853 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: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2654.466023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.466023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.466023 (E_RNA) where: Base-Base interactions energy: -1879.568 where: short stacking energy: -743.945 Base-Backbone interact. energy: -2.078 local terms energy: -772.820615 where: bonds (distance) C4'-P energy: -127.369 bonds (distance) P-C4' energy: -148.332 flat angles C4'-P-C4' energy: -153.843 flat angles P-C4'-P energy: -108.844 tors. eta vs tors. theta energy: -234.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2668.492003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.492003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.492003 (E_RNA) where: Base-Base interactions energy: -1928.464 where: short stacking energy: -780.902 Base-Backbone interact. energy: -1.912 local terms energy: -738.116747 where: bonds (distance) C4'-P energy: -119.342 bonds (distance) P-C4' energy: -119.118 flat angles C4'-P-C4' energy: -148.837 flat angles P-C4'-P energy: -111.392 tors. eta vs tors. theta energy: -239.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2554.795959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.795959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.795959 (E_RNA) where: Base-Base interactions energy: -1802.476 where: short stacking energy: -761.105 Base-Backbone interact. energy: -1.342 local terms energy: -750.978474 where: bonds (distance) C4'-P energy: -140.618 bonds (distance) P-C4' energy: -113.087 flat angles C4'-P-C4' energy: -146.890 flat angles P-C4'-P energy: -109.093 tors. eta vs tors. theta energy: -241.290 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: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2477.705112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.705112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.705112 (E_RNA) where: Base-Base interactions energy: -1761.421 where: short stacking energy: -707.761 Base-Backbone interact. energy: -2.810 local terms energy: -713.473552 where: bonds (distance) C4'-P energy: -132.068 bonds (distance) P-C4' energy: -121.670 flat angles C4'-P-C4' energy: -156.911 flat angles P-C4'-P energy: -92.497 tors. eta vs tors. theta energy: -210.328 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: 5 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2329.355208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.355208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.355208 (E_RNA) where: Base-Base interactions energy: -1689.061 where: short stacking energy: -656.125 Base-Backbone interact. energy: -4.367 local terms energy: -635.927306 where: bonds (distance) C4'-P energy: -88.615 bonds (distance) P-C4' energy: -118.075 flat angles C4'-P-C4' energy: -147.550 flat angles P-C4'-P energy: -96.800 tors. eta vs tors. theta energy: -184.887 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: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2302.906690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.906690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.906690 (E_RNA) where: Base-Base interactions energy: -1674.217 where: short stacking energy: -675.468 Base-Backbone interact. energy: 4.837 local terms energy: -633.526866 where: bonds (distance) C4'-P energy: -95.134 bonds (distance) P-C4' energy: -108.007 flat angles C4'-P-C4' energy: -137.266 flat angles P-C4'-P energy: -87.973 tors. eta vs tors. theta energy: -205.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2146.512131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.512131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.512131 (E_RNA) where: Base-Base interactions energy: -1510.867 where: short stacking energy: -603.895 Base-Backbone interact. energy: -2.741 local terms energy: -632.903877 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -115.158 flat angles C4'-P-C4' energy: -143.210 flat angles P-C4'-P energy: -93.409 tors. eta vs tors. theta energy: -170.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1963.449707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.449707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.449707 (E_RNA) where: Base-Base interactions energy: -1357.818 where: short stacking energy: -587.130 Base-Backbone interact. energy: 0.414 local terms energy: -606.045938 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -110.301 flat angles C4'-P-C4' energy: -118.279 flat angles P-C4'-P energy: -85.391 tors. eta vs tors. theta energy: -174.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1826.668037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.668037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.668037 (E_RNA) where: Base-Base interactions energy: -1268.255 where: short stacking energy: -506.351 Base-Backbone interact. energy: 2.797 local terms energy: -561.210328 where: bonds (distance) C4'-P energy: -105.722 bonds (distance) P-C4' energy: -103.961 flat angles C4'-P-C4' energy: -134.769 flat angles P-C4'-P energy: -71.229 tors. eta vs tors. theta energy: -145.529 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: 442 Temperature: 1.350000 Total energy: -1271.043214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.043214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.043214 (E_RNA) where: Base-Base interactions energy: -815.344 where: short stacking energy: -346.733 Base-Backbone interact. energy: -1.031 local terms energy: -454.668144 where: bonds (distance) C4'-P energy: -107.713 bonds (distance) P-C4' energy: -107.169 flat angles C4'-P-C4' energy: -91.949 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -62.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2658.287890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.287890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.287890 (E_RNA) where: Base-Base interactions energy: -1893.142 where: short stacking energy: -768.469 Base-Backbone interact. energy: -2.956 local terms energy: -762.190689 where: bonds (distance) C4'-P energy: -128.916 bonds (distance) P-C4' energy: -137.827 flat angles C4'-P-C4' energy: -154.087 flat angles P-C4'-P energy: -109.238 tors. eta vs tors. theta energy: -232.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2624.384353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.384353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.384353 (E_RNA) where: Base-Base interactions energy: -1888.586 where: short stacking energy: -761.147 Base-Backbone interact. energy: 1.095 local terms energy: -736.893114 where: bonds (distance) C4'-P energy: -126.667 bonds (distance) P-C4' energy: -124.192 flat angles C4'-P-C4' energy: -147.674 flat angles P-C4'-P energy: -113.507 tors. eta vs tors. theta energy: -224.853 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: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2535.450989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.450989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.450989 (E_RNA) where: Base-Base interactions energy: -1780.847 where: short stacking energy: -752.691 Base-Backbone interact. energy: -0.326 local terms energy: -754.277864 where: bonds (distance) C4'-P energy: -119.907 bonds (distance) P-C4' energy: -139.962 flat angles C4'-P-C4' energy: -156.856 flat angles P-C4'-P energy: -107.610 tors. eta vs tors. theta energy: -229.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2462.253174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.253174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.253174 (E_RNA) where: Base-Base interactions energy: -1736.057 where: short stacking energy: -714.312 Base-Backbone interact. energy: -2.176 local terms energy: -724.020044 where: bonds (distance) C4'-P energy: -124.833 bonds (distance) P-C4' energy: -124.833 flat angles C4'-P-C4' energy: -155.762 flat angles P-C4'-P energy: -107.076 tors. eta vs tors. theta energy: -211.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2351.505898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.505898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.505898 (E_RNA) where: Base-Base interactions energy: -1682.701 where: short stacking energy: -664.196 Base-Backbone interact. energy: 0.340 local terms energy: -669.144234 where: bonds (distance) C4'-P energy: -124.303 bonds (distance) P-C4' energy: -100.462 flat angles C4'-P-C4' energy: -142.234 flat angles P-C4'-P energy: -93.920 tors. eta vs tors. theta energy: -208.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2320.813363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.813363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.813363 (E_RNA) where: Base-Base interactions energy: -1667.872 where: short stacking energy: -657.745 Base-Backbone interact. energy: -3.522 local terms energy: -649.419714 where: bonds (distance) C4'-P energy: -99.382 bonds (distance) P-C4' energy: -119.159 flat angles C4'-P-C4' energy: -131.332 flat angles P-C4'-P energy: -96.175 tors. eta vs tors. theta energy: -203.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2163.267066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.267066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.267066 (E_RNA) where: Base-Base interactions energy: -1518.388 where: short stacking energy: -628.123 Base-Backbone interact. energy: -1.897 local terms energy: -642.981891 where: bonds (distance) C4'-P energy: -115.313 bonds (distance) P-C4' energy: -127.775 flat angles C4'-P-C4' energy: -127.699 flat angles P-C4'-P energy: -88.938 tors. eta vs tors. theta energy: -183.257 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: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1991.534996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.534996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.534996 (E_RNA) where: Base-Base interactions energy: -1390.157 where: short stacking energy: -599.709 Base-Backbone interact. energy: -3.448 local terms energy: -597.930346 where: bonds (distance) C4'-P energy: -107.821 bonds (distance) P-C4' energy: -132.073 flat angles C4'-P-C4' energy: -114.493 flat angles P-C4'-P energy: -74.689 tors. eta vs tors. theta energy: -168.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1854.222225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.222225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.222225 (E_RNA) where: Base-Base interactions energy: -1299.923 where: short stacking energy: -530.677 Base-Backbone interact. energy: -3.166 local terms energy: -551.133224 where: bonds (distance) C4'-P energy: -109.535 bonds (distance) P-C4' energy: -110.830 flat angles C4'-P-C4' energy: -115.571 flat angles P-C4'-P energy: -77.002 tors. eta vs tors. theta energy: -138.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1282.049475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.049475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.049475 (E_RNA) where: Base-Base interactions energy: -831.534 where: short stacking energy: -347.872 Base-Backbone interact. energy: -1.954 local terms energy: -448.561164 where: bonds (distance) C4'-P energy: -98.284 bonds (distance) P-C4' energy: -94.712 flat angles C4'-P-C4' energy: -102.072 flat angles P-C4'-P energy: -72.272 tors. eta vs tors. theta energy: -81.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2665.557394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.557394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.557394 (E_RNA) where: Base-Base interactions energy: -1912.760 where: short stacking energy: -773.736 Base-Backbone interact. energy: 0.074 local terms energy: -752.871145 where: bonds (distance) C4'-P energy: -115.528 bonds (distance) P-C4' energy: -139.365 flat angles C4'-P-C4' energy: -164.958 flat angles P-C4'-P energy: -106.498 tors. eta vs tors. theta energy: -226.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2653.546658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.546658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.546658 (E_RNA) where: Base-Base interactions energy: -1886.806 where: short stacking energy: -758.363 Base-Backbone interact. energy: -0.678 local terms energy: -766.062135 where: bonds (distance) C4'-P energy: -145.757 bonds (distance) P-C4' energy: -124.878 flat angles C4'-P-C4' energy: -164.026 flat angles P-C4'-P energy: -104.721 tors. eta vs tors. theta energy: -226.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2559.190872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.190872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.190872 (E_RNA) where: Base-Base interactions energy: -1815.447 where: short stacking energy: -745.159 Base-Backbone interact. energy: -0.886 local terms energy: -742.857524 where: bonds (distance) C4'-P energy: -117.402 bonds (distance) P-C4' energy: -126.723 flat angles C4'-P-C4' energy: -163.073 flat angles P-C4'-P energy: -104.094 tors. eta vs tors. theta energy: -231.565 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: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2466.346463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.346463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.346463 (E_RNA) where: Base-Base interactions energy: -1730.813 where: short stacking energy: -723.536 Base-Backbone interact. energy: 7.084 local terms energy: -742.617206 where: bonds (distance) C4'-P energy: -133.619 bonds (distance) P-C4' energy: -138.355 flat angles C4'-P-C4' energy: -150.832 flat angles P-C4'-P energy: -96.005 tors. eta vs tors. theta energy: -223.806 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: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2349.484128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.484128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.484128 (E_RNA) where: Base-Base interactions energy: -1675.545 where: short stacking energy: -684.231 Base-Backbone interact. energy: 0.680 local terms energy: -674.618760 where: bonds (distance) C4'-P energy: -115.557 bonds (distance) P-C4' energy: -121.026 flat angles C4'-P-C4' energy: -139.014 flat angles P-C4'-P energy: -105.534 tors. eta vs tors. theta energy: -193.488 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: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2236.119411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.119411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.119411 (E_RNA) where: Base-Base interactions energy: -1621.505 where: short stacking energy: -651.916 Base-Backbone interact. energy: 1.714 local terms energy: -616.328404 where: bonds (distance) C4'-P energy: -106.612 bonds (distance) P-C4' energy: -139.599 flat angles C4'-P-C4' energy: -120.066 flat angles P-C4'-P energy: -73.624 tors. eta vs tors. theta energy: -176.427 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: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2133.917972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.917972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.917972 (E_RNA) where: Base-Base interactions energy: -1541.638 where: short stacking energy: -621.260 Base-Backbone interact. energy: -1.972 local terms energy: -590.308461 where: bonds (distance) C4'-P energy: -101.312 bonds (distance) P-C4' energy: -101.276 flat angles C4'-P-C4' energy: -129.569 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -184.536 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: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1988.877992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.877992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.877992 (E_RNA) where: Base-Base interactions energy: -1380.629 where: short stacking energy: -558.377 Base-Backbone interact. energy: -2.837 local terms energy: -605.411812 where: bonds (distance) C4'-P energy: -96.058 bonds (distance) P-C4' energy: -109.733 flat angles C4'-P-C4' energy: -140.496 flat angles P-C4'-P energy: -88.495 tors. eta vs tors. theta energy: -170.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1889.804357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.804357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.804357 (E_RNA) where: Base-Base interactions energy: -1295.326 where: short stacking energy: -531.732 Base-Backbone interact. energy: 5.833 local terms energy: -600.311361 where: bonds (distance) C4'-P energy: -125.610 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -132.297 flat angles P-C4'-P energy: -76.616 tors. eta vs tors. theta energy: -154.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1266.229397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.229397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.229397 (E_RNA) where: Base-Base interactions energy: -797.945 where: short stacking energy: -349.718 Base-Backbone interact. energy: 4.241 local terms energy: -472.525497 where: bonds (distance) C4'-P energy: -101.011 bonds (distance) P-C4' energy: -141.886 flat angles C4'-P-C4' energy: -107.785 flat angles P-C4'-P energy: -66.971 tors. eta vs tors. theta energy: -54.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2677.088462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.088462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.088462 (E_RNA) where: Base-Base interactions energy: -1920.385 where: short stacking energy: -771.207 Base-Backbone interact. energy: -1.915 local terms energy: -754.787759 where: bonds (distance) C4'-P energy: -129.953 bonds (distance) P-C4' energy: -113.126 flat angles C4'-P-C4' energy: -164.891 flat angles P-C4'-P energy: -110.386 tors. eta vs tors. theta energy: -236.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2657.328179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.328179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.328179 (E_RNA) where: Base-Base interactions energy: -1895.299 where: short stacking energy: -776.459 Base-Backbone interact. energy: -4.797 local terms energy: -757.231961 where: bonds (distance) C4'-P energy: -125.903 bonds (distance) P-C4' energy: -125.655 flat angles C4'-P-C4' energy: -154.724 flat angles P-C4'-P energy: -115.482 tors. eta vs tors. theta energy: -235.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2554.078206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.078206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.078206 (E_RNA) where: Base-Base interactions energy: -1791.015 where: short stacking energy: -776.374 Base-Backbone interact. energy: -2.065 local terms energy: -760.997841 where: bonds (distance) C4'-P energy: -123.820 bonds (distance) P-C4' energy: -128.952 flat angles C4'-P-C4' energy: -159.936 flat angles P-C4'-P energy: -102.732 tors. eta vs tors. theta energy: -245.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2471.754530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.754530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.754530 (E_RNA) where: Base-Base interactions energy: -1755.689 where: short stacking energy: -732.468 Base-Backbone interact. energy: -2.301 local terms energy: -713.763756 where: bonds (distance) C4'-P energy: -117.990 bonds (distance) P-C4' energy: -126.117 flat angles C4'-P-C4' energy: -152.422 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -219.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2380.925266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.925266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.925266 (E_RNA) where: Base-Base interactions energy: -1699.466 where: short stacking energy: -668.511 Base-Backbone interact. energy: -3.209 local terms energy: -678.249745 where: bonds (distance) C4'-P energy: -131.679 bonds (distance) P-C4' energy: -115.843 flat angles C4'-P-C4' energy: -151.781 flat angles P-C4'-P energy: -87.481 tors. eta vs tors. theta energy: -191.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2248.869207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.869207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.869207 (E_RNA) where: Base-Base interactions energy: -1593.212 where: short stacking energy: -634.884 Base-Backbone interact. energy: -1.434 local terms energy: -654.223288 where: bonds (distance) C4'-P energy: -103.617 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -146.311 flat angles P-C4'-P energy: -101.237 tors. eta vs tors. theta energy: -178.005 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: 445 Temperature: 1.200000 Total energy: -2158.163526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.163526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.163526 (E_RNA) where: Base-Base interactions energy: -1553.694 where: short stacking energy: -627.074 Base-Backbone interact. energy: 0.495 local terms energy: -604.964687 where: bonds (distance) C4'-P energy: -101.080 bonds (distance) P-C4' energy: -110.088 flat angles C4'-P-C4' energy: -130.111 flat angles P-C4'-P energy: -84.002 tors. eta vs tors. theta energy: -179.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1985.122195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.122195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.122195 (E_RNA) where: Base-Base interactions energy: -1372.627 where: short stacking energy: -569.389 Base-Backbone interact. energy: -1.603 local terms energy: -610.891882 where: bonds (distance) C4'-P energy: -114.187 bonds (distance) P-C4' energy: -116.698 flat angles C4'-P-C4' energy: -123.174 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -165.489 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: 445 Temperature: 1.300000 Total energy: -1847.417820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.417820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.417820 (E_RNA) where: Base-Base interactions energy: -1313.412 where: short stacking energy: -547.302 Base-Backbone interact. energy: 0.689 local terms energy: -534.695543 where: bonds (distance) C4'-P energy: -95.939 bonds (distance) P-C4' energy: -119.448 flat angles C4'-P-C4' energy: -107.848 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -153.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1268.596771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.596771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.596771 (E_RNA) where: Base-Base interactions energy: -844.626 where: short stacking energy: -369.266 Base-Backbone interact. energy: 1.387 local terms energy: -425.357447 where: bonds (distance) C4'-P energy: -97.993 bonds (distance) P-C4' energy: -101.907 flat angles C4'-P-C4' energy: -110.040 flat angles P-C4'-P energy: -38.733 tors. eta vs tors. theta energy: -76.684 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: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2690.522754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.522754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.522754 (E_RNA) where: Base-Base interactions energy: -1897.176 where: short stacking energy: -761.362 Base-Backbone interact. energy: -2.501 local terms energy: -790.845787 where: bonds (distance) C4'-P energy: -135.036 bonds (distance) P-C4' energy: -143.994 flat angles C4'-P-C4' energy: -168.029 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -236.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2644.242618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.242618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.242618 (E_RNA) where: Base-Base interactions energy: -1886.959 where: short stacking energy: -766.444 Base-Backbone interact. energy: 1.137 local terms energy: -758.420153 where: bonds (distance) C4'-P energy: -137.169 bonds (distance) P-C4' energy: -120.096 flat angles C4'-P-C4' energy: -156.150 flat angles P-C4'-P energy: -102.470 tors. eta vs tors. theta energy: -242.535 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: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2549.646400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.646400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.646400 (E_RNA) where: Base-Base interactions energy: -1779.365 where: short stacking energy: -740.978 Base-Backbone interact. energy: -0.924 local terms energy: -769.357263 where: bonds (distance) C4'-P energy: -135.164 bonds (distance) P-C4' energy: -130.102 flat angles C4'-P-C4' energy: -155.650 flat angles P-C4'-P energy: -115.409 tors. eta vs tors. theta energy: -233.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2508.617424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.617424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.617424 (E_RNA) where: Base-Base interactions energy: -1777.725 where: short stacking energy: -715.203 Base-Backbone interact. energy: -0.425 local terms energy: -730.467563 where: bonds (distance) C4'-P energy: -129.764 bonds (distance) P-C4' energy: -125.755 flat angles C4'-P-C4' energy: -147.491 flat angles P-C4'-P energy: -103.377 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: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2394.948267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.948267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.948267 (E_RNA) where: Base-Base interactions energy: -1732.620 where: short stacking energy: -682.068 Base-Backbone interact. energy: 2.038 local terms energy: -664.365888 where: bonds (distance) C4'-P energy: -107.065 bonds (distance) P-C4' energy: -100.675 flat angles C4'-P-C4' energy: -152.903 flat angles P-C4'-P energy: -96.904 tors. eta vs tors. theta energy: -206.819 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: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2264.368031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.368031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.368031 (E_RNA) where: Base-Base interactions energy: -1644.622 where: short stacking energy: -684.621 Base-Backbone interact. energy: -1.380 local terms energy: -618.365368 where: bonds (distance) C4'-P energy: -72.266 bonds (distance) P-C4' energy: -106.302 flat angles C4'-P-C4' energy: -136.370 flat angles P-C4'-P energy: -99.264 tors. eta vs tors. theta energy: -204.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2142.563213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.563213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.563213 (E_RNA) where: Base-Base interactions energy: -1547.438 where: short stacking energy: -628.020 Base-Backbone interact. energy: 0.135 local terms energy: -595.260758 where: bonds (distance) C4'-P energy: -102.834 bonds (distance) P-C4' energy: -88.764 flat angles C4'-P-C4' energy: -141.665 flat angles P-C4'-P energy: -89.226 tors. eta vs tors. theta energy: -172.771 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: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2004.523798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.523798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.523798 (E_RNA) where: Base-Base interactions energy: -1403.073 where: short stacking energy: -587.625 Base-Backbone interact. energy: -2.395 local terms energy: -599.056296 where: bonds (distance) C4'-P energy: -99.991 bonds (distance) P-C4' energy: -107.819 flat angles C4'-P-C4' energy: -132.737 flat angles P-C4'-P energy: -86.652 tors. eta vs tors. theta energy: -171.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1746.290679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.290679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.290679 (E_RNA) where: Base-Base interactions energy: -1243.357 where: short stacking energy: -518.170 Base-Backbone interact. energy: 3.957 local terms energy: -506.889958 where: bonds (distance) C4'-P energy: -85.508 bonds (distance) P-C4' energy: -86.183 flat angles C4'-P-C4' energy: -107.978 flat angles P-C4'-P energy: -84.881 tors. eta vs tors. theta energy: -142.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1232.350795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.350795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.350795 (E_RNA) where: Base-Base interactions energy: -810.509 where: short stacking energy: -368.275 Base-Backbone interact. energy: -0.611 local terms energy: -421.230804 where: bonds (distance) C4'-P energy: -106.501 bonds (distance) P-C4' energy: -111.493 flat angles C4'-P-C4' energy: -101.326 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -34.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2680.034007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.034007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.034007 (E_RNA) where: Base-Base interactions energy: -1909.671 where: short stacking energy: -774.694 Base-Backbone interact. energy: 2.317 local terms energy: -772.679670 where: bonds (distance) C4'-P energy: -138.753 bonds (distance) P-C4' energy: -121.415 flat angles C4'-P-C4' energy: -158.933 flat angles P-C4'-P energy: -123.094 tors. eta vs tors. theta energy: -230.485 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: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2657.435011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.435011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.435011 (E_RNA) where: Base-Base interactions energy: -1900.872 where: short stacking energy: -790.644 Base-Backbone interact. energy: 2.386 local terms energy: -758.948959 where: bonds (distance) C4'-P energy: -120.856 bonds (distance) P-C4' energy: -123.517 flat angles C4'-P-C4' energy: -164.650 flat angles P-C4'-P energy: -114.516 tors. eta vs tors. theta energy: -235.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2525.152964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.152964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.152964 (E_RNA) where: Base-Base interactions energy: -1775.444 where: short stacking energy: -744.099 Base-Backbone interact. energy: -1.521 local terms energy: -748.188316 where: bonds (distance) C4'-P energy: -137.686 bonds (distance) P-C4' energy: -118.778 flat angles C4'-P-C4' energy: -150.399 flat angles P-C4'-P energy: -116.539 tors. eta vs tors. theta energy: -224.787 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: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2492.782349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.782349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.782349 (E_RNA) where: Base-Base interactions energy: -1775.929 where: short stacking energy: -722.694 Base-Backbone interact. energy: -1.582 local terms energy: -715.271603 where: bonds (distance) C4'-P energy: -118.584 bonds (distance) P-C4' energy: -124.925 flat angles C4'-P-C4' energy: -145.089 flat angles P-C4'-P energy: -103.820 tors. eta vs tors. theta energy: -222.854 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: 447 Temperature: 1.100000 Total energy: -2362.093117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.093117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.093117 (E_RNA) where: Base-Base interactions energy: -1683.854 where: short stacking energy: -669.368 Base-Backbone interact. energy: -2.793 local terms energy: -675.446181 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -114.113 flat angles C4'-P-C4' energy: -154.564 flat angles P-C4'-P energy: -97.001 tors. eta vs tors. theta energy: -192.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2191.318928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.318928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.318928 (E_RNA) where: Base-Base interactions energy: -1575.110 where: short stacking energy: -641.251 Base-Backbone interact. energy: 1.029 local terms energy: -617.237804 where: bonds (distance) C4'-P energy: -103.733 bonds (distance) P-C4' energy: -111.784 flat angles C4'-P-C4' energy: -129.015 flat angles P-C4'-P energy: -92.803 tors. eta vs tors. theta energy: -179.903 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: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2147.762803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.762803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.762803 (E_RNA) where: Base-Base interactions energy: -1515.603 where: short stacking energy: -629.974 Base-Backbone interact. energy: -0.052 local terms energy: -632.107903 where: bonds (distance) C4'-P energy: -110.073 bonds (distance) P-C4' energy: -118.675 flat angles C4'-P-C4' energy: -121.180 flat angles P-C4'-P energy: -94.479 tors. eta vs tors. theta energy: -187.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2036.735878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.735878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.735878 (E_RNA) where: Base-Base interactions energy: -1440.713 where: short stacking energy: -592.921 Base-Backbone interact. energy: -2.487 local terms energy: -593.536408 where: bonds (distance) C4'-P energy: -101.976 bonds (distance) P-C4' energy: -110.895 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -86.347 tors. eta vs tors. theta energy: -175.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1706.578066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.578066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.578066 (E_RNA) where: Base-Base interactions energy: -1179.131 where: short stacking energy: -492.139 Base-Backbone interact. energy: -2.110 local terms energy: -525.337220 where: bonds (distance) C4'-P energy: -94.673 bonds (distance) P-C4' energy: -111.282 flat angles C4'-P-C4' energy: -116.421 flat angles P-C4'-P energy: -74.463 tors. eta vs tors. theta energy: -128.498 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: 447 Temperature: 1.350000 Total energy: -1224.107895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.107895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.107895 (E_RNA) where: Base-Base interactions energy: -808.136 where: short stacking energy: -344.604 Base-Backbone interact. energy: -4.531 local terms energy: -411.440875 where: bonds (distance) C4'-P energy: -90.809 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -95.830 flat angles P-C4'-P energy: -62.066 tors. eta vs tors. theta energy: -62.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2690.797452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.797452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.797452 (E_RNA) where: Base-Base interactions energy: -1920.908 where: short stacking energy: -763.666 Base-Backbone interact. energy: 1.034 local terms energy: -770.923670 where: bonds (distance) C4'-P energy: -142.732 bonds (distance) P-C4' energy: -107.665 flat angles C4'-P-C4' energy: -168.553 flat angles P-C4'-P energy: -118.082 tors. eta vs tors. theta energy: -233.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2650.897400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.897400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.897400 (E_RNA) where: Base-Base interactions energy: -1893.539 where: short stacking energy: -773.540 Base-Backbone interact. energy: -2.414 local terms energy: -754.944294 where: bonds (distance) C4'-P energy: -124.402 bonds (distance) P-C4' energy: -134.093 flat angles C4'-P-C4' energy: -142.317 flat angles P-C4'-P energy: -120.784 tors. eta vs tors. theta energy: -233.348 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: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2528.582796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.582796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.582796 (E_RNA) where: Base-Base interactions energy: -1805.415 where: short stacking energy: -762.860 Base-Backbone interact. energy: -0.780 local terms energy: -722.387636 where: bonds (distance) C4'-P energy: -123.686 bonds (distance) P-C4' energy: -111.796 flat angles C4'-P-C4' energy: -151.339 flat angles P-C4'-P energy: -104.444 tors. eta vs tors. theta energy: -231.122 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: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2486.980063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.980063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.980063 (E_RNA) where: Base-Base interactions energy: -1767.742 where: short stacking energy: -714.566 Base-Backbone interact. energy: 6.749 local terms energy: -725.986965 where: bonds (distance) C4'-P energy: -119.119 bonds (distance) P-C4' energy: -123.405 flat angles C4'-P-C4' energy: -150.733 flat angles P-C4'-P energy: -106.043 tors. eta vs tors. theta energy: -226.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2357.440456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.440456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.440456 (E_RNA) where: Base-Base interactions energy: -1668.645 where: short stacking energy: -685.432 Base-Backbone interact. energy: -0.075 local terms energy: -688.720481 where: bonds (distance) C4'-P energy: -113.167 bonds (distance) P-C4' energy: -116.672 flat angles C4'-P-C4' energy: -148.315 flat angles P-C4'-P energy: -106.895 tors. eta vs tors. theta energy: -203.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2236.883583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.883583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.883583 (E_RNA) where: Base-Base interactions energy: -1584.066 where: short stacking energy: -639.467 Base-Backbone interact. energy: 3.201 local terms energy: -656.019054 where: bonds (distance) C4'-P energy: -112.026 bonds (distance) P-C4' energy: -115.312 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -86.098 tors. eta vs tors. theta energy: -190.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2176.673407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.673407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.673407 (E_RNA) where: Base-Base interactions energy: -1546.512 where: short stacking energy: -638.496 Base-Backbone interact. energy: 1.032 local terms energy: -631.193975 where: bonds (distance) C4'-P energy: -105.220 bonds (distance) P-C4' energy: -123.621 flat angles C4'-P-C4' energy: -129.210 flat angles P-C4'-P energy: -80.447 tors. eta vs tors. theta energy: -192.696 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: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2025.288011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.288011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.288011 (E_RNA) where: Base-Base interactions energy: -1432.416 where: short stacking energy: -587.173 Base-Backbone interact. energy: -2.826 local terms energy: -590.045243 where: bonds (distance) C4'-P energy: -99.319 bonds (distance) P-C4' energy: -116.385 flat angles C4'-P-C4' energy: -125.511 flat angles P-C4'-P energy: -82.097 tors. eta vs tors. theta energy: -166.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1786.002776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.002776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.002776 (E_RNA) where: Base-Base interactions energy: -1233.442 where: short stacking energy: -509.295 Base-Backbone interact. energy: 2.014 local terms energy: -554.574795 where: bonds (distance) C4'-P energy: -110.039 bonds (distance) P-C4' energy: -116.248 flat angles C4'-P-C4' energy: -111.545 flat angles P-C4'-P energy: -67.772 tors. eta vs tors. theta energy: -148.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1381.185109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.185109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.185109 (E_RNA) where: Base-Base interactions energy: -916.781 where: short stacking energy: -374.557 Base-Backbone interact. energy: -6.268 local terms energy: -458.135716 where: bonds (distance) C4'-P energy: -103.594 bonds (distance) P-C4' energy: -112.339 flat angles C4'-P-C4' energy: -96.073 flat angles P-C4'-P energy: -70.741 tors. eta vs tors. theta energy: -75.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2677.502971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.502971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.502971 (E_RNA) where: Base-Base interactions energy: -1920.204 where: short stacking energy: -756.928 Base-Backbone interact. energy: 0.247 local terms energy: -757.546337 where: bonds (distance) C4'-P energy: -125.104 bonds (distance) P-C4' energy: -134.260 flat angles C4'-P-C4' energy: -156.889 flat angles P-C4'-P energy: -117.335 tors. eta vs tors. theta energy: -223.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2640.439228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.439228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.439228 (E_RNA) where: Base-Base interactions energy: -1883.317 where: short stacking energy: -770.045 Base-Backbone interact. energy: 0.181 local terms energy: -757.303358 where: bonds (distance) C4'-P energy: -124.291 bonds (distance) P-C4' energy: -129.191 flat angles C4'-P-C4' energy: -161.269 flat angles P-C4'-P energy: -116.298 tors. eta vs tors. theta energy: -226.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2533.876770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.876770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.876770 (E_RNA) where: Base-Base interactions energy: -1793.954 where: short stacking energy: -735.003 Base-Backbone interact. energy: -1.713 local terms energy: -738.209890 where: bonds (distance) C4'-P energy: -126.927 bonds (distance) P-C4' energy: -133.666 flat angles C4'-P-C4' energy: -156.077 flat angles P-C4'-P energy: -87.119 tors. eta vs tors. theta energy: -234.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2491.746807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.746807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.746807 (E_RNA) where: Base-Base interactions energy: -1777.552 where: short stacking energy: -737.005 Base-Backbone interact. energy: -0.432 local terms energy: -713.763269 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -121.636 flat angles C4'-P-C4' energy: -147.337 flat angles P-C4'-P energy: -106.624 tors. eta vs tors. theta energy: -219.328 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: 5 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2311.876726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.876726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.876726 (E_RNA) where: Base-Base interactions energy: -1663.824 where: short stacking energy: -660.501 Base-Backbone interact. energy: -2.626 local terms energy: -645.426943 where: bonds (distance) C4'-P energy: -108.552 bonds (distance) P-C4' energy: -104.622 flat angles C4'-P-C4' energy: -140.555 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -200.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2255.276995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.276995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.276995 (E_RNA) where: Base-Base interactions energy: -1605.687 where: short stacking energy: -642.083 Base-Backbone interact. energy: -1.563 local terms energy: -648.027193 where: bonds (distance) C4'-P energy: -108.018 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -143.553 flat angles P-C4'-P energy: -80.517 tors. eta vs tors. theta energy: -194.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2168.193743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.193743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.193743 (E_RNA) where: Base-Base interactions energy: -1575.922 where: short stacking energy: -636.568 Base-Backbone interact. energy: -0.758 local terms energy: -591.514324 where: bonds (distance) C4'-P energy: -101.812 bonds (distance) P-C4' energy: -94.787 flat angles C4'-P-C4' energy: -123.324 flat angles P-C4'-P energy: -84.843 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: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1988.737594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.737594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.737594 (E_RNA) where: Base-Base interactions energy: -1427.786 where: short stacking energy: -582.791 Base-Backbone interact. energy: 3.191 local terms energy: -564.142783 where: bonds (distance) C4'-P energy: -107.847 bonds (distance) P-C4' energy: -102.047 flat angles C4'-P-C4' energy: -121.054 flat angles P-C4'-P energy: -74.897 tors. eta vs tors. theta energy: -158.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1813.888834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.888834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.888834 (E_RNA) where: Base-Base interactions energy: -1270.509 where: short stacking energy: -529.176 Base-Backbone interact. energy: -1.688 local terms energy: -541.691023 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -116.901 flat angles C4'-P-C4' energy: -116.351 flat angles P-C4'-P energy: -66.664 tors. eta vs tors. theta energy: -144.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1404.867597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.867597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.867597 (E_RNA) where: Base-Base interactions energy: -920.224 where: short stacking energy: -359.200 Base-Backbone interact. energy: 5.205 local terms energy: -489.848063 where: bonds (distance) C4'-P energy: -130.164 bonds (distance) P-C4' energy: -102.624 flat angles C4'-P-C4' energy: -108.100 flat angles P-C4'-P energy: -80.183 tors. eta vs tors. theta energy: -68.778 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: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2675.111515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.111515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.111515 (E_RNA) where: Base-Base interactions energy: -1903.414 where: short stacking energy: -759.890 Base-Backbone interact. energy: -0.780 local terms energy: -770.917402 where: bonds (distance) C4'-P energy: -130.281 bonds (distance) P-C4' energy: -134.870 flat angles C4'-P-C4' energy: -157.935 flat angles P-C4'-P energy: -113.376 tors. eta vs tors. theta energy: -234.456 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: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2656.377311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.377311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.377311 (E_RNA) where: Base-Base interactions energy: -1877.788 where: short stacking energy: -767.141 Base-Backbone interact. energy: 1.435 local terms energy: -780.024696 where: bonds (distance) C4'-P energy: -139.956 bonds (distance) P-C4' energy: -137.183 flat angles C4'-P-C4' energy: -159.838 flat angles P-C4'-P energy: -108.848 tors. eta vs tors. theta energy: -234.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2526.006255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.006255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.006255 (E_RNA) where: Base-Base interactions energy: -1802.477 where: short stacking energy: -763.208 Base-Backbone interact. energy: -0.644 local terms energy: -722.885450 where: bonds (distance) C4'-P energy: -125.767 bonds (distance) P-C4' energy: -127.833 flat angles C4'-P-C4' energy: -142.890 flat angles P-C4'-P energy: -95.656 tors. eta vs tors. theta energy: -230.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2486.633644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.633644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.633644 (E_RNA) where: Base-Base interactions energy: -1748.933 where: short stacking energy: -713.029 Base-Backbone interact. energy: -1.588 local terms energy: -736.112612 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -144.013 flat angles C4'-P-C4' energy: -158.281 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -217.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2352.686670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.686670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.686670 (E_RNA) where: Base-Base interactions energy: -1666.674 where: short stacking energy: -664.482 Base-Backbone interact. energy: -2.516 local terms energy: -683.496472 where: bonds (distance) C4'-P energy: -100.024 bonds (distance) P-C4' energy: -127.682 flat angles C4'-P-C4' energy: -147.814 flat angles P-C4'-P energy: -101.782 tors. eta vs tors. theta energy: -206.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2273.434052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.434052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.434052 (E_RNA) where: Base-Base interactions energy: -1623.987 where: short stacking energy: -669.222 Base-Backbone interact. energy: -2.975 local terms energy: -646.471601 where: bonds (distance) C4'-P energy: -106.072 bonds (distance) P-C4' energy: -131.268 flat angles C4'-P-C4' energy: -139.217 flat angles P-C4'-P energy: -68.296 tors. eta vs tors. theta energy: -201.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2126.705872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.705872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.705872 (E_RNA) where: Base-Base interactions energy: -1522.844 where: short stacking energy: -590.453 Base-Backbone interact. energy: -1.286 local terms energy: -602.575849 where: bonds (distance) C4'-P energy: -110.327 bonds (distance) P-C4' energy: -91.014 flat angles C4'-P-C4' energy: -140.572 flat angles P-C4'-P energy: -78.291 tors. eta vs tors. theta energy: -182.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1977.022756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.022756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.022756 (E_RNA) where: Base-Base interactions energy: -1353.151 where: short stacking energy: -545.273 Base-Backbone interact. energy: -2.660 local terms energy: -621.212312 where: bonds (distance) C4'-P energy: -119.971 bonds (distance) P-C4' energy: -123.486 flat angles C4'-P-C4' energy: -124.004 flat angles P-C4'-P energy: -86.524 tors. eta vs tors. theta energy: -167.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1872.060929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.060929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.060929 (E_RNA) where: Base-Base interactions energy: -1331.669 where: short stacking energy: -546.223 Base-Backbone interact. energy: -1.780 local terms energy: -538.612165 where: bonds (distance) C4'-P energy: -92.000 bonds (distance) P-C4' energy: -97.951 flat angles C4'-P-C4' energy: -124.068 flat angles P-C4'-P energy: -77.872 tors. eta vs tors. theta energy: -146.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1458.469505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.469505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.469505 (E_RNA) where: Base-Base interactions energy: -961.217 where: short stacking energy: -413.226 Base-Backbone interact. energy: -0.003 local terms energy: -497.249695 where: bonds (distance) C4'-P energy: -94.400 bonds (distance) P-C4' energy: -115.161 flat angles C4'-P-C4' energy: -113.841 flat angles P-C4'-P energy: -89.776 tors. eta vs tors. theta energy: -84.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2696.624801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.624801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.624801 (E_RNA) where: Base-Base interactions energy: -1913.566 where: short stacking energy: -780.907 Base-Backbone interact. energy: 0.531 local terms energy: -783.590089 where: bonds (distance) C4'-P energy: -125.350 bonds (distance) P-C4' energy: -142.866 flat angles C4'-P-C4' energy: -156.662 flat angles P-C4'-P energy: -121.200 tors. eta vs tors. theta energy: -237.512 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: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2636.801961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.801961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.801961 (E_RNA) where: Base-Base interactions energy: -1886.481 where: short stacking energy: -760.803 Base-Backbone interact. energy: 0.754 local terms energy: -751.075333 where: bonds (distance) C4'-P energy: -129.249 bonds (distance) P-C4' energy: -138.463 flat angles C4'-P-C4' energy: -147.695 flat angles P-C4'-P energy: -106.411 tors. eta vs tors. theta energy: -229.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2526.509037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.509037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.509037 (E_RNA) where: Base-Base interactions energy: -1797.950 where: short stacking energy: -764.639 Base-Backbone interact. energy: -1.259 local terms energy: -727.300073 where: bonds (distance) C4'-P energy: -117.831 bonds (distance) P-C4' energy: -118.472 flat angles C4'-P-C4' energy: -152.781 flat angles P-C4'-P energy: -98.345 tors. eta vs tors. theta energy: -239.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2513.319000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.319000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.319000 (E_RNA) where: Base-Base interactions energy: -1770.555 where: short stacking energy: -720.709 Base-Backbone interact. energy: -1.541 local terms energy: -741.223359 where: bonds (distance) C4'-P energy: -118.817 bonds (distance) P-C4' energy: -134.077 flat angles C4'-P-C4' energy: -156.535 flat angles P-C4'-P energy: -112.402 tors. eta vs tors. theta energy: -219.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2376.944557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.944557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.944557 (E_RNA) where: Base-Base interactions energy: -1704.834 where: short stacking energy: -671.025 Base-Backbone interact. energy: -2.307 local terms energy: -669.803824 where: bonds (distance) C4'-P energy: -115.948 bonds (distance) P-C4' energy: -120.730 flat angles C4'-P-C4' energy: -146.608 flat angles P-C4'-P energy: -86.547 tors. eta vs tors. theta energy: -199.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2318.211639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.211639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.211639 (E_RNA) where: Base-Base interactions energy: -1623.837 where: short stacking energy: -655.434 Base-Backbone interact. energy: -1.749 local terms energy: -692.625395 where: bonds (distance) C4'-P energy: -123.834 bonds (distance) P-C4' energy: -110.117 flat angles C4'-P-C4' energy: -141.480 flat angles P-C4'-P energy: -106.953 tors. eta vs tors. theta energy: -210.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2103.255935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.255935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.255935 (E_RNA) where: Base-Base interactions energy: -1513.718 where: short stacking energy: -601.230 Base-Backbone interact. energy: 1.958 local terms energy: -591.495998 where: bonds (distance) C4'-P energy: -113.634 bonds (distance) P-C4' energy: -100.465 flat angles C4'-P-C4' energy: -127.624 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: -169.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1989.522552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.522552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.522552 (E_RNA) where: Base-Base interactions energy: -1399.572 where: short stacking energy: -594.127 Base-Backbone interact. energy: -2.393 local terms energy: -587.558127 where: bonds (distance) C4'-P energy: -117.256 bonds (distance) P-C4' energy: -84.868 flat angles C4'-P-C4' energy: -140.715 flat angles P-C4'-P energy: -76.046 tors. eta vs tors. theta energy: -168.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1802.643740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.643740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.643740 (E_RNA) where: Base-Base interactions energy: -1255.650 where: short stacking energy: -503.371 Base-Backbone interact. energy: -0.846 local terms energy: -546.147420 where: bonds (distance) C4'-P energy: -83.071 bonds (distance) P-C4' energy: -123.698 flat angles C4'-P-C4' energy: -131.450 flat angles P-C4'-P energy: -75.019 tors. eta vs tors. theta energy: -132.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1524.736522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.736522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.736522 (E_RNA) where: Base-Base interactions energy: -1031.229 where: short stacking energy: -416.651 Base-Backbone interact. energy: 3.658 local terms energy: -497.166058 where: bonds (distance) C4'-P energy: -102.787 bonds (distance) P-C4' energy: -114.633 flat angles C4'-P-C4' energy: -104.544 flat angles P-C4'-P energy: -71.517 tors. eta vs tors. theta energy: -103.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2715.170138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.170138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.170138 (E_RNA) where: Base-Base interactions energy: -1927.452 where: short stacking energy: -788.573 Base-Backbone interact. energy: -0.735 local terms energy: -786.982418 where: bonds (distance) C4'-P energy: -140.503 bonds (distance) P-C4' energy: -141.894 flat angles C4'-P-C4' energy: -157.080 flat angles P-C4'-P energy: -109.889 tors. eta vs tors. theta energy: -237.616 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: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2633.240515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.240515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.240515 (E_RNA) where: Base-Base interactions energy: -1876.921 where: short stacking energy: -743.757 Base-Backbone interact. energy: -1.052 local terms energy: -755.267202 where: bonds (distance) C4'-P energy: -134.066 bonds (distance) P-C4' energy: -133.444 flat angles C4'-P-C4' energy: -157.782 flat angles P-C4'-P energy: -100.497 tors. eta vs tors. theta energy: -229.477 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: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2539.808963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.808963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.808963 (E_RNA) where: Base-Base interactions energy: -1790.575 where: short stacking energy: -737.607 Base-Backbone interact. energy: -0.265 local terms energy: -748.968873 where: bonds (distance) C4'-P energy: -121.330 bonds (distance) P-C4' energy: -132.439 flat angles C4'-P-C4' energy: -152.718 flat angles P-C4'-P energy: -111.757 tors. eta vs tors. theta energy: -230.725 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: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2490.441244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.441244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.441244 (E_RNA) where: Base-Base interactions energy: -1771.882 where: short stacking energy: -702.976 Base-Backbone interact. energy: -0.170 local terms energy: -718.389185 where: bonds (distance) C4'-P energy: -114.124 bonds (distance) P-C4' energy: -138.984 flat angles C4'-P-C4' energy: -140.828 flat angles P-C4'-P energy: -101.916 tors. eta vs tors. theta energy: -222.536 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: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2319.431066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.431066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.431066 (E_RNA) where: Base-Base interactions energy: -1647.973 where: short stacking energy: -661.050 Base-Backbone interact. energy: 4.079 local terms energy: -675.537462 where: bonds (distance) C4'-P energy: -122.727 bonds (distance) P-C4' energy: -113.294 flat angles C4'-P-C4' energy: -141.694 flat angles P-C4'-P energy: -100.079 tors. eta vs tors. theta energy: -197.744 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: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2303.739498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.739498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.739498 (E_RNA) where: Base-Base interactions energy: -1620.991 where: short stacking energy: -663.447 Base-Backbone interact. energy: -1.594 local terms energy: -681.154431 where: bonds (distance) C4'-P energy: -114.572 bonds (distance) P-C4' energy: -117.353 flat angles C4'-P-C4' energy: -149.379 flat angles P-C4'-P energy: -99.637 tors. eta vs tors. theta energy: -200.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2137.028524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.028524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.028524 (E_RNA) where: Base-Base interactions energy: -1514.925 where: short stacking energy: -608.549 Base-Backbone interact. energy: -2.331 local terms energy: -619.772812 where: bonds (distance) C4'-P energy: -115.864 bonds (distance) P-C4' energy: -114.365 flat angles C4'-P-C4' energy: -125.249 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -181.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2016.659545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.659545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.659545 (E_RNA) where: Base-Base interactions energy: -1403.424 where: short stacking energy: -604.883 Base-Backbone interact. energy: 5.449 local terms energy: -618.684533 where: bonds (distance) C4'-P energy: -122.265 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -129.914 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -183.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1772.040358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.040358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.040358 (E_RNA) where: Base-Base interactions energy: -1208.968 where: short stacking energy: -503.927 Base-Backbone interact. energy: -1.366 local terms energy: -561.706623 where: bonds (distance) C4'-P energy: -115.831 bonds (distance) P-C4' energy: -105.313 flat angles C4'-P-C4' energy: -123.430 flat angles P-C4'-P energy: -77.336 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: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1499.701809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.701809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.701809 (E_RNA) where: Base-Base interactions energy: -1029.591 where: short stacking energy: -432.663 Base-Backbone interact. energy: -0.639 local terms energy: -469.471197 where: bonds (distance) C4'-P energy: -102.845 bonds (distance) P-C4' energy: -106.290 flat angles C4'-P-C4' energy: -97.336 flat angles P-C4'-P energy: -61.858 tors. eta vs tors. theta energy: -101.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2672.030171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.030171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.030171 (E_RNA) where: Base-Base interactions energy: -1910.512 where: short stacking energy: -761.836 Base-Backbone interact. energy: -0.469 local terms energy: -761.048407 where: bonds (distance) C4'-P energy: -119.923 bonds (distance) P-C4' energy: -139.623 flat angles C4'-P-C4' energy: -162.859 flat angles P-C4'-P energy: -106.176 tors. eta vs tors. theta energy: -232.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2630.731408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.731408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.731408 (E_RNA) where: Base-Base interactions energy: -1853.468 where: short stacking energy: -751.214 Base-Backbone interact. energy: -1.413 local terms energy: -775.849699 where: bonds (distance) C4'-P energy: -139.112 bonds (distance) P-C4' energy: -134.808 flat angles C4'-P-C4' energy: -163.171 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -230.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2509.777382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.777382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.777382 (E_RNA) where: Base-Base interactions energy: -1771.689 where: short stacking energy: -733.855 Base-Backbone interact. energy: -0.672 local terms energy: -737.415967 where: bonds (distance) C4'-P energy: -111.447 bonds (distance) P-C4' energy: -127.943 flat angles C4'-P-C4' energy: -162.801 flat angles P-C4'-P energy: -103.320 tors. eta vs tors. theta energy: -231.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2477.642986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.642986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.642986 (E_RNA) where: Base-Base interactions energy: -1763.517 where: short stacking energy: -727.797 Base-Backbone interact. energy: 0.709 local terms energy: -714.834963 where: bonds (distance) C4'-P energy: -115.787 bonds (distance) P-C4' energy: -127.686 flat angles C4'-P-C4' energy: -155.059 flat angles P-C4'-P energy: -97.670 tors. eta vs tors. theta energy: -218.633 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: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2298.817753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.817753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.817753 (E_RNA) where: Base-Base interactions energy: -1654.374 where: short stacking energy: -664.620 Base-Backbone interact. energy: -1.802 local terms energy: -642.641626 where: bonds (distance) C4'-P energy: -109.915 bonds (distance) P-C4' energy: -100.364 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -95.585 tors. eta vs tors. theta energy: -188.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2222.502409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.502409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.502409 (E_RNA) where: Base-Base interactions energy: -1549.250 where: short stacking energy: -652.277 Base-Backbone interact. energy: -1.544 local terms energy: -671.708713 where: bonds (distance) C4'-P energy: -109.865 bonds (distance) P-C4' energy: -129.264 flat angles C4'-P-C4' energy: -143.145 flat angles P-C4'-P energy: -96.595 tors. eta vs tors. theta energy: -192.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2200.949549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.949549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.949549 (E_RNA) where: Base-Base interactions energy: -1568.100 where: short stacking energy: -625.236 Base-Backbone interact. energy: 1.900 local terms energy: -634.750189 where: bonds (distance) C4'-P energy: -118.956 bonds (distance) P-C4' energy: -109.133 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -86.304 tors. eta vs tors. theta energy: -187.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1963.925043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.925043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.925043 (E_RNA) where: Base-Base interactions energy: -1358.012 where: short stacking energy: -575.383 Base-Backbone interact. energy: -0.724 local terms energy: -605.188770 where: bonds (distance) C4'-P energy: -102.836 bonds (distance) P-C4' energy: -120.190 flat angles C4'-P-C4' energy: -136.078 flat angles P-C4'-P energy: -77.707 tors. eta vs tors. theta energy: -168.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1774.106428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.106428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.106428 (E_RNA) where: Base-Base interactions energy: -1230.360 where: short stacking energy: -531.648 Base-Backbone interact. energy: -2.634 local terms energy: -541.113294 where: bonds (distance) C4'-P energy: -109.240 bonds (distance) P-C4' energy: -99.222 flat angles C4'-P-C4' energy: -101.619 flat angles P-C4'-P energy: -84.541 tors. eta vs tors. theta energy: -146.491 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: 453 Temperature: 1.350000 Total energy: -1484.637787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.637787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.637787 (E_RNA) where: Base-Base interactions energy: -993.898 where: short stacking energy: -412.073 Base-Backbone interact. energy: -1.591 local terms energy: -489.148683 where: bonds (distance) C4'-P energy: -92.123 bonds (distance) P-C4' energy: -127.931 flat angles C4'-P-C4' energy: -114.394 flat angles P-C4'-P energy: -68.994 tors. eta vs tors. theta energy: -85.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2692.308281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.308281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.308281 (E_RNA) where: Base-Base interactions energy: -1925.605 where: short stacking energy: -795.517 Base-Backbone interact. energy: -0.332 local terms energy: -766.371748 where: bonds (distance) C4'-P energy: -125.990 bonds (distance) P-C4' energy: -133.034 flat angles C4'-P-C4' energy: -154.624 flat angles P-C4'-P energy: -122.612 tors. eta vs tors. theta energy: -230.112 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: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2608.673665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.673665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.673665 (E_RNA) where: Base-Base interactions energy: -1858.494 where: short stacking energy: -741.613 Base-Backbone interact. energy: 1.566 local terms energy: -751.746369 where: bonds (distance) C4'-P energy: -134.594 bonds (distance) P-C4' energy: -123.780 flat angles C4'-P-C4' energy: -163.774 flat angles P-C4'-P energy: -104.924 tors. eta vs tors. theta energy: -224.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2528.673860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.673860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.673860 (E_RNA) where: Base-Base interactions energy: -1805.100 where: short stacking energy: -731.657 Base-Backbone interact. energy: -2.280 local terms energy: -721.293485 where: bonds (distance) C4'-P energy: -132.845 bonds (distance) P-C4' energy: -131.000 flat angles C4'-P-C4' energy: -138.496 flat angles P-C4'-P energy: -99.811 tors. eta vs tors. theta energy: -219.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2512.986521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.986521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.986521 (E_RNA) where: Base-Base interactions energy: -1766.544 where: short stacking energy: -748.880 Base-Backbone interact. energy: 0.049 local terms energy: -746.491442 where: bonds (distance) C4'-P energy: -131.286 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -148.578 flat angles P-C4'-P energy: -97.716 tors. eta vs tors. theta energy: -234.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2313.828702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.828702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.828702 (E_RNA) where: Base-Base interactions energy: -1641.729 where: short stacking energy: -670.260 Base-Backbone interact. energy: 0.896 local terms energy: -672.995593 where: bonds (distance) C4'-P energy: -113.647 bonds (distance) P-C4' energy: -119.508 flat angles C4'-P-C4' energy: -145.042 flat angles P-C4'-P energy: -97.521 tors. eta vs tors. theta energy: -197.279 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: 9 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2260.667574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.667574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.667574 (E_RNA) where: Base-Base interactions energy: -1612.035 where: short stacking energy: -646.868 Base-Backbone interact. energy: -0.177 local terms energy: -648.455925 where: bonds (distance) C4'-P energy: -112.226 bonds (distance) P-C4' energy: -125.710 flat angles C4'-P-C4' energy: -140.178 flat angles P-C4'-P energy: -78.612 tors. eta vs tors. theta energy: -191.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2126.156030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.156030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.156030 (E_RNA) where: Base-Base interactions energy: -1536.752 where: short stacking energy: -597.781 Base-Backbone interact. energy: -0.815 local terms energy: -588.588557 where: bonds (distance) C4'-P energy: -107.563 bonds (distance) P-C4' energy: -111.567 flat angles C4'-P-C4' energy: -126.357 flat angles P-C4'-P energy: -74.668 tors. eta vs tors. theta energy: -168.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1887.513806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.513806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.513806 (E_RNA) where: Base-Base interactions energy: -1336.564 where: short stacking energy: -574.458 Base-Backbone interact. energy: 1.561 local terms energy: -552.510775 where: bonds (distance) C4'-P energy: -86.462 bonds (distance) P-C4' energy: -99.078 flat angles C4'-P-C4' energy: -133.704 flat angles P-C4'-P energy: -75.879 tors. eta vs tors. theta energy: -157.389 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: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1764.426330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.426330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.426330 (E_RNA) where: Base-Base interactions energy: -1204.629 where: short stacking energy: -495.844 Base-Backbone interact. energy: -1.680 local terms energy: -558.117376 where: bonds (distance) C4'-P energy: -111.641 bonds (distance) P-C4' energy: -117.542 flat angles C4'-P-C4' energy: -116.629 flat angles P-C4'-P energy: -67.397 tors. eta vs tors. theta energy: -144.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1513.076961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.076961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.076961 (E_RNA) where: Base-Base interactions energy: -1030.977 where: short stacking energy: -419.019 Base-Backbone interact. energy: 2.529 local terms energy: -484.629217 where: bonds (distance) C4'-P energy: -103.244 bonds (distance) P-C4' energy: -93.510 flat angles C4'-P-C4' energy: -122.469 flat angles P-C4'-P energy: -68.446 tors. eta vs tors. theta energy: -96.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2694.289109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.289109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.289109 (E_RNA) where: Base-Base interactions energy: -1909.833 where: short stacking energy: -797.541 Base-Backbone interact. energy: 3.195 local terms energy: -787.651486 where: bonds (distance) C4'-P energy: -134.490 bonds (distance) P-C4' energy: -128.988 flat angles C4'-P-C4' energy: -162.790 flat angles P-C4'-P energy: -119.862 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: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2601.984946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.984946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.984946 (E_RNA) where: Base-Base interactions energy: -1855.182 where: short stacking energy: -752.989 Base-Backbone interact. energy: -3.460 local terms energy: -743.343013 where: bonds (distance) C4'-P energy: -130.468 bonds (distance) P-C4' energy: -131.891 flat angles C4'-P-C4' energy: -148.498 flat angles P-C4'-P energy: -105.475 tors. eta vs tors. theta energy: -227.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2525.119625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.119625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.119625 (E_RNA) where: Base-Base interactions energy: -1779.678 where: short stacking energy: -715.030 Base-Backbone interact. energy: -1.400 local terms energy: -744.041238 where: bonds (distance) C4'-P energy: -133.610 bonds (distance) P-C4' energy: -130.682 flat angles C4'-P-C4' energy: -153.795 flat angles P-C4'-P energy: -110.981 tors. eta vs tors. theta energy: -214.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2536.321999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.321999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.321999 (E_RNA) where: Base-Base interactions energy: -1781.275 where: short stacking energy: -760.789 Base-Backbone interact. energy: -2.173 local terms energy: -752.874641 where: bonds (distance) C4'-P energy: -126.687 bonds (distance) P-C4' energy: -125.966 flat angles C4'-P-C4' energy: -160.210 flat angles P-C4'-P energy: -106.226 tors. eta vs tors. theta energy: -233.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2340.254260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.254260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.254260 (E_RNA) where: Base-Base interactions energy: -1665.331 where: short stacking energy: -676.510 Base-Backbone interact. energy: -0.468 local terms energy: -674.455523 where: bonds (distance) C4'-P energy: -112.616 bonds (distance) P-C4' energy: -117.057 flat angles C4'-P-C4' energy: -149.295 flat angles P-C4'-P energy: -94.335 tors. eta vs tors. theta energy: -201.153 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: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2271.000115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.000115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.000115 (E_RNA) where: Base-Base interactions energy: -1621.730 where: short stacking energy: -668.492 Base-Backbone interact. energy: -0.815 local terms energy: -648.455186 where: bonds (distance) C4'-P energy: -96.556 bonds (distance) P-C4' energy: -123.849 flat angles C4'-P-C4' energy: -135.381 flat angles P-C4'-P energy: -96.176 tors. eta vs tors. theta energy: -196.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2199.412971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.412971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.412971 (E_RNA) where: Base-Base interactions energy: -1582.489 where: short stacking energy: -628.252 Base-Backbone interact. energy: 5.185 local terms energy: -622.109087 where: bonds (distance) C4'-P energy: -106.373 bonds (distance) P-C4' energy: -114.404 flat angles C4'-P-C4' energy: -144.360 flat angles P-C4'-P energy: -78.325 tors. eta vs tors. theta energy: -178.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1899.962540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.962540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.962540 (E_RNA) where: Base-Base interactions energy: -1333.608 where: short stacking energy: -550.676 Base-Backbone interact. energy: -2.296 local terms energy: -564.058867 where: bonds (distance) C4'-P energy: -106.737 bonds (distance) P-C4' energy: -110.227 flat angles C4'-P-C4' energy: -117.489 flat angles P-C4'-P energy: -71.275 tors. eta vs tors. theta energy: -158.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1751.585124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.585124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.585124 (E_RNA) where: Base-Base interactions energy: -1210.850 where: short stacking energy: -495.085 Base-Backbone interact. energy: 2.140 local terms energy: -542.875436 where: bonds (distance) C4'-P energy: -113.985 bonds (distance) P-C4' energy: -113.052 flat angles C4'-P-C4' energy: -117.085 flat angles P-C4'-P energy: -77.102 tors. eta vs tors. theta energy: -121.652 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: 455 Temperature: 1.350000 Total energy: -1452.867401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.867401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.867401 (E_RNA) where: Base-Base interactions energy: -1009.516 where: short stacking energy: -374.434 Base-Backbone interact. energy: -2.153 local terms energy: -441.197824 where: bonds (distance) C4'-P energy: -90.440 bonds (distance) P-C4' energy: -103.512 flat angles C4'-P-C4' energy: -104.540 flat angles P-C4'-P energy: -65.500 tors. eta vs tors. theta energy: -77.206 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: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2708.674176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.674176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.674176 (E_RNA) where: Base-Base interactions energy: -1933.926 where: short stacking energy: -803.064 Base-Backbone interact. energy: -2.848 local terms energy: -771.899809 where: bonds (distance) C4'-P energy: -132.579 bonds (distance) P-C4' energy: -135.327 flat angles C4'-P-C4' energy: -152.072 flat angles P-C4'-P energy: -109.639 tors. eta vs tors. theta energy: -242.283 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: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2575.536928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.536928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.536928 (E_RNA) where: Base-Base interactions energy: -1819.541 where: short stacking energy: -729.462 Base-Backbone interact. energy: -2.842 local terms energy: -753.153406 where: bonds (distance) C4'-P energy: -139.145 bonds (distance) P-C4' energy: -134.458 flat angles C4'-P-C4' energy: -160.339 flat angles P-C4'-P energy: -101.575 tors. eta vs tors. theta energy: -217.637 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: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2534.054180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.054180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.054180 (E_RNA) where: Base-Base interactions energy: -1819.770 where: short stacking energy: -752.601 Base-Backbone interact. energy: 0.572 local terms energy: -714.856414 where: bonds (distance) C4'-P energy: -109.840 bonds (distance) P-C4' energy: -116.723 flat angles C4'-P-C4' energy: -158.039 flat angles P-C4'-P energy: -102.686 tors. eta vs tors. theta energy: -227.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2478.348328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.348328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.348328 (E_RNA) where: Base-Base interactions energy: -1751.024 where: short stacking energy: -714.664 Base-Backbone interact. energy: -1.269 local terms energy: -726.055268 where: bonds (distance) C4'-P energy: -121.114 bonds (distance) P-C4' energy: -118.337 flat angles C4'-P-C4' energy: -151.404 flat angles P-C4'-P energy: -112.037 tors. eta vs tors. theta energy: -223.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2312.982259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.982259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.982259 (E_RNA) where: Base-Base interactions energy: -1650.305 where: short stacking energy: -673.088 Base-Backbone interact. energy: -0.579 local terms energy: -662.097675 where: bonds (distance) C4'-P energy: -106.232 bonds (distance) P-C4' energy: -110.192 flat angles C4'-P-C4' energy: -152.919 flat angles P-C4'-P energy: -91.846 tors. eta vs tors. theta energy: -200.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2252.991960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.991960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.991960 (E_RNA) where: Base-Base interactions energy: -1630.640 where: short stacking energy: -673.957 Base-Backbone interact. energy: -1.825 local terms energy: -620.526248 where: bonds (distance) C4'-P energy: -114.464 bonds (distance) P-C4' energy: -100.796 flat angles C4'-P-C4' energy: -131.790 flat angles P-C4'-P energy: -80.644 tors. eta vs tors. theta energy: -192.832 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2157.736344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.736344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.736344 (E_RNA) where: Base-Base interactions energy: -1553.835 where: short stacking energy: -635.056 Base-Backbone interact. energy: 2.021 local terms energy: -605.922107 where: bonds (distance) C4'-P energy: -107.745 bonds (distance) P-C4' energy: -110.332 flat angles C4'-P-C4' energy: -135.404 flat angles P-C4'-P energy: -76.155 tors. eta vs tors. theta energy: -176.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1952.890973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.890973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.890973 (E_RNA) where: Base-Base interactions energy: -1377.302 where: short stacking energy: -572.269 Base-Backbone interact. energy: 1.377 local terms energy: -576.965952 where: bonds (distance) C4'-P energy: -113.423 bonds (distance) P-C4' energy: -100.733 flat angles C4'-P-C4' energy: -125.223 flat angles P-C4'-P energy: -70.182 tors. eta vs tors. theta energy: -167.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1776.262826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.262826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.262826 (E_RNA) where: Base-Base interactions energy: -1202.857 where: short stacking energy: -519.562 Base-Backbone interact. energy: -1.644 local terms energy: -571.762264 where: bonds (distance) C4'-P energy: -108.650 bonds (distance) P-C4' energy: -103.598 flat angles C4'-P-C4' energy: -145.694 flat angles P-C4'-P energy: -71.984 tors. eta vs tors. theta energy: -141.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1416.419090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.419090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.419090 (E_RNA) where: Base-Base interactions energy: -961.728 where: short stacking energy: -398.363 Base-Backbone interact. energy: -1.582 local terms energy: -453.109043 where: bonds (distance) C4'-P energy: -113.529 bonds (distance) P-C4' energy: -113.613 flat angles C4'-P-C4' energy: -84.396 flat angles P-C4'-P energy: -61.342 tors. eta vs tors. theta energy: -80.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2712.848678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.848678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.848678 (E_RNA) where: Base-Base interactions energy: -1919.301 where: short stacking energy: -781.759 Base-Backbone interact. energy: -0.781 local terms energy: -792.767232 where: bonds (distance) C4'-P energy: -136.545 bonds (distance) P-C4' energy: -142.976 flat angles C4'-P-C4' energy: -164.710 flat angles P-C4'-P energy: -108.669 tors. eta vs tors. theta energy: -239.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2599.149197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.149197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.149197 (E_RNA) where: Base-Base interactions energy: -1841.736 where: short stacking energy: -758.606 Base-Backbone interact. energy: -1.547 local terms energy: -755.866212 where: bonds (distance) C4'-P energy: -123.482 bonds (distance) P-C4' energy: -137.233 flat angles C4'-P-C4' energy: -152.636 flat angles P-C4'-P energy: -110.799 tors. eta vs tors. theta energy: -231.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2536.630251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.630251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.630251 (E_RNA) where: Base-Base interactions energy: -1807.014 where: short stacking energy: -752.294 Base-Backbone interact. energy: -1.370 local terms energy: -728.245891 where: bonds (distance) C4'-P energy: -126.055 bonds (distance) P-C4' energy: -119.650 flat angles C4'-P-C4' energy: -155.976 flat angles P-C4'-P energy: -92.287 tors. eta vs tors. theta energy: -234.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2507.979198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.979198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.979198 (E_RNA) where: Base-Base interactions energy: -1804.959 where: short stacking energy: -711.015 Base-Backbone interact. energy: 0.711 local terms energy: -703.731380 where: bonds (distance) C4'-P energy: -131.234 bonds (distance) P-C4' energy: -113.935 flat angles C4'-P-C4' energy: -151.117 flat angles P-C4'-P energy: -95.773 tors. eta vs tors. theta energy: -211.672 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: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2302.934717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.934717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.934717 (E_RNA) where: Base-Base interactions energy: -1644.484 where: short stacking energy: -658.985 Base-Backbone interact. energy: 1.801 local terms energy: -660.252210 where: bonds (distance) C4'-P energy: -117.766 bonds (distance) P-C4' energy: -118.180 flat angles C4'-P-C4' energy: -136.910 flat angles P-C4'-P energy: -85.856 tors. eta vs tors. theta energy: -201.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2234.741128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.741128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.741128 (E_RNA) where: Base-Base interactions energy: -1575.830 where: short stacking energy: -633.007 Base-Backbone interact. energy: -1.144 local terms energy: -657.766668 where: bonds (distance) C4'-P energy: -122.885 bonds (distance) P-C4' energy: -126.635 flat angles C4'-P-C4' energy: -134.139 flat angles P-C4'-P energy: -82.871 tors. eta vs tors. theta energy: -191.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2224.924055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.924055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.924055 (E_RNA) where: Base-Base interactions energy: -1565.379 where: short stacking energy: -640.743 Base-Backbone interact. energy: -1.098 local terms energy: -658.446772 where: bonds (distance) C4'-P energy: -120.339 bonds (distance) P-C4' energy: -132.688 flat angles C4'-P-C4' energy: -138.229 flat angles P-C4'-P energy: -75.901 tors. eta vs tors. theta energy: -191.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1961.548565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.548565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.548565 (E_RNA) where: Base-Base interactions energy: -1392.779 where: short stacking energy: -578.307 Base-Backbone interact. energy: 1.459 local terms energy: -570.229171 where: bonds (distance) C4'-P energy: -96.171 bonds (distance) P-C4' energy: -103.492 flat angles C4'-P-C4' energy: -130.439 flat angles P-C4'-P energy: -73.074 tors. eta vs tors. theta energy: -167.053 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: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1845.754444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.754444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.754444 (E_RNA) where: Base-Base interactions energy: -1311.604 where: short stacking energy: -541.168 Base-Backbone interact. energy: -0.016 local terms energy: -534.134238 where: bonds (distance) C4'-P energy: -101.186 bonds (distance) P-C4' energy: -100.786 flat angles C4'-P-C4' energy: -117.090 flat angles P-C4'-P energy: -68.010 tors. eta vs tors. theta energy: -147.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1369.347997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.347997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.347997 (E_RNA) where: Base-Base interactions energy: -931.634 where: short stacking energy: -399.520 Base-Backbone interact. energy: 2.347 local terms energy: -440.060908 where: bonds (distance) C4'-P energy: -83.359 bonds (distance) P-C4' energy: -114.301 flat angles C4'-P-C4' energy: -105.150 flat angles P-C4'-P energy: -63.920 tors. eta vs tors. theta energy: -73.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2738.015973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.015973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.015973 (E_RNA) where: Base-Base interactions energy: -1943.232 where: short stacking energy: -794.372 Base-Backbone interact. energy: -4.114 local terms energy: -790.669162 where: bonds (distance) C4'-P energy: -139.473 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -165.484 flat angles P-C4'-P energy: -113.807 tors. eta vs tors. theta energy: -242.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2612.944955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.944955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.944955 (E_RNA) where: Base-Base interactions energy: -1905.404 where: short stacking energy: -746.281 Base-Backbone interact. energy: 0.551 local terms energy: -708.091991 where: bonds (distance) C4'-P energy: -104.509 bonds (distance) P-C4' energy: -119.966 flat angles C4'-P-C4' energy: -156.912 flat angles P-C4'-P energy: -96.128 tors. eta vs tors. theta energy: -230.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2523.543161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.543161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.543161 (E_RNA) where: Base-Base interactions energy: -1819.695 where: short stacking energy: -736.791 Base-Backbone interact. energy: -3.417 local terms energy: -700.432064 where: bonds (distance) C4'-P energy: -123.089 bonds (distance) P-C4' energy: -118.466 flat angles C4'-P-C4' energy: -146.136 flat angles P-C4'-P energy: -93.312 tors. eta vs tors. theta energy: -219.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2498.554898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.554898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.554898 (E_RNA) where: Base-Base interactions energy: -1760.603 where: short stacking energy: -739.096 Base-Backbone interact. energy: -0.189 local terms energy: -737.762473 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -122.794 flat angles C4'-P-C4' energy: -158.432 flat angles P-C4'-P energy: -101.652 tors. eta vs tors. theta energy: -242.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2252.495388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.495388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.495388 (E_RNA) where: Base-Base interactions energy: -1632.826 where: short stacking energy: -668.243 Base-Backbone interact. energy: -0.527 local terms energy: -619.142400 where: bonds (distance) C4'-P energy: -102.429 bonds (distance) P-C4' energy: -107.474 flat angles C4'-P-C4' energy: -128.674 flat angles P-C4'-P energy: -77.311 tors. eta vs tors. theta energy: -203.254 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: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2254.434447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.434447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.434447 (E_RNA) where: Base-Base interactions energy: -1564.634 where: short stacking energy: -618.520 Base-Backbone interact. energy: -1.813 local terms energy: -687.987929 where: bonds (distance) C4'-P energy: -123.843 bonds (distance) P-C4' energy: -141.246 flat angles C4'-P-C4' energy: -149.176 flat angles P-C4'-P energy: -86.863 tors. eta vs tors. theta energy: -186.861 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2149.718782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.718782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.718782 (E_RNA) where: Base-Base interactions energy: -1527.629 where: short stacking energy: -593.510 Base-Backbone interact. energy: -2.731 local terms energy: -619.359381 where: bonds (distance) C4'-P energy: -96.885 bonds (distance) P-C4' energy: -119.228 flat angles C4'-P-C4' energy: -136.823 flat angles P-C4'-P energy: -95.201 tors. eta vs tors. theta energy: -171.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1980.309046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.309046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.309046 (E_RNA) where: Base-Base interactions energy: -1395.810 where: short stacking energy: -557.260 Base-Backbone interact. energy: -4.057 local terms energy: -580.442232 where: bonds (distance) C4'-P energy: -119.890 bonds (distance) P-C4' energy: -107.159 flat angles C4'-P-C4' energy: -122.947 flat angles P-C4'-P energy: -71.446 tors. eta vs tors. theta energy: -159.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1734.588102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.588102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.588102 (E_RNA) where: Base-Base interactions energy: -1168.872 where: short stacking energy: -481.321 Base-Backbone interact. energy: 0.610 local terms energy: -566.326969 where: bonds (distance) C4'-P energy: -119.495 bonds (distance) P-C4' energy: -121.976 flat angles C4'-P-C4' energy: -117.409 flat angles P-C4'-P energy: -72.945 tors. eta vs tors. theta energy: -134.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1298.771256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.771256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.771256 (E_RNA) where: Base-Base interactions energy: -861.482 where: short stacking energy: -353.476 Base-Backbone interact. energy: -1.789 local terms energy: -435.500302 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -107.388 flat angles C4'-P-C4' energy: -110.173 flat angles P-C4'-P energy: -73.922 tors. eta vs tors. theta energy: -64.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2714.302311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.302311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.302311 (E_RNA) where: Base-Base interactions energy: -1910.549 where: short stacking energy: -780.592 Base-Backbone interact. energy: -1.578 local terms energy: -802.175099 where: bonds (distance) C4'-P energy: -139.876 bonds (distance) P-C4' energy: -143.918 flat angles C4'-P-C4' energy: -158.319 flat angles P-C4'-P energy: -118.582 tors. eta vs tors. theta energy: -241.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2605.811549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.811549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.811549 (E_RNA) where: Base-Base interactions energy: -1855.946 where: short stacking energy: -747.748 Base-Backbone interact. energy: -0.545 local terms energy: -749.320849 where: bonds (distance) C4'-P energy: -123.899 bonds (distance) P-C4' energy: -136.705 flat angles C4'-P-C4' energy: -152.330 flat angles P-C4'-P energy: -117.092 tors. eta vs tors. theta energy: -219.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2504.102347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.102347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.102347 (E_RNA) where: Base-Base interactions energy: -1784.564 where: short stacking energy: -713.278 Base-Backbone interact. energy: 1.606 local terms energy: -721.143748 where: bonds (distance) C4'-P energy: -128.001 bonds (distance) P-C4' energy: -125.064 flat angles C4'-P-C4' energy: -156.402 flat angles P-C4'-P energy: -96.486 tors. eta vs tors. theta energy: -215.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2508.404318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.404318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.404318 (E_RNA) where: Base-Base interactions energy: -1784.410 where: short stacking energy: -729.972 Base-Backbone interact. energy: -0.431 local terms energy: -723.563086 where: bonds (distance) C4'-P energy: -124.369 bonds (distance) P-C4' energy: -127.056 flat angles C4'-P-C4' energy: -148.136 flat angles P-C4'-P energy: -103.734 tors. eta vs tors. theta energy: -220.268 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: 459 Temperature: 1.100000 Total energy: -2249.966199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.966199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.966199 (E_RNA) where: Base-Base interactions energy: -1641.737 where: short stacking energy: -636.393 Base-Backbone interact. energy: -1.719 local terms energy: -606.510222 where: bonds (distance) C4'-P energy: -105.574 bonds (distance) P-C4' energy: -104.901 flat angles C4'-P-C4' energy: -134.391 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: -181.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2272.418693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.418693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.418693 (E_RNA) where: Base-Base interactions energy: -1669.334 where: short stacking energy: -671.858 Base-Backbone interact. energy: 1.827 local terms energy: -604.911363 where: bonds (distance) C4'-P energy: -90.164 bonds (distance) P-C4' energy: -89.697 flat angles C4'-P-C4' energy: -129.655 flat angles P-C4'-P energy: -101.795 tors. eta vs tors. theta energy: -193.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2137.249604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.249604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.249604 (E_RNA) where: Base-Base interactions energy: -1511.477 where: short stacking energy: -609.841 Base-Backbone interact. energy: -0.953 local terms energy: -624.819010 where: bonds (distance) C4'-P energy: -109.327 bonds (distance) P-C4' energy: -106.517 flat angles C4'-P-C4' energy: -145.214 flat angles P-C4'-P energy: -84.381 tors. eta vs tors. theta energy: -179.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1919.122176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.122176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.122176 (E_RNA) where: Base-Base interactions energy: -1364.049 where: short stacking energy: -552.763 Base-Backbone interact. energy: -0.660 local terms energy: -554.413651 where: bonds (distance) C4'-P energy: -101.060 bonds (distance) P-C4' energy: -111.034 flat angles C4'-P-C4' energy: -126.050 flat angles P-C4'-P energy: -69.062 tors. eta vs tors. theta energy: -147.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1726.858490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.858490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.858490 (E_RNA) where: Base-Base interactions energy: -1191.982 where: short stacking energy: -515.601 Base-Backbone interact. energy: -0.686 local terms energy: -534.190587 where: bonds (distance) C4'-P energy: -91.016 bonds (distance) P-C4' energy: -128.018 flat angles C4'-P-C4' energy: -120.980 flat angles P-C4'-P energy: -67.348 tors. eta vs tors. theta energy: -126.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1353.457715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.457715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.457715 (E_RNA) where: Base-Base interactions energy: -889.054 where: short stacking energy: -394.508 Base-Backbone interact. energy: 4.184 local terms energy: -468.587907 where: bonds (distance) C4'-P energy: -88.445 bonds (distance) P-C4' energy: -104.844 flat angles C4'-P-C4' energy: -106.839 flat angles P-C4'-P energy: -85.056 tors. eta vs tors. theta energy: -83.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2706.534086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.534086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.534086 (E_RNA) where: Base-Base interactions energy: -1922.416 where: short stacking energy: -785.075 Base-Backbone interact. energy: 2.242 local terms energy: -786.360138 where: bonds (distance) C4'-P energy: -132.149 bonds (distance) P-C4' energy: -150.437 flat angles C4'-P-C4' energy: -160.191 flat angles P-C4'-P energy: -100.525 tors. eta vs tors. theta energy: -243.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2624.639440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.639440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.639440 (E_RNA) where: Base-Base interactions energy: -1863.168 where: short stacking energy: -770.308 Base-Backbone interact. energy: -3.687 local terms energy: -757.785282 where: bonds (distance) C4'-P energy: -118.756 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -165.248 flat angles P-C4'-P energy: -102.010 tors. eta vs tors. theta energy: -232.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2533.503867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.503867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.503867 (E_RNA) where: Base-Base interactions energy: -1813.944 where: short stacking energy: -749.369 Base-Backbone interact. energy: -0.213 local terms energy: -719.346104 where: bonds (distance) C4'-P energy: -120.851 bonds (distance) P-C4' energy: -106.324 flat angles C4'-P-C4' energy: -150.766 flat angles P-C4'-P energy: -104.408 tors. eta vs tors. theta energy: -236.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2474.268498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.268498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.268498 (E_RNA) where: Base-Base interactions energy: -1794.276 where: short stacking energy: -725.901 Base-Backbone interact. energy: -3.490 local terms energy: -676.502858 where: bonds (distance) C4'-P energy: -111.775 bonds (distance) P-C4' energy: -121.418 flat angles C4'-P-C4' energy: -141.312 flat angles P-C4'-P energy: -84.523 tors. eta vs tors. theta energy: -217.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2281.079513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.079513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.079513 (E_RNA) where: Base-Base interactions energy: -1600.590 where: short stacking energy: -642.104 Base-Backbone interact. energy: -2.035 local terms energy: -678.454498 where: bonds (distance) C4'-P energy: -120.826 bonds (distance) P-C4' energy: -133.724 flat angles C4'-P-C4' energy: -148.330 flat angles P-C4'-P energy: -89.239 tors. eta vs tors. theta energy: -186.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2266.097395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.097395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.097395 (E_RNA) where: Base-Base interactions energy: -1632.403 where: short stacking energy: -667.451 Base-Backbone interact. energy: 0.415 local terms energy: -634.109727 where: bonds (distance) C4'-P energy: -85.426 bonds (distance) P-C4' energy: -118.777 flat angles C4'-P-C4' energy: -141.341 flat angles P-C4'-P energy: -94.634 tors. eta vs tors. theta energy: -193.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2153.619618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.619618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.619618 (E_RNA) where: Base-Base interactions energy: -1549.794 where: short stacking energy: -613.567 Base-Backbone interact. energy: -0.214 local terms energy: -603.612008 where: bonds (distance) C4'-P energy: -97.269 bonds (distance) P-C4' energy: -111.111 flat angles C4'-P-C4' energy: -134.573 flat angles P-C4'-P energy: -89.747 tors. eta vs tors. theta energy: -170.913 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: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1977.854026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.854026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.854026 (E_RNA) where: Base-Base interactions energy: -1393.348 where: short stacking energy: -590.565 Base-Backbone interact. energy: -0.523 local terms energy: -583.982741 where: bonds (distance) C4'-P energy: -103.094 bonds (distance) P-C4' energy: -110.475 flat angles C4'-P-C4' energy: -137.406 flat angles P-C4'-P energy: -77.733 tors. eta vs tors. theta energy: -155.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1707.563505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.563505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.563505 (E_RNA) where: Base-Base interactions energy: -1171.698 where: short stacking energy: -490.774 Base-Backbone interact. energy: 2.688 local terms energy: -538.553192 where: bonds (distance) C4'-P energy: -101.312 bonds (distance) P-C4' energy: -108.766 flat angles C4'-P-C4' energy: -115.804 flat angles P-C4'-P energy: -79.136 tors. eta vs tors. theta energy: -133.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1332.379255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.379255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.379255 (E_RNA) where: Base-Base interactions energy: -893.109 where: short stacking energy: -391.419 Base-Backbone interact. energy: -1.505 local terms energy: -437.765260 where: bonds (distance) C4'-P energy: -100.197 bonds (distance) P-C4' energy: -94.840 flat angles C4'-P-C4' energy: -98.793 flat angles P-C4'-P energy: -70.192 tors. eta vs tors. theta energy: -73.744 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: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2719.418626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.418626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.418626 (E_RNA) where: Base-Base interactions energy: -1923.134 where: short stacking energy: -801.296 Base-Backbone interact. energy: -1.271 local terms energy: -795.013659 where: bonds (distance) C4'-P energy: -137.832 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -163.207 flat angles P-C4'-P energy: -102.839 tors. eta vs tors. theta energy: -239.756 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: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2620.056700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.056700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.056700 (E_RNA) where: Base-Base interactions energy: -1849.392 where: short stacking energy: -755.775 Base-Backbone interact. energy: -2.096 local terms energy: -768.568912 where: bonds (distance) C4'-P energy: -141.289 bonds (distance) P-C4' energy: -139.938 flat angles C4'-P-C4' energy: -162.307 flat angles P-C4'-P energy: -98.409 tors. eta vs tors. theta energy: -226.627 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: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2518.591541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.591541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.591541 (E_RNA) where: Base-Base interactions energy: -1748.991 where: short stacking energy: -734.430 Base-Backbone interact. energy: -1.945 local terms energy: -767.655658 where: bonds (distance) C4'-P energy: -137.041 bonds (distance) P-C4' energy: -133.429 flat angles C4'-P-C4' energy: -151.373 flat angles P-C4'-P energy: -112.788 tors. eta vs tors. theta energy: -233.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2477.490439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.490439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.490439 (E_RNA) where: Base-Base interactions energy: -1775.504 where: short stacking energy: -710.188 Base-Backbone interact. energy: -2.615 local terms energy: -699.371603 where: bonds (distance) C4'-P energy: -115.156 bonds (distance) P-C4' energy: -112.812 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -100.606 tors. eta vs tors. theta energy: -217.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2308.424695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.424695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.424695 (E_RNA) where: Base-Base interactions energy: -1631.712 where: short stacking energy: -684.939 Base-Backbone interact. energy: -1.378 local terms energy: -675.335444 where: bonds (distance) C4'-P energy: -111.678 bonds (distance) P-C4' energy: -121.278 flat angles C4'-P-C4' energy: -146.557 flat angles P-C4'-P energy: -90.742 tors. eta vs tors. theta energy: -205.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2263.440219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.440219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.440219 (E_RNA) where: Base-Base interactions energy: -1621.815 where: short stacking energy: -648.665 Base-Backbone interact. energy: -0.995 local terms energy: -640.630245 where: bonds (distance) C4'-P energy: -102.375 bonds (distance) P-C4' energy: -125.361 flat angles C4'-P-C4' energy: -137.844 flat angles P-C4'-P energy: -86.780 tors. eta vs tors. theta energy: -188.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2143.471688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.471688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.471688 (E_RNA) where: Base-Base interactions energy: -1546.495 where: short stacking energy: -631.916 Base-Backbone interact. energy: 2.256 local terms energy: -599.232761 where: bonds (distance) C4'-P energy: -106.744 bonds (distance) P-C4' energy: -99.044 flat angles C4'-P-C4' energy: -139.915 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -176.516 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: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1946.354423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.354423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.354423 (E_RNA) where: Base-Base interactions energy: -1338.692 where: short stacking energy: -549.189 Base-Backbone interact. energy: -1.718 local terms energy: -605.944298 where: bonds (distance) C4'-P energy: -112.477 bonds (distance) P-C4' energy: -113.341 flat angles C4'-P-C4' energy: -145.727 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -147.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1681.135980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.135980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.135980 (E_RNA) where: Base-Base interactions energy: -1136.244 where: short stacking energy: -485.654 Base-Backbone interact. energy: 0.166 local terms energy: -545.057438 where: bonds (distance) C4'-P energy: -90.207 bonds (distance) P-C4' energy: -108.905 flat angles C4'-P-C4' energy: -135.845 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -136.157 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: 461 Temperature: 1.350000 Total energy: -1324.773776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.773776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.773776 (E_RNA) where: Base-Base interactions energy: -847.768 where: short stacking energy: -364.563 Base-Backbone interact. energy: -2.310 local terms energy: -474.695239 where: bonds (distance) C4'-P energy: -92.114 bonds (distance) P-C4' energy: -119.882 flat angles C4'-P-C4' energy: -124.070 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -69.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2704.561676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.561676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.561676 (E_RNA) where: Base-Base interactions energy: -1917.647 where: short stacking energy: -788.355 Base-Backbone interact. energy: -2.247 local terms energy: -784.667895 where: bonds (distance) C4'-P energy: -138.857 bonds (distance) P-C4' energy: -127.115 flat angles C4'-P-C4' energy: -162.119 flat angles P-C4'-P energy: -113.345 tors. eta vs tors. theta energy: -243.231 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: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2635.278391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.278391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.278391 (E_RNA) where: Base-Base interactions energy: -1864.832 where: short stacking energy: -755.434 Base-Backbone interact. energy: -0.007 local terms energy: -770.439763 where: bonds (distance) C4'-P energy: -134.778 bonds (distance) P-C4' energy: -139.160 flat angles C4'-P-C4' energy: -149.641 flat angles P-C4'-P energy: -114.750 tors. eta vs tors. theta energy: -232.111 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: 3, replica: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2518.802097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.802097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.802097 (E_RNA) where: Base-Base interactions energy: -1781.128 where: short stacking energy: -740.827 Base-Backbone interact. energy: 1.431 local terms energy: -739.104931 where: bonds (distance) C4'-P energy: -127.045 bonds (distance) P-C4' energy: -123.237 flat angles C4'-P-C4' energy: -151.099 flat angles P-C4'-P energy: -107.228 tors. eta vs tors. theta energy: -230.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2482.868901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.868901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.868901 (E_RNA) where: Base-Base interactions energy: -1765.496 where: short stacking energy: -715.599 Base-Backbone interact. energy: -4.393 local terms energy: -712.979365 where: bonds (distance) C4'-P energy: -127.045 bonds (distance) P-C4' energy: -128.987 flat angles C4'-P-C4' energy: -131.610 flat angles P-C4'-P energy: -110.841 tors. eta vs tors. theta energy: -214.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2283.909485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.909485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.909485 (E_RNA) where: Base-Base interactions energy: -1597.875 where: short stacking energy: -662.350 Base-Backbone interact. energy: 0.784 local terms energy: -686.818626 where: bonds (distance) C4'-P energy: -114.983 bonds (distance) P-C4' energy: -127.203 flat angles C4'-P-C4' energy: -147.324 flat angles P-C4'-P energy: -95.604 tors. eta vs tors. theta energy: -201.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2268.279210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.279210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.279210 (E_RNA) where: Base-Base interactions energy: -1601.220 where: short stacking energy: -652.320 Base-Backbone interact. energy: -0.478 local terms energy: -666.580924 where: bonds (distance) C4'-P energy: -120.135 bonds (distance) P-C4' energy: -130.316 flat angles C4'-P-C4' energy: -132.741 flat angles P-C4'-P energy: -93.033 tors. eta vs tors. theta energy: -190.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2136.521085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.521085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.521085 (E_RNA) where: Base-Base interactions energy: -1499.712 where: short stacking energy: -603.612 Base-Backbone interact. energy: -3.085 local terms energy: -633.723448 where: bonds (distance) C4'-P energy: -108.134 bonds (distance) P-C4' energy: -115.260 flat angles C4'-P-C4' energy: -142.228 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -174.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2033.510459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.510459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.510459 (E_RNA) where: Base-Base interactions energy: -1436.008 where: short stacking energy: -576.385 Base-Backbone interact. energy: -0.254 local terms energy: -597.247676 where: bonds (distance) C4'-P energy: -99.683 bonds (distance) P-C4' energy: -112.190 flat angles C4'-P-C4' energy: -134.332 flat angles P-C4'-P energy: -83.414 tors. eta vs tors. theta energy: -167.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1689.127144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.127144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.127144 (E_RNA) where: Base-Base interactions energy: -1153.210 where: short stacking energy: -470.453 Base-Backbone interact. energy: 0.900 local terms energy: -536.817821 where: bonds (distance) C4'-P energy: -112.986 bonds (distance) P-C4' energy: -101.674 flat angles C4'-P-C4' energy: -123.225 flat angles P-C4'-P energy: -79.546 tors. eta vs tors. theta energy: -119.387 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: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1304.800587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.800587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.800587 (E_RNA) where: Base-Base interactions energy: -851.729 where: short stacking energy: -408.336 Base-Backbone interact. energy: -0.411 local terms energy: -452.660365 where: bonds (distance) C4'-P energy: -94.677 bonds (distance) P-C4' energy: -99.666 flat angles C4'-P-C4' energy: -112.654 flat angles P-C4'-P energy: -53.791 tors. eta vs tors. theta energy: -91.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2696.372736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.372736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.372736 (E_RNA) where: Base-Base interactions energy: -1898.193 where: short stacking energy: -802.464 Base-Backbone interact. energy: -2.503 local terms energy: -795.677020 where: bonds (distance) C4'-P energy: -141.742 bonds (distance) P-C4' energy: -134.915 flat angles C4'-P-C4' energy: -155.254 flat angles P-C4'-P energy: -121.831 tors. eta vs tors. theta energy: -241.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2643.363775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.363775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.363775 (E_RNA) where: Base-Base interactions energy: -1880.405 where: short stacking energy: -778.041 Base-Backbone interact. energy: 0.095 local terms energy: -763.053408 where: bonds (distance) C4'-P energy: -132.047 bonds (distance) P-C4' energy: -134.024 flat angles C4'-P-C4' energy: -161.674 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -236.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2504.411038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.411038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.411038 (E_RNA) where: Base-Base interactions energy: -1770.327 where: short stacking energy: -751.195 Base-Backbone interact. energy: -1.647 local terms energy: -732.436606 where: bonds (distance) C4'-P energy: -117.149 bonds (distance) P-C4' energy: -134.039 flat angles C4'-P-C4' energy: -149.469 flat angles P-C4'-P energy: -104.514 tors. eta vs tors. theta energy: -227.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2474.841040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.841040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.841040 (E_RNA) where: Base-Base interactions energy: -1776.980 where: short stacking energy: -730.661 Base-Backbone interact. energy: -3.267 local terms energy: -694.594229 where: bonds (distance) C4'-P energy: -109.099 bonds (distance) P-C4' energy: -124.614 flat angles C4'-P-C4' energy: -150.019 flat angles P-C4'-P energy: -100.204 tors. eta vs tors. theta energy: -210.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2306.033876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.033876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.033876 (E_RNA) where: Base-Base interactions energy: -1647.208 where: short stacking energy: -667.950 Base-Backbone interact. energy: -0.957 local terms energy: -657.868841 where: bonds (distance) C4'-P energy: -108.242 bonds (distance) P-C4' energy: -124.970 flat angles C4'-P-C4' energy: -146.001 flat angles P-C4'-P energy: -91.042 tors. eta vs tors. theta energy: -187.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2302.265577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.265577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.265577 (E_RNA) where: Base-Base interactions energy: -1638.262 where: short stacking energy: -663.282 Base-Backbone interact. energy: -0.338 local terms energy: -663.665593 where: bonds (distance) C4'-P energy: -114.620 bonds (distance) P-C4' energy: -125.850 flat angles C4'-P-C4' energy: -148.240 flat angles P-C4'-P energy: -79.058 tors. eta vs tors. theta energy: -195.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2167.232673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.232673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.232673 (E_RNA) where: Base-Base interactions energy: -1559.251 where: short stacking energy: -608.019 Base-Backbone interact. energy: -2.529 local terms energy: -605.452899 where: bonds (distance) C4'-P energy: -112.821 bonds (distance) P-C4' energy: -122.071 flat angles C4'-P-C4' energy: -128.365 flat angles P-C4'-P energy: -67.906 tors. eta vs tors. theta energy: -174.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -2049.150745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.150745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.150745 (E_RNA) where: Base-Base interactions energy: -1449.359 where: short stacking energy: -617.488 Base-Backbone interact. energy: -0.887 local terms energy: -598.905397 where: bonds (distance) C4'-P energy: -102.356 bonds (distance) P-C4' energy: -118.309 flat angles C4'-P-C4' energy: -116.674 flat angles P-C4'-P energy: -85.460 tors. eta vs tors. theta energy: -176.108 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: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1703.332627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.332627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.332627 (E_RNA) where: Base-Base interactions energy: -1173.119 where: short stacking energy: -486.541 Base-Backbone interact. energy: -0.180 local terms energy: -530.033760 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -106.444 flat angles C4'-P-C4' energy: -127.044 flat angles P-C4'-P energy: -77.246 tors. eta vs tors. theta energy: -108.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1249.551826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.551826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.551826 (E_RNA) where: Base-Base interactions energy: -822.779 where: short stacking energy: -369.469 Base-Backbone interact. energy: 0.148 local terms energy: -426.921575 where: bonds (distance) C4'-P energy: -105.293 bonds (distance) P-C4' energy: -92.179 flat angles C4'-P-C4' energy: -109.350 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: -72.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2710.303317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.303317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.303317 (E_RNA) where: Base-Base interactions energy: -1918.172 where: short stacking energy: -790.921 Base-Backbone interact. energy: -1.921 local terms energy: -790.209637 where: bonds (distance) C4'-P energy: -134.336 bonds (distance) P-C4' energy: -143.627 flat angles C4'-P-C4' energy: -155.559 flat angles P-C4'-P energy: -116.588 tors. eta vs tors. theta energy: -240.099 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: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2636.976671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.976671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.976671 (E_RNA) where: Base-Base interactions energy: -1874.735 where: short stacking energy: -773.699 Base-Backbone interact. energy: 1.390 local terms energy: -763.631987 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -146.624 flat angles C4'-P-C4' energy: -155.372 flat angles P-C4'-P energy: -107.588 tors. eta vs tors. theta energy: -230.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2550.588785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.588785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.588785 (E_RNA) where: Base-Base interactions energy: -1795.107 where: short stacking energy: -751.373 Base-Backbone interact. energy: -0.242 local terms energy: -755.240330 where: bonds (distance) C4'-P energy: -116.272 bonds (distance) P-C4' energy: -124.110 flat angles C4'-P-C4' energy: -162.209 flat angles P-C4'-P energy: -116.248 tors. eta vs tors. theta energy: -236.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2443.569653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.569653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.569653 (E_RNA) where: Base-Base interactions energy: -1745.411 where: short stacking energy: -716.021 Base-Backbone interact. energy: -5.546 local terms energy: -692.612267 where: bonds (distance) C4'-P energy: -116.016 bonds (distance) P-C4' energy: -117.380 flat angles C4'-P-C4' energy: -159.232 flat angles P-C4'-P energy: -95.424 tors. eta vs tors. theta energy: -204.561 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: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2321.840553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.840553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.840553 (E_RNA) where: Base-Base interactions energy: -1636.475 where: short stacking energy: -653.341 Base-Backbone interact. energy: -1.009 local terms energy: -684.356115 where: bonds (distance) C4'-P energy: -131.199 bonds (distance) P-C4' energy: -126.205 flat angles C4'-P-C4' energy: -148.754 flat angles P-C4'-P energy: -78.355 tors. eta vs tors. theta energy: -199.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2271.710841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.710841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.710841 (E_RNA) where: Base-Base interactions energy: -1607.480 where: short stacking energy: -654.795 Base-Backbone interact. energy: -1.768 local terms energy: -662.462842 where: bonds (distance) C4'-P energy: -116.014 bonds (distance) P-C4' energy: -120.991 flat angles C4'-P-C4' energy: -134.915 flat angles P-C4'-P energy: -99.720 tors. eta vs tors. theta energy: -190.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2156.570777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.570777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.570777 (E_RNA) where: Base-Base interactions energy: -1528.336 where: short stacking energy: -602.562 Base-Backbone interact. energy: 0.021 local terms energy: -628.254949 where: bonds (distance) C4'-P energy: -107.217 bonds (distance) P-C4' energy: -112.068 flat angles C4'-P-C4' energy: -133.618 flat angles P-C4'-P energy: -91.814 tors. eta vs tors. theta energy: -183.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1985.851220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.851220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.851220 (E_RNA) where: Base-Base interactions energy: -1413.427 where: short stacking energy: -559.801 Base-Backbone interact. energy: -1.888 local terms energy: -570.536710 where: bonds (distance) C4'-P energy: -99.622 bonds (distance) P-C4' energy: -102.894 flat angles C4'-P-C4' energy: -126.400 flat angles P-C4'-P energy: -79.308 tors. eta vs tors. theta energy: -162.313 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: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1690.545245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.545245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.545245 (E_RNA) where: Base-Base interactions energy: -1162.970 where: short stacking energy: -468.526 Base-Backbone interact. energy: -1.560 local terms energy: -526.015633 where: bonds (distance) C4'-P energy: -103.272 bonds (distance) P-C4' energy: -125.707 flat angles C4'-P-C4' energy: -113.127 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -128.904 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: 464 Temperature: 1.350000 Total energy: -1316.481313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.481313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.481313 (E_RNA) where: Base-Base interactions energy: -884.005 where: short stacking energy: -392.978 Base-Backbone interact. energy: 2.259 local terms energy: -434.735173 where: bonds (distance) C4'-P energy: -125.450 bonds (distance) P-C4' energy: -77.410 flat angles C4'-P-C4' energy: -105.738 flat angles P-C4'-P energy: -58.081 tors. eta vs tors. theta energy: -68.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2693.661222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.661222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.661222 (E_RNA) where: Base-Base interactions energy: -1903.775 where: short stacking energy: -777.008 Base-Backbone interact. energy: -4.285 local terms energy: -785.601852 where: bonds (distance) C4'-P energy: -129.031 bonds (distance) P-C4' energy: -135.559 flat angles C4'-P-C4' energy: -154.295 flat angles P-C4'-P energy: -116.921 tors. eta vs tors. theta energy: -249.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2606.577169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.577169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.577169 (E_RNA) where: Base-Base interactions energy: -1832.650 where: short stacking energy: -770.806 Base-Backbone interact. energy: 0.058 local terms energy: -773.985621 where: bonds (distance) C4'-P energy: -134.781 bonds (distance) P-C4' energy: -129.775 flat angles C4'-P-C4' energy: -162.638 flat angles P-C4'-P energy: -106.754 tors. eta vs tors. theta energy: -240.039 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: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2591.472019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.472019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.472019 (E_RNA) where: Base-Base interactions energy: -1844.846 where: short stacking energy: -745.373 Base-Backbone interact. energy: 5.116 local terms energy: -751.741865 where: bonds (distance) C4'-P energy: -131.992 bonds (distance) P-C4' energy: -133.017 flat angles C4'-P-C4' energy: -147.412 flat angles P-C4'-P energy: -107.487 tors. eta vs tors. theta energy: -231.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2459.038658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.038658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.038658 (E_RNA) where: Base-Base interactions energy: -1755.445 where: short stacking energy: -713.505 Base-Backbone interact. energy: -2.086 local terms energy: -701.508176 where: bonds (distance) C4'-P energy: -105.058 bonds (distance) P-C4' energy: -131.736 flat angles C4'-P-C4' energy: -158.655 flat angles P-C4'-P energy: -85.646 tors. eta vs tors. theta energy: -220.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2350.251179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.251179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.251179 (E_RNA) where: Base-Base interactions energy: -1652.350 where: short stacking energy: -675.866 Base-Backbone interact. energy: -2.051 local terms energy: -695.850126 where: bonds (distance) C4'-P energy: -117.166 bonds (distance) P-C4' energy: -115.261 flat angles C4'-P-C4' energy: -157.877 flat angles P-C4'-P energy: -102.233 tors. eta vs tors. theta energy: -203.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2262.809374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.809374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.809374 (E_RNA) where: Base-Base interactions energy: -1615.103 where: short stacking energy: -639.485 Base-Backbone interact. energy: -0.861 local terms energy: -646.845309 where: bonds (distance) C4'-P energy: -110.464 bonds (distance) P-C4' energy: -117.349 flat angles C4'-P-C4' energy: -143.066 flat angles P-C4'-P energy: -92.049 tors. eta vs tors. theta energy: -183.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2191.512458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.512458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.512458 (E_RNA) where: Base-Base interactions energy: -1594.309 where: short stacking energy: -649.207 Base-Backbone interact. energy: -1.735 local terms energy: -595.469123 where: bonds (distance) C4'-P energy: -88.878 bonds (distance) P-C4' energy: -109.636 flat angles C4'-P-C4' energy: -137.983 flat angles P-C4'-P energy: -77.669 tors. eta vs tors. theta energy: -181.303 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: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1977.293982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.293982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.293982 (E_RNA) where: Base-Base interactions energy: -1396.154 where: short stacking energy: -588.180 Base-Backbone interact. energy: -1.629 local terms energy: -579.511323 where: bonds (distance) C4'-P energy: -110.738 bonds (distance) P-C4' energy: -93.087 flat angles C4'-P-C4' energy: -125.728 flat angles P-C4'-P energy: -80.885 tors. eta vs tors. theta energy: -169.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1762.857498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.857498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.857498 (E_RNA) where: Base-Base interactions energy: -1220.931 where: short stacking energy: -512.239 Base-Backbone interact. energy: -0.846 local terms energy: -541.080227 where: bonds (distance) C4'-P energy: -101.329 bonds (distance) P-C4' energy: -113.370 flat angles C4'-P-C4' energy: -137.240 flat angles P-C4'-P energy: -65.487 tors. eta vs tors. theta energy: -123.654 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: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1338.144292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.144292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.144292 (E_RNA) where: Base-Base interactions energy: -871.032 where: short stacking energy: -382.146 Base-Backbone interact. energy: 2.430 local terms energy: -469.541938 where: bonds (distance) C4'-P energy: -108.396 bonds (distance) P-C4' energy: -110.817 flat angles C4'-P-C4' energy: -127.704 flat angles P-C4'-P energy: -53.523 tors. eta vs tors. theta energy: -69.102 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: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2689.331905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.331905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.331905 (E_RNA) where: Base-Base interactions energy: -1901.760 where: short stacking energy: -789.893 Base-Backbone interact. energy: -0.520 local terms energy: -787.051611 where: bonds (distance) C4'-P energy: -131.386 bonds (distance) P-C4' energy: -135.237 flat angles C4'-P-C4' energy: -160.649 flat angles P-C4'-P energy: -115.142 tors. eta vs tors. theta energy: -244.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2599.939814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.939814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.939814 (E_RNA) where: Base-Base interactions energy: -1815.731 where: short stacking energy: -771.059 Base-Backbone interact. energy: -3.698 local terms energy: -780.511299 where: bonds (distance) C4'-P energy: -139.561 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -164.725 flat angles P-C4'-P energy: -113.511 tors. eta vs tors. theta energy: -237.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2600.985280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.985280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.985280 (E_RNA) where: Base-Base interactions energy: -1854.301 where: short stacking energy: -747.524 Base-Backbone interact. energy: 0.627 local terms energy: -747.311086 where: bonds (distance) C4'-P energy: -128.889 bonds (distance) P-C4' energy: -132.393 flat angles C4'-P-C4' energy: -140.415 flat angles P-C4'-P energy: -113.651 tors. eta vs tors. theta energy: -231.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2487.895519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.895519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.895519 (E_RNA) where: Base-Base interactions energy: -1756.553 where: short stacking energy: -729.328 Base-Backbone interact. energy: -1.105 local terms energy: -730.236826 where: bonds (distance) C4'-P energy: -136.032 bonds (distance) P-C4' energy: -124.667 flat angles C4'-P-C4' energy: -139.522 flat angles P-C4'-P energy: -107.603 tors. eta vs tors. theta energy: -222.412 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: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2364.287646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.287646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.287646 (E_RNA) where: Base-Base interactions energy: -1645.223 where: short stacking energy: -667.749 Base-Backbone interact. energy: -1.695 local terms energy: -717.369545 where: bonds (distance) C4'-P energy: -112.716 bonds (distance) P-C4' energy: -143.761 flat angles C4'-P-C4' energy: -156.162 flat angles P-C4'-P energy: -97.945 tors. eta vs tors. theta energy: -206.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2283.003040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.003040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.003040 (E_RNA) where: Base-Base interactions energy: -1596.121 where: short stacking energy: -653.591 Base-Backbone interact. energy: -3.218 local terms energy: -683.664091 where: bonds (distance) C4'-P energy: -121.097 bonds (distance) P-C4' energy: -128.111 flat angles C4'-P-C4' energy: -137.197 flat angles P-C4'-P energy: -94.242 tors. eta vs tors. theta energy: -203.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2191.275006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.275006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.275006 (E_RNA) where: Base-Base interactions energy: -1548.466 where: short stacking energy: -607.459 Base-Backbone interact. energy: -1.458 local terms energy: -641.350991 where: bonds (distance) C4'-P energy: -109.634 bonds (distance) P-C4' energy: -125.680 flat angles C4'-P-C4' energy: -134.051 flat angles P-C4'-P energy: -96.359 tors. eta vs tors. theta energy: -175.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1954.582928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.582928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.582928 (E_RNA) where: Base-Base interactions energy: -1376.472 where: short stacking energy: -556.414 Base-Backbone interact. energy: 1.648 local terms energy: -579.759043 where: bonds (distance) C4'-P energy: -90.776 bonds (distance) P-C4' energy: -112.058 flat angles C4'-P-C4' energy: -126.975 flat angles P-C4'-P energy: -86.573 tors. eta vs tors. theta energy: -163.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1842.592177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.592177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.592177 (E_RNA) where: Base-Base interactions energy: -1306.547 where: short stacking energy: -552.232 Base-Backbone interact. energy: -1.030 local terms energy: -535.014863 where: bonds (distance) C4'-P energy: -97.700 bonds (distance) P-C4' energy: -92.570 flat angles C4'-P-C4' energy: -119.464 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -146.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1330.608838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.608838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.608838 (E_RNA) where: Base-Base interactions energy: -887.119 where: short stacking energy: -387.331 Base-Backbone interact. energy: 1.827 local terms energy: -445.316676 where: bonds (distance) C4'-P energy: -75.932 bonds (distance) P-C4' energy: -108.156 flat angles C4'-P-C4' energy: -114.309 flat angles P-C4'-P energy: -75.652 tors. eta vs tors. theta energy: -71.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2713.274025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.274025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.274025 (E_RNA) where: Base-Base interactions energy: -1934.586 where: short stacking energy: -798.554 Base-Backbone interact. energy: -0.028 local terms energy: -778.660172 where: bonds (distance) C4'-P energy: -130.215 bonds (distance) P-C4' energy: -142.526 flat angles C4'-P-C4' energy: -162.583 flat angles P-C4'-P energy: -104.873 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: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2659.414579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.414579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.414579 (E_RNA) where: Base-Base interactions energy: -1881.126 where: short stacking energy: -758.471 Base-Backbone interact. energy: -1.581 local terms energy: -776.708272 where: bonds (distance) C4'-P energy: -123.278 bonds (distance) P-C4' energy: -143.804 flat angles C4'-P-C4' energy: -163.149 flat angles P-C4'-P energy: -114.374 tors. eta vs tors. theta energy: -232.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2561.803303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.803303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.803303 (E_RNA) where: Base-Base interactions energy: -1786.306 where: short stacking energy: -748.932 Base-Backbone interact. energy: -0.385 local terms energy: -775.112153 where: bonds (distance) C4'-P energy: -133.803 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -160.663 flat angles P-C4'-P energy: -114.390 tors. eta vs tors. theta energy: -237.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2499.251546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.251546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.251546 (E_RNA) where: Base-Base interactions energy: -1794.516 where: short stacking energy: -725.973 Base-Backbone interact. energy: -1.578 local terms energy: -703.156767 where: bonds (distance) C4'-P energy: -124.812 bonds (distance) P-C4' energy: -113.366 flat angles C4'-P-C4' energy: -140.186 flat angles P-C4'-P energy: -100.474 tors. eta vs tors. theta energy: -224.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2399.402924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.402924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.402924 (E_RNA) where: Base-Base interactions energy: -1715.440 where: short stacking energy: -707.898 Base-Backbone interact. energy: -2.667 local terms energy: -681.296002 where: bonds (distance) C4'-P energy: -92.478 bonds (distance) P-C4' energy: -130.587 flat angles C4'-P-C4' energy: -148.680 flat angles P-C4'-P energy: -90.339 tors. eta vs tors. theta energy: -219.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2281.456885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.456885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.456885 (E_RNA) where: Base-Base interactions energy: -1632.414 where: short stacking energy: -649.092 Base-Backbone interact. energy: -0.716 local terms energy: -648.326911 where: bonds (distance) C4'-P energy: -123.825 bonds (distance) P-C4' energy: -99.984 flat angles C4'-P-C4' energy: -132.006 flat angles P-C4'-P energy: -97.869 tors. eta vs tors. theta energy: -194.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2173.856320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.856320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.856320 (E_RNA) where: Base-Base interactions energy: -1546.220 where: short stacking energy: -617.858 Base-Backbone interact. energy: 7.561 local terms energy: -635.197468 where: bonds (distance) C4'-P energy: -112.076 bonds (distance) P-C4' energy: -109.450 flat angles C4'-P-C4' energy: -136.790 flat angles P-C4'-P energy: -89.905 tors. eta vs tors. theta energy: -186.976 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: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1912.488129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.488129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.488129 (E_RNA) where: Base-Base interactions energy: -1358.223 where: short stacking energy: -522.184 Base-Backbone interact. energy: -2.919 local terms energy: -551.345847 where: bonds (distance) C4'-P energy: -101.101 bonds (distance) P-C4' energy: -98.812 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -83.939 tors. eta vs tors. theta energy: -152.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1861.427804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.427804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.427804 (E_RNA) where: Base-Base interactions energy: -1307.825 where: short stacking energy: -541.122 Base-Backbone interact. energy: -4.732 local terms energy: -548.870852 where: bonds (distance) C4'-P energy: -85.287 bonds (distance) P-C4' energy: -97.205 flat angles C4'-P-C4' energy: -137.540 flat angles P-C4'-P energy: -81.189 tors. eta vs tors. theta energy: -147.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1295.360191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.360191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.360191 (E_RNA) where: Base-Base interactions energy: -870.332 where: short stacking energy: -363.265 Base-Backbone interact. energy: -4.510 local terms energy: -420.518077 where: bonds (distance) C4'-P energy: -74.688 bonds (distance) P-C4' energy: -121.011 flat angles C4'-P-C4' energy: -97.726 flat angles P-C4'-P energy: -56.547 tors. eta vs tors. theta energy: -70.546 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: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2730.763011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.763011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.763011 (E_RNA) where: Base-Base interactions energy: -1937.319 where: short stacking energy: -794.824 Base-Backbone interact. energy: -2.465 local terms energy: -790.979361 where: bonds (distance) C4'-P energy: -144.045 bonds (distance) P-C4' energy: -129.066 flat angles C4'-P-C4' energy: -170.049 flat angles P-C4'-P energy: -106.150 tors. eta vs tors. theta energy: -241.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2632.902610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.902610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.902610 (E_RNA) where: Base-Base interactions energy: -1879.027 where: short stacking energy: -769.759 Base-Backbone interact. energy: 0.455 local terms energy: -754.331082 where: bonds (distance) C4'-P energy: -131.588 bonds (distance) P-C4' energy: -138.522 flat angles C4'-P-C4' energy: -154.027 flat angles P-C4'-P energy: -99.136 tors. eta vs tors. theta energy: -231.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2568.064113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.064113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.064113 (E_RNA) where: Base-Base interactions energy: -1807.619 where: short stacking energy: -777.273 Base-Backbone interact. energy: -0.857 local terms energy: -759.588686 where: bonds (distance) C4'-P energy: -127.775 bonds (distance) P-C4' energy: -129.903 flat angles C4'-P-C4' energy: -153.767 flat angles P-C4'-P energy: -108.445 tors. eta vs tors. theta energy: -239.699 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: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2486.068511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.068511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.068511 (E_RNA) where: Base-Base interactions energy: -1775.512 where: short stacking energy: -728.232 Base-Backbone interact. energy: -4.140 local terms energy: -706.415654 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -128.862 flat angles C4'-P-C4' energy: -143.618 flat angles P-C4'-P energy: -93.527 tors. eta vs tors. theta energy: -219.613 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: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2344.403659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.403659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.403659 (E_RNA) where: Base-Base interactions energy: -1681.103 where: short stacking energy: -700.522 Base-Backbone interact. energy: -2.649 local terms energy: -660.651532 where: bonds (distance) C4'-P energy: -123.491 bonds (distance) P-C4' energy: -108.159 flat angles C4'-P-C4' energy: -141.559 flat angles P-C4'-P energy: -94.414 tors. eta vs tors. theta energy: -193.029 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: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2282.353027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.353027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.353027 (E_RNA) where: Base-Base interactions energy: -1596.442 where: short stacking energy: -647.546 Base-Backbone interact. energy: -0.708 local terms energy: -685.202722 where: bonds (distance) C4'-P energy: -111.369 bonds (distance) P-C4' energy: -130.162 flat angles C4'-P-C4' energy: -141.606 flat angles P-C4'-P energy: -99.885 tors. eta vs tors. theta energy: -202.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2138.718449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.718449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.718449 (E_RNA) where: Base-Base interactions energy: -1538.211 where: short stacking energy: -622.960 Base-Backbone interact. energy: -0.438 local terms energy: -600.069437 where: bonds (distance) C4'-P energy: -102.627 bonds (distance) P-C4' energy: -112.973 flat angles C4'-P-C4' energy: -127.170 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -170.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1890.634327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.634327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.634327 (E_RNA) where: Base-Base interactions energy: -1312.056 where: short stacking energy: -518.543 Base-Backbone interact. energy: -1.024 local terms energy: -577.554753 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -119.480 flat angles C4'-P-C4' energy: -116.872 flat angles P-C4'-P energy: -77.012 tors. eta vs tors. theta energy: -142.522 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: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1836.907942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.907942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.907942 (E_RNA) where: Base-Base interactions energy: -1290.558 where: short stacking energy: -535.887 Base-Backbone interact. energy: 2.161 local terms energy: -548.511446 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -92.445 flat angles C4'-P-C4' energy: -134.399 flat angles P-C4'-P energy: -77.559 tors. eta vs tors. theta energy: -155.983 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: 468 Temperature: 1.350000 Total energy: -1285.877391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.877391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.877391 (E_RNA) where: Base-Base interactions energy: -835.295 where: short stacking energy: -360.443 Base-Backbone interact. energy: 6.343 local terms energy: -456.924878 where: bonds (distance) C4'-P energy: -93.121 bonds (distance) P-C4' energy: -115.601 flat angles C4'-P-C4' energy: -109.064 flat angles P-C4'-P energy: -67.914 tors. eta vs tors. theta energy: -71.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2702.539616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.539616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.539616 (E_RNA) where: Base-Base interactions energy: -1918.517 where: short stacking energy: -777.827 Base-Backbone interact. energy: 0.585 local terms energy: -784.607904 where: bonds (distance) C4'-P energy: -128.692 bonds (distance) P-C4' energy: -144.969 flat angles C4'-P-C4' energy: -166.230 flat angles P-C4'-P energy: -105.574 tors. eta vs tors. theta energy: -239.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2619.302629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.302629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.302629 (E_RNA) where: Base-Base interactions energy: -1877.503 where: short stacking energy: -759.533 Base-Backbone interact. energy: -1.437 local terms energy: -740.362152 where: bonds (distance) C4'-P energy: -125.493 bonds (distance) P-C4' energy: -127.239 flat angles C4'-P-C4' energy: -148.383 flat angles P-C4'-P energy: -106.816 tors. eta vs tors. theta energy: -232.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2563.955878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.955878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.955878 (E_RNA) where: Base-Base interactions energy: -1809.319 where: short stacking energy: -760.896 Base-Backbone interact. energy: -3.497 local terms energy: -751.139067 where: bonds (distance) C4'-P energy: -115.915 bonds (distance) P-C4' energy: -137.796 flat angles C4'-P-C4' energy: -157.150 flat angles P-C4'-P energy: -110.316 tors. eta vs tors. theta energy: -229.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2460.864310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.864310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.864310 (E_RNA) where: Base-Base interactions energy: -1755.898 where: short stacking energy: -718.126 Base-Backbone interact. energy: -1.487 local terms energy: -703.478686 where: bonds (distance) C4'-P energy: -108.453 bonds (distance) P-C4' energy: -124.005 flat angles C4'-P-C4' energy: -148.202 flat angles P-C4'-P energy: -106.165 tors. eta vs tors. theta energy: -216.653 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: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2369.852664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.852664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.852664 (E_RNA) where: Base-Base interactions energy: -1679.253 where: short stacking energy: -680.649 Base-Backbone interact. energy: -0.505 local terms energy: -690.094789 where: bonds (distance) C4'-P energy: -111.748 bonds (distance) P-C4' energy: -120.676 flat angles C4'-P-C4' energy: -140.412 flat angles P-C4'-P energy: -114.183 tors. eta vs tors. theta energy: -203.076 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: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2308.885417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.885417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.885417 (E_RNA) where: Base-Base interactions energy: -1621.685 where: short stacking energy: -641.332 Base-Backbone interact. energy: 1.604 local terms energy: -688.804126 where: bonds (distance) C4'-P energy: -129.516 bonds (distance) P-C4' energy: -123.402 flat angles C4'-P-C4' energy: -134.273 flat angles P-C4'-P energy: -103.447 tors. eta vs tors. theta energy: -198.165 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: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2158.997718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.997718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.997718 (E_RNA) where: Base-Base interactions energy: -1551.038 where: short stacking energy: -638.022 Base-Backbone interact. energy: -1.313 local terms energy: -606.646692 where: bonds (distance) C4'-P energy: -95.680 bonds (distance) P-C4' energy: -120.595 flat angles C4'-P-C4' energy: -115.193 flat angles P-C4'-P energy: -91.426 tors. eta vs tors. theta energy: -183.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1936.502089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.502089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.502089 (E_RNA) where: Base-Base interactions energy: -1352.791 where: short stacking energy: -535.502 Base-Backbone interact. energy: -0.257 local terms energy: -583.454781 where: bonds (distance) C4'-P energy: -102.986 bonds (distance) P-C4' energy: -102.835 flat angles C4'-P-C4' energy: -138.660 flat angles P-C4'-P energy: -76.172 tors. eta vs tors. theta energy: -162.802 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: 9, replica: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1809.508099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.508099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.508099 (E_RNA) where: Base-Base interactions energy: -1258.787 where: short stacking energy: -518.106 Base-Backbone interact. energy: -0.649 local terms energy: -550.072284 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -117.319 flat angles C4'-P-C4' energy: -117.579 flat angles P-C4'-P energy: -70.114 tors. eta vs tors. theta energy: -143.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1246.189837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.189837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.189837 (E_RNA) where: Base-Base interactions energy: -811.115 where: short stacking energy: -350.592 Base-Backbone interact. energy: -0.209 local terms energy: -434.865780 where: bonds (distance) C4'-P energy: -101.980 bonds (distance) P-C4' energy: -111.124 flat angles C4'-P-C4' energy: -99.404 flat angles P-C4'-P energy: -62.251 tors. eta vs tors. theta energy: -60.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2689.484470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.484470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.484470 (E_RNA) where: Base-Base interactions energy: -1911.454 where: short stacking energy: -783.909 Base-Backbone interact. energy: -1.307 local terms energy: -776.723172 where: bonds (distance) C4'-P energy: -135.803 bonds (distance) P-C4' energy: -139.820 flat angles C4'-P-C4' energy: -162.380 flat angles P-C4'-P energy: -105.700 tors. eta vs tors. theta energy: -233.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2620.197428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.197428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.197428 (E_RNA) where: Base-Base interactions energy: -1868.150 where: short stacking energy: -744.635 Base-Backbone interact. energy: 2.006 local terms energy: -754.053621 where: bonds (distance) C4'-P energy: -142.215 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -156.383 flat angles P-C4'-P energy: -102.177 tors. eta vs tors. theta energy: -234.785 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: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2547.117666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.117666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.117666 (E_RNA) where: Base-Base interactions energy: -1787.744 where: short stacking energy: -759.271 Base-Backbone interact. energy: 0.701 local terms energy: -760.075085 where: bonds (distance) C4'-P energy: -124.188 bonds (distance) P-C4' energy: -132.207 flat angles C4'-P-C4' energy: -148.375 flat angles P-C4'-P energy: -120.199 tors. eta vs tors. theta energy: -235.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2427.603714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.603714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.603714 (E_RNA) where: Base-Base interactions energy: -1746.941 where: short stacking energy: -696.465 Base-Backbone interact. energy: -0.571 local terms energy: -680.092383 where: bonds (distance) C4'-P energy: -107.155 bonds (distance) P-C4' energy: -123.993 flat angles C4'-P-C4' energy: -143.234 flat angles P-C4'-P energy: -97.939 tors. eta vs tors. theta energy: -207.771 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: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2378.981667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.981667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.981667 (E_RNA) where: Base-Base interactions energy: -1704.642 where: short stacking energy: -687.091 Base-Backbone interact. energy: -2.247 local terms energy: -672.092715 where: bonds (distance) C4'-P energy: -105.951 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -152.644 flat angles P-C4'-P energy: -96.465 tors. eta vs tors. theta energy: -216.997 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: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2334.118126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.118126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.118126 (E_RNA) where: Base-Base interactions energy: -1682.440 where: short stacking energy: -665.468 Base-Backbone interact. energy: -0.382 local terms energy: -651.296594 where: bonds (distance) C4'-P energy: -107.099 bonds (distance) P-C4' energy: -105.325 flat angles C4'-P-C4' energy: -138.115 flat angles P-C4'-P energy: -99.365 tors. eta vs tors. theta energy: -201.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2141.815274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.815274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.815274 (E_RNA) where: Base-Base interactions energy: -1532.064 where: short stacking energy: -629.680 Base-Backbone interact. energy: -0.698 local terms energy: -609.053149 where: bonds (distance) C4'-P energy: -100.865 bonds (distance) P-C4' energy: -123.088 flat angles C4'-P-C4' energy: -127.612 flat angles P-C4'-P energy: -87.957 tors. eta vs tors. theta energy: -169.532 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: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1974.774943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.774943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.774943 (E_RNA) where: Base-Base interactions energy: -1383.631 where: short stacking energy: -562.548 Base-Backbone interact. energy: -0.712 local terms energy: -590.431157 where: bonds (distance) C4'-P energy: -107.388 bonds (distance) P-C4' energy: -103.324 flat angles C4'-P-C4' energy: -132.168 flat angles P-C4'-P energy: -82.609 tors. eta vs tors. theta energy: -164.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1857.070526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.070526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.070526 (E_RNA) where: Base-Base interactions energy: -1318.242 where: short stacking energy: -505.389 Base-Backbone interact. energy: -1.666 local terms energy: -537.162989 where: bonds (distance) C4'-P energy: -90.422 bonds (distance) P-C4' energy: -99.454 flat angles C4'-P-C4' energy: -123.832 flat angles P-C4'-P energy: -86.410 tors. eta vs tors. theta energy: -137.046 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: 470 Temperature: 1.350000 Total energy: -1297.851363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.851363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.851363 (E_RNA) where: Base-Base interactions energy: -860.521 where: short stacking energy: -384.151 Base-Backbone interact. energy: -1.734 local terms energy: -435.596083 where: bonds (distance) C4'-P energy: -91.777 bonds (distance) P-C4' energy: -110.014 flat angles C4'-P-C4' energy: -109.619 flat angles P-C4'-P energy: -56.443 tors. eta vs tors. theta energy: -67.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2715.296928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.296928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.296928 (E_RNA) where: Base-Base interactions energy: -1929.493 where: short stacking energy: -785.797 Base-Backbone interact. energy: -1.075 local terms energy: -784.728097 where: bonds (distance) C4'-P energy: -139.734 bonds (distance) P-C4' energy: -132.364 flat angles C4'-P-C4' energy: -160.601 flat angles P-C4'-P energy: -105.428 tors. eta vs tors. theta energy: -246.601 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: 2, replica: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2604.484577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.484577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.484577 (E_RNA) where: Base-Base interactions energy: -1836.201 where: short stacking energy: -759.519 Base-Backbone interact. energy: -1.472 local terms energy: -766.811651 where: bonds (distance) C4'-P energy: -125.914 bonds (distance) P-C4' energy: -127.871 flat angles C4'-P-C4' energy: -161.539 flat angles P-C4'-P energy: -109.507 tors. eta vs tors. theta energy: -241.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2598.780552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.780552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.780552 (E_RNA) where: Base-Base interactions energy: -1852.961 where: short stacking energy: -757.969 Base-Backbone interact. energy: -0.485 local terms energy: -745.334529 where: bonds (distance) C4'-P energy: -124.547 bonds (distance) P-C4' energy: -137.416 flat angles C4'-P-C4' energy: -163.998 flat angles P-C4'-P energy: -97.594 tors. eta vs tors. theta energy: -221.780 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2486.364057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.364057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.364057 (E_RNA) where: Base-Base interactions energy: -1777.551 where: short stacking energy: -727.910 Base-Backbone interact. energy: 2.660 local terms energy: -711.473672 where: bonds (distance) C4'-P energy: -104.675 bonds (distance) P-C4' energy: -130.533 flat angles C4'-P-C4' energy: -149.454 flat angles P-C4'-P energy: -103.786 tors. eta vs tors. theta energy: -223.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2369.141587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.141587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.141587 (E_RNA) where: Base-Base interactions energy: -1723.729 where: short stacking energy: -693.127 Base-Backbone interact. energy: -0.398 local terms energy: -645.014760 where: bonds (distance) C4'-P energy: -99.502 bonds (distance) P-C4' energy: -120.003 flat angles C4'-P-C4' energy: -142.186 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -207.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2252.982189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.982189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.982189 (E_RNA) where: Base-Base interactions energy: -1621.815 where: short stacking energy: -653.352 Base-Backbone interact. energy: -1.231 local terms energy: -629.936800 where: bonds (distance) C4'-P energy: -105.235 bonds (distance) P-C4' energy: -93.763 flat angles C4'-P-C4' energy: -141.209 flat angles P-C4'-P energy: -94.895 tors. eta vs tors. theta energy: -194.834 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: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2184.022985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.022985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.022985 (E_RNA) where: Base-Base interactions energy: -1521.321 where: short stacking energy: -612.871 Base-Backbone interact. energy: -1.168 local terms energy: -661.534247 where: bonds (distance) C4'-P energy: -112.617 bonds (distance) P-C4' energy: -124.742 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -88.543 tors. eta vs tors. theta energy: -188.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1865.763343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.763343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.763343 (E_RNA) where: Base-Base interactions energy: -1313.416 where: short stacking energy: -538.365 Base-Backbone interact. energy: -3.099 local terms energy: -549.247897 where: bonds (distance) C4'-P energy: -99.113 bonds (distance) P-C4' energy: -103.984 flat angles C4'-P-C4' energy: -126.561 flat angles P-C4'-P energy: -69.095 tors. eta vs tors. theta energy: -150.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1846.394074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.394074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.394074 (E_RNA) where: Base-Base interactions energy: -1284.468 where: short stacking energy: -532.716 Base-Backbone interact. energy: -2.092 local terms energy: -559.833584 where: bonds (distance) C4'-P energy: -109.743 bonds (distance) P-C4' energy: -108.498 flat angles C4'-P-C4' energy: -118.510 flat angles P-C4'-P energy: -73.707 tors. eta vs tors. theta energy: -149.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1312.381761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.381761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.381761 (E_RNA) where: Base-Base interactions energy: -851.429 where: short stacking energy: -361.267 Base-Backbone interact. energy: -2.569 local terms energy: -458.383499 where: bonds (distance) C4'-P energy: -92.700 bonds (distance) P-C4' energy: -110.399 flat angles C4'-P-C4' energy: -116.514 flat angles P-C4'-P energy: -68.809 tors. eta vs tors. theta energy: -69.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2686.701590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.701590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.701590 (E_RNA) where: Base-Base interactions energy: -1905.489 where: short stacking energy: -762.786 Base-Backbone interact. energy: -1.058 local terms energy: -780.154877 where: bonds (distance) C4'-P energy: -139.905 bonds (distance) P-C4' energy: -134.102 flat angles C4'-P-C4' energy: -160.982 flat angles P-C4'-P energy: -105.496 tors. eta vs tors. theta energy: -239.670 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: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2606.948310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.948310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.948310 (E_RNA) where: Base-Base interactions energy: -1833.689 where: short stacking energy: -784.232 Base-Backbone interact. energy: 0.457 local terms energy: -773.716357 where: bonds (distance) C4'-P energy: -131.098 bonds (distance) P-C4' energy: -133.875 flat angles C4'-P-C4' energy: -160.269 flat angles P-C4'-P energy: -102.147 tors. eta vs tors. theta energy: -246.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2584.811307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.811307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.811307 (E_RNA) where: Base-Base interactions energy: -1837.183 where: short stacking energy: -728.189 Base-Backbone interact. energy: -0.730 local terms energy: -746.898543 where: bonds (distance) C4'-P energy: -119.974 bonds (distance) P-C4' energy: -123.736 flat angles C4'-P-C4' energy: -164.678 flat angles P-C4'-P energy: -111.977 tors. eta vs tors. theta energy: -226.533 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: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2467.319851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.319851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.319851 (E_RNA) where: Base-Base interactions energy: -1749.982 where: short stacking energy: -715.119 Base-Backbone interact. energy: -1.493 local terms energy: -715.844379 where: bonds (distance) C4'-P energy: -120.010 bonds (distance) P-C4' energy: -126.333 flat angles C4'-P-C4' energy: -151.719 flat angles P-C4'-P energy: -93.407 tors. eta vs tors. theta energy: -224.375 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: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2332.254889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.254889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.254889 (E_RNA) where: Base-Base interactions energy: -1678.059 where: short stacking energy: -671.306 Base-Backbone interact. energy: -1.670 local terms energy: -652.525625 where: bonds (distance) C4'-P energy: -102.782 bonds (distance) P-C4' energy: -109.111 flat angles C4'-P-C4' energy: -145.900 flat angles P-C4'-P energy: -95.511 tors. eta vs tors. theta energy: -199.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2214.836390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.836390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.836390 (E_RNA) where: Base-Base interactions energy: -1539.910 where: short stacking energy: -626.468 Base-Backbone interact. energy: 0.890 local terms energy: -675.816968 where: bonds (distance) C4'-P energy: -138.099 bonds (distance) P-C4' energy: -115.488 flat angles C4'-P-C4' energy: -140.045 flat angles P-C4'-P energy: -98.728 tors. eta vs tors. theta energy: -183.457 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2171.166050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.166050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.166050 (E_RNA) where: Base-Base interactions energy: -1519.904 where: short stacking energy: -602.235 Base-Backbone interact. energy: -0.935 local terms energy: -650.327231 where: bonds (distance) C4'-P energy: -112.583 bonds (distance) P-C4' energy: -134.004 flat angles C4'-P-C4' energy: -140.203 flat angles P-C4'-P energy: -80.095 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: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -2034.960500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.960500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.960500 (E_RNA) where: Base-Base interactions energy: -1407.481 where: short stacking energy: -581.548 Base-Backbone interact. energy: -1.888 local terms energy: -625.592139 where: bonds (distance) C4'-P energy: -108.765 bonds (distance) P-C4' energy: -104.335 flat angles C4'-P-C4' energy: -132.002 flat angles P-C4'-P energy: -100.011 tors. eta vs tors. theta energy: -180.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1837.255216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.255216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.255216 (E_RNA) where: Base-Base interactions energy: -1282.286 where: short stacking energy: -544.919 Base-Backbone interact. energy: 1.304 local terms energy: -556.273661 where: bonds (distance) C4'-P energy: -105.872 bonds (distance) P-C4' energy: -101.722 flat angles C4'-P-C4' energy: -128.396 flat angles P-C4'-P energy: -65.258 tors. eta vs tors. theta energy: -155.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1279.112065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.112065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.112065 (E_RNA) where: Base-Base interactions energy: -862.506 where: short stacking energy: -385.010 Base-Backbone interact. energy: -2.129 local terms energy: -414.477248 where: bonds (distance) C4'-P energy: -73.611 bonds (distance) P-C4' energy: -113.704 flat angles C4'-P-C4' energy: -111.411 flat angles P-C4'-P energy: -55.256 tors. eta vs tors. theta energy: -60.496 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: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2705.668058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.668058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.668058 (E_RNA) where: Base-Base interactions energy: -1948.388 where: short stacking energy: -782.688 Base-Backbone interact. energy: -1.486 local terms energy: -755.794554 where: bonds (distance) C4'-P energy: -133.877 bonds (distance) P-C4' energy: -125.535 flat angles C4'-P-C4' energy: -156.919 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -235.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2619.072577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.072577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.072577 (E_RNA) where: Base-Base interactions energy: -1867.906 where: short stacking energy: -764.190 Base-Backbone interact. energy: -1.576 local terms energy: -749.590974 where: bonds (distance) C4'-P energy: -147.483 bonds (distance) P-C4' energy: -134.651 flat angles C4'-P-C4' energy: -144.925 flat angles P-C4'-P energy: -98.393 tors. eta vs tors. theta energy: -224.140 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: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2554.504350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.504350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.504350 (E_RNA) where: Base-Base interactions energy: -1811.606 where: short stacking energy: -756.826 Base-Backbone interact. energy: -0.463 local terms energy: -742.435927 where: bonds (distance) C4'-P energy: -128.523 bonds (distance) P-C4' energy: -122.844 flat angles C4'-P-C4' energy: -152.411 flat angles P-C4'-P energy: -105.556 tors. eta vs tors. theta energy: -233.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2479.171213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.171213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.171213 (E_RNA) where: Base-Base interactions energy: -1785.153 where: short stacking energy: -742.674 Base-Backbone interact. energy: -0.857 local terms energy: -693.161610 where: bonds (distance) C4'-P energy: -131.296 bonds (distance) P-C4' energy: -103.045 flat angles C4'-P-C4' energy: -149.811 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -218.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2329.567338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.567338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.567338 (E_RNA) where: Base-Base interactions energy: -1672.154 where: short stacking energy: -689.433 Base-Backbone interact. energy: -0.585 local terms energy: -656.828196 where: bonds (distance) C4'-P energy: -102.432 bonds (distance) P-C4' energy: -116.763 flat angles C4'-P-C4' energy: -142.582 flat angles P-C4'-P energy: -92.334 tors. eta vs tors. theta energy: -202.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2210.406878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.406878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.406878 (E_RNA) where: Base-Base interactions energy: -1585.692 where: short stacking energy: -646.248 Base-Backbone interact. energy: 0.025 local terms energy: -624.739408 where: bonds (distance) C4'-P energy: -114.269 bonds (distance) P-C4' energy: -109.602 flat angles C4'-P-C4' energy: -122.147 flat angles P-C4'-P energy: -80.099 tors. eta vs tors. theta energy: -198.623 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: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2127.200257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.200257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.200257 (E_RNA) where: Base-Base interactions energy: -1512.953 where: short stacking energy: -610.082 Base-Backbone interact. energy: -2.200 local terms energy: -612.046786 where: bonds (distance) C4'-P energy: -99.076 bonds (distance) P-C4' energy: -105.072 flat angles C4'-P-C4' energy: -147.441 flat angles P-C4'-P energy: -87.439 tors. eta vs tors. theta energy: -173.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1980.325025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.325025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.325025 (E_RNA) where: Base-Base interactions energy: -1376.850 where: short stacking energy: -559.574 Base-Backbone interact. energy: -1.663 local terms energy: -601.811364 where: bonds (distance) C4'-P energy: -111.820 bonds (distance) P-C4' energy: -109.381 flat angles C4'-P-C4' energy: -122.709 flat angles P-C4'-P energy: -91.609 tors. eta vs tors. theta energy: -166.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1851.370924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.370924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.370924 (E_RNA) where: Base-Base interactions energy: -1312.324 where: short stacking energy: -522.079 Base-Backbone interact. energy: 0.313 local terms energy: -539.360007 where: bonds (distance) C4'-P energy: -80.839 bonds (distance) P-C4' energy: -134.682 flat angles C4'-P-C4' energy: -105.845 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -145.674 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: 473 Temperature: 1.350000 Total energy: -1280.294304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.294304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.294304 (E_RNA) where: Base-Base interactions energy: -869.856 where: short stacking energy: -374.948 Base-Backbone interact. energy: 6.530 local terms energy: -416.967808 where: bonds (distance) C4'-P energy: -93.516 bonds (distance) P-C4' energy: -95.197 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -60.621 tors. eta vs tors. theta energy: -62.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2711.565783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.565783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.565783 (E_RNA) where: Base-Base interactions energy: -1930.251 where: short stacking energy: -783.838 Base-Backbone interact. energy: 0.271 local terms energy: -781.585585 where: bonds (distance) C4'-P energy: -134.208 bonds (distance) P-C4' energy: -139.759 flat angles C4'-P-C4' energy: -153.714 flat angles P-C4'-P energy: -108.222 tors. eta vs tors. theta energy: -245.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2612.289784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.289784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.289784 (E_RNA) where: Base-Base interactions energy: -1853.225 where: short stacking energy: -749.459 Base-Backbone interact. energy: -2.402 local terms energy: -756.662473 where: bonds (distance) C4'-P energy: -123.604 bonds (distance) P-C4' energy: -135.127 flat angles C4'-P-C4' energy: -157.550 flat angles P-C4'-P energy: -117.549 tors. eta vs tors. theta energy: -222.833 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: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2558.217428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.217428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.217428 (E_RNA) where: Base-Base interactions energy: -1801.197 where: short stacking energy: -765.653 Base-Backbone interact. energy: 0.517 local terms energy: -757.538123 where: bonds (distance) C4'-P energy: -135.334 bonds (distance) P-C4' energy: -129.385 flat angles C4'-P-C4' energy: -156.003 flat angles P-C4'-P energy: -100.496 tors. eta vs tors. theta energy: -236.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2430.079394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.079394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.079394 (E_RNA) where: Base-Base interactions energy: -1715.409 where: short stacking energy: -704.672 Base-Backbone interact. energy: -1.888 local terms energy: -712.782511 where: bonds (distance) C4'-P energy: -117.070 bonds (distance) P-C4' energy: -124.340 flat angles C4'-P-C4' energy: -147.321 flat angles P-C4'-P energy: -107.771 tors. eta vs tors. theta energy: -216.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2367.224265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.224265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.224265 (E_RNA) where: Base-Base interactions energy: -1677.599 where: short stacking energy: -696.248 Base-Backbone interact. energy: -2.092 local terms energy: -687.533293 where: bonds (distance) C4'-P energy: -92.401 bonds (distance) P-C4' energy: -123.497 flat angles C4'-P-C4' energy: -154.938 flat angles P-C4'-P energy: -102.517 tors. eta vs tors. theta energy: -214.180 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: 5 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2199.046125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.046125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.046125 (E_RNA) where: Base-Base interactions energy: -1561.430 where: short stacking energy: -641.768 Base-Backbone interact. energy: -1.023 local terms energy: -636.593972 where: bonds (distance) C4'-P energy: -118.349 bonds (distance) P-C4' energy: -108.586 flat angles C4'-P-C4' energy: -127.758 flat angles P-C4'-P energy: -86.686 tors. eta vs tors. theta energy: -195.215 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: 474 Temperature: 1.200000 Total energy: -2194.554034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.554034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.554034 (E_RNA) where: Base-Base interactions energy: -1573.814 where: short stacking energy: -636.110 Base-Backbone interact. energy: 1.153 local terms energy: -621.892269 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -103.187 flat angles C4'-P-C4' energy: -135.662 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -187.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -2086.233818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.233818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.233818 (E_RNA) where: Base-Base interactions energy: -1506.793 where: short stacking energy: -600.760 Base-Backbone interact. energy: -2.939 local terms energy: -576.502052 where: bonds (distance) C4'-P energy: -96.631 bonds (distance) P-C4' energy: -99.589 flat angles C4'-P-C4' energy: -128.283 flat angles P-C4'-P energy: -76.144 tors. eta vs tors. theta energy: -175.854 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: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1772.971861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.971861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.971861 (E_RNA) where: Base-Base interactions energy: -1207.196 where: short stacking energy: -488.845 Base-Backbone interact. energy: -1.913 local terms energy: -563.863287 where: bonds (distance) C4'-P energy: -120.165 bonds (distance) P-C4' energy: -116.209 flat angles C4'-P-C4' energy: -119.975 flat angles P-C4'-P energy: -69.377 tors. eta vs tors. theta energy: -138.138 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: 474 Temperature: 1.350000 Total energy: -1242.409110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.409110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.409110 (E_RNA) where: Base-Base interactions energy: -822.276 where: short stacking energy: -335.470 Base-Backbone interact. energy: 4.635 local terms energy: -424.768448 where: bonds (distance) C4'-P energy: -98.453 bonds (distance) P-C4' energy: -109.536 flat angles C4'-P-C4' energy: -109.619 flat angles P-C4'-P energy: -62.355 tors. eta vs tors. theta energy: -44.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2713.191216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.191216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.191216 (E_RNA) where: Base-Base interactions energy: -1926.500 where: short stacking energy: -762.975 Base-Backbone interact. energy: -0.519 local terms energy: -786.172253 where: bonds (distance) C4'-P energy: -140.756 bonds (distance) P-C4' energy: -150.239 flat angles C4'-P-C4' energy: -151.351 flat angles P-C4'-P energy: -113.089 tors. eta vs tors. theta energy: -230.737 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: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2596.559574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.559574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.559574 (E_RNA) where: Base-Base interactions energy: -1842.413 where: short stacking energy: -756.663 Base-Backbone interact. energy: -0.646 local terms energy: -753.499853 where: bonds (distance) C4'-P energy: -118.705 bonds (distance) P-C4' energy: -139.113 flat angles C4'-P-C4' energy: -141.980 flat angles P-C4'-P energy: -109.781 tors. eta vs tors. theta energy: -243.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2562.063307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.063307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.063307 (E_RNA) where: Base-Base interactions energy: -1830.199 where: short stacking energy: -744.642 Base-Backbone interact. energy: -1.866 local terms energy: -729.998738 where: bonds (distance) C4'-P energy: -115.076 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -157.212 flat angles P-C4'-P energy: -103.317 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: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2379.506127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.506127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.506127 (E_RNA) where: Base-Base interactions energy: -1698.309 where: short stacking energy: -690.335 Base-Backbone interact. energy: -2.447 local terms energy: -678.750494 where: bonds (distance) C4'-P energy: -108.606 bonds (distance) P-C4' energy: -127.363 flat angles C4'-P-C4' energy: -153.755 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -187.249 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: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2402.482010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.482010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.482010 (E_RNA) where: Base-Base interactions energy: -1735.670 where: short stacking energy: -700.445 Base-Backbone interact. energy: -1.581 local terms energy: -665.231467 where: bonds (distance) C4'-P energy: -102.418 bonds (distance) P-C4' energy: -118.006 flat angles C4'-P-C4' energy: -130.899 flat angles P-C4'-P energy: -94.930 tors. eta vs tors. theta energy: -218.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2215.030647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.030647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.030647 (E_RNA) where: Base-Base interactions energy: -1560.485 where: short stacking energy: -624.155 Base-Backbone interact. energy: -2.884 local terms energy: -651.661046 where: bonds (distance) C4'-P energy: -111.770 bonds (distance) P-C4' energy: -136.455 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -75.053 tors. eta vs tors. theta energy: -187.606 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: 7, replica: 1 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2199.131078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.131078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.131078 (E_RNA) where: Base-Base interactions energy: -1560.321 where: short stacking energy: -648.201 Base-Backbone interact. energy: -2.579 local terms energy: -636.230733 where: bonds (distance) C4'-P energy: -103.126 bonds (distance) P-C4' energy: -108.581 flat angles C4'-P-C4' energy: -144.503 flat angles P-C4'-P energy: -95.391 tors. eta vs tors. theta energy: -184.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -2114.574959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.574959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.574959 (E_RNA) where: Base-Base interactions energy: -1489.694 where: short stacking energy: -614.014 Base-Backbone interact. energy: 0.522 local terms energy: -625.403306 where: bonds (distance) C4'-P energy: -122.656 bonds (distance) P-C4' energy: -114.776 flat angles C4'-P-C4' energy: -125.320 flat angles P-C4'-P energy: -70.656 tors. eta vs tors. theta energy: -191.995 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: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1778.935797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.935797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.935797 (E_RNA) where: Base-Base interactions energy: -1255.498 where: short stacking energy: -527.582 Base-Backbone interact. energy: -1.473 local terms energy: -521.965323 where: bonds (distance) C4'-P energy: -112.815 bonds (distance) P-C4' energy: -75.968 flat angles C4'-P-C4' energy: -132.927 flat angles P-C4'-P energy: -56.356 tors. eta vs tors. theta energy: -143.900 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: 475 Temperature: 1.350000 Total energy: -1262.040759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.040759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.040759 (E_RNA) where: Base-Base interactions energy: -841.281 where: short stacking energy: -372.977 Base-Backbone interact. energy: 0.812 local terms energy: -421.571180 where: bonds (distance) C4'-P energy: -96.538 bonds (distance) P-C4' energy: -101.036 flat angles C4'-P-C4' energy: -86.784 flat angles P-C4'-P energy: -73.467 tors. eta vs tors. theta energy: -63.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2692.862011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.862011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.862011 (E_RNA) where: Base-Base interactions energy: -1932.569 where: short stacking energy: -778.098 Base-Backbone interact. energy: -1.008 local terms energy: -759.284475 where: bonds (distance) C4'-P energy: -127.462 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -161.805 flat angles P-C4'-P energy: -106.436 tors. eta vs tors. theta energy: -232.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2586.824762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.824762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.824762 (E_RNA) where: Base-Base interactions energy: -1816.651 where: short stacking energy: -758.579 Base-Backbone interact. energy: -0.437 local terms energy: -769.736919 where: bonds (distance) C4'-P energy: -126.381 bonds (distance) P-C4' energy: -138.165 flat angles C4'-P-C4' energy: -155.490 flat angles P-C4'-P energy: -109.991 tors. eta vs tors. theta energy: -239.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2547.665651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.665651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.665651 (E_RNA) where: Base-Base interactions energy: -1828.831 where: short stacking energy: -758.122 Base-Backbone interact. energy: -1.373 local terms energy: -717.461355 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -122.948 flat angles C4'-P-C4' energy: -144.270 flat angles P-C4'-P energy: -98.781 tors. eta vs tors. theta energy: -227.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2415.747491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.747491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.747491 (E_RNA) where: Base-Base interactions energy: -1691.221 where: short stacking energy: -697.681 Base-Backbone interact. energy: -1.716 local terms energy: -722.810570 where: bonds (distance) C4'-P energy: -127.513 bonds (distance) P-C4' energy: -125.486 flat angles C4'-P-C4' energy: -150.697 flat angles P-C4'-P energy: -99.370 tors. eta vs tors. theta energy: -219.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2437.437959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.437959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.437959 (E_RNA) where: Base-Base interactions energy: -1738.415 where: short stacking energy: -707.369 Base-Backbone interact. energy: -3.188 local terms energy: -695.834620 where: bonds (distance) C4'-P energy: -124.446 bonds (distance) P-C4' energy: -110.987 flat angles C4'-P-C4' energy: -140.629 flat angles P-C4'-P energy: -97.174 tors. eta vs tors. theta energy: -222.598 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: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2206.128909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.128909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.128909 (E_RNA) where: Base-Base interactions energy: -1573.886 where: short stacking energy: -645.367 Base-Backbone interact. energy: -1.782 local terms energy: -630.460585 where: bonds (distance) C4'-P energy: -103.783 bonds (distance) P-C4' energy: -116.752 flat angles C4'-P-C4' energy: -141.814 flat angles P-C4'-P energy: -79.375 tors. eta vs tors. theta energy: -188.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2164.461287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.461287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.461287 (E_RNA) where: Base-Base interactions energy: -1509.759 where: short stacking energy: -593.210 Base-Backbone interact. energy: -0.862 local terms energy: -653.840074 where: bonds (distance) C4'-P energy: -101.886 bonds (distance) P-C4' energy: -135.834 flat angles C4'-P-C4' energy: -145.583 flat angles P-C4'-P energy: -87.666 tors. eta vs tors. theta energy: -182.871 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: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -2100.856837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.856837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.856837 (E_RNA) where: Base-Base interactions energy: -1497.995 where: short stacking energy: -631.157 Base-Backbone interact. energy: 0.592 local terms energy: -603.453879 where: bonds (distance) C4'-P energy: -119.689 bonds (distance) P-C4' energy: -86.603 flat angles C4'-P-C4' energy: -134.954 flat angles P-C4'-P energy: -78.884 tors. eta vs tors. theta energy: -183.324 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: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1743.307632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.307632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.307632 (E_RNA) where: Base-Base interactions energy: -1221.488 where: short stacking energy: -516.869 Base-Backbone interact. energy: -0.336 local terms energy: -521.483565 where: bonds (distance) C4'-P energy: -90.603 bonds (distance) P-C4' energy: -96.132 flat angles C4'-P-C4' energy: -115.583 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: -135.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1259.778386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.778386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.778386 (E_RNA) where: Base-Base interactions energy: -810.370 where: short stacking energy: -366.167 Base-Backbone interact. energy: -0.601 local terms energy: -448.807186 where: bonds (distance) C4'-P energy: -94.532 bonds (distance) P-C4' energy: -111.993 flat angles C4'-P-C4' energy: -111.649 flat angles P-C4'-P energy: -56.496 tors. eta vs tors. theta energy: -74.138 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: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2733.790742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.790742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.790742 (E_RNA) where: Base-Base interactions energy: -1951.467 where: short stacking energy: -781.375 Base-Backbone interact. energy: -2.833 local terms energy: -779.490957 where: bonds (distance) C4'-P energy: -139.879 bonds (distance) P-C4' energy: -135.329 flat angles C4'-P-C4' energy: -155.501 flat angles P-C4'-P energy: -112.733 tors. eta vs tors. theta energy: -236.049 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: 477 Temperature: 0.950000 Total energy: -2607.942978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.942978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.942978 (E_RNA) where: Base-Base interactions energy: -1819.815 where: short stacking energy: -752.060 Base-Backbone interact. energy: -1.030 local terms energy: -787.097057 where: bonds (distance) C4'-P energy: -146.129 bonds (distance) P-C4' energy: -130.839 flat angles C4'-P-C4' energy: -163.427 flat angles P-C4'-P energy: -113.375 tors. eta vs tors. theta energy: -233.326 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: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2561.307589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.307589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.307589 (E_RNA) where: Base-Base interactions energy: -1835.003 where: short stacking energy: -738.497 Base-Backbone interact. energy: 1.115 local terms energy: -727.419607 where: bonds (distance) C4'-P energy: -119.786 bonds (distance) P-C4' energy: -125.675 flat angles C4'-P-C4' energy: -155.507 flat angles P-C4'-P energy: -104.652 tors. eta vs tors. theta energy: -221.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2418.570578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.570578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.570578 (E_RNA) where: Base-Base interactions energy: -1706.796 where: short stacking energy: -697.241 Base-Backbone interact. energy: 2.632 local terms energy: -714.406463 where: bonds (distance) C4'-P energy: -128.868 bonds (distance) P-C4' energy: -125.882 flat angles C4'-P-C4' energy: -140.757 flat angles P-C4'-P energy: -97.828 tors. eta vs tors. theta energy: -221.072 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: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2436.779097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.779097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.779097 (E_RNA) where: Base-Base interactions energy: -1737.910 where: short stacking energy: -712.956 Base-Backbone interact. energy: -4.190 local terms energy: -694.679572 where: bonds (distance) C4'-P energy: -110.387 bonds (distance) P-C4' energy: -131.878 flat angles C4'-P-C4' energy: -132.842 flat angles P-C4'-P energy: -101.034 tors. eta vs tors. theta energy: -218.539 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: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2212.665261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.665261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.665261 (E_RNA) where: Base-Base interactions energy: -1554.096 where: short stacking energy: -606.240 Base-Backbone interact. energy: 0.794 local terms energy: -659.363233 where: bonds (distance) C4'-P energy: -128.314 bonds (distance) P-C4' energy: -118.954 flat angles C4'-P-C4' energy: -138.981 flat angles P-C4'-P energy: -90.466 tors. eta vs tors. theta energy: -182.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2201.377314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.377314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.377314 (E_RNA) where: Base-Base interactions energy: -1549.653 where: short stacking energy: -620.028 Base-Backbone interact. energy: -2.508 local terms energy: -649.216225 where: bonds (distance) C4'-P energy: -116.739 bonds (distance) P-C4' energy: -116.750 flat angles C4'-P-C4' energy: -146.090 flat angles P-C4'-P energy: -100.033 tors. eta vs tors. theta energy: -169.605 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: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -2016.309828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.309828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.309828 (E_RNA) where: Base-Base interactions energy: -1420.227 where: short stacking energy: -590.160 Base-Backbone interact. energy: 0.966 local terms energy: -597.048438 where: bonds (distance) C4'-P energy: -100.189 bonds (distance) P-C4' energy: -108.371 flat angles C4'-P-C4' energy: -147.276 flat angles P-C4'-P energy: -82.145 tors. eta vs tors. theta energy: -159.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1766.792713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.792713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.792713 (E_RNA) where: Base-Base interactions energy: -1212.580 where: short stacking energy: -511.346 Base-Backbone interact. energy: -0.266 local terms energy: -553.946064 where: bonds (distance) C4'-P energy: -117.934 bonds (distance) P-C4' energy: -106.158 flat angles C4'-P-C4' energy: -120.901 flat angles P-C4'-P energy: -77.127 tors. eta vs tors. theta energy: -131.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1308.467108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.467108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.467108 (E_RNA) where: Base-Base interactions energy: -851.452 where: short stacking energy: -375.840 Base-Backbone interact. energy: -0.459 local terms energy: -456.556526 where: bonds (distance) C4'-P energy: -111.521 bonds (distance) P-C4' energy: -105.569 flat angles C4'-P-C4' energy: -109.986 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -80.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2732.638244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.638244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.638244 (E_RNA) where: Base-Base interactions energy: -1938.770 where: short stacking energy: -757.208 Base-Backbone interact. energy: -0.787 local terms energy: -793.081586 where: bonds (distance) C4'-P energy: -144.840 bonds (distance) P-C4' energy: -148.563 flat angles C4'-P-C4' energy: -153.229 flat angles P-C4'-P energy: -114.910 tors. eta vs tors. theta energy: -231.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2602.295815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.295815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.295815 (E_RNA) where: Base-Base interactions energy: -1823.648 where: short stacking energy: -772.933 Base-Backbone interact. energy: -0.931 local terms energy: -777.717001 where: bonds (distance) C4'-P energy: -135.884 bonds (distance) P-C4' energy: -131.402 flat angles C4'-P-C4' energy: -163.571 flat angles P-C4'-P energy: -107.410 tors. eta vs tors. theta energy: -239.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2559.421024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.421024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.421024 (E_RNA) where: Base-Base interactions energy: -1817.692 where: short stacking energy: -741.867 Base-Backbone interact. energy: -2.825 local terms energy: -738.903601 where: bonds (distance) C4'-P energy: -136.464 bonds (distance) P-C4' energy: -116.761 flat angles C4'-P-C4' energy: -152.917 flat angles P-C4'-P energy: -109.179 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: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2360.496771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.496771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.496771 (E_RNA) where: Base-Base interactions energy: -1678.934 where: short stacking energy: -680.962 Base-Backbone interact. energy: -2.757 local terms energy: -678.806158 where: bonds (distance) C4'-P energy: -115.040 bonds (distance) P-C4' energy: -121.194 flat angles C4'-P-C4' energy: -140.280 flat angles P-C4'-P energy: -106.292 tors. eta vs tors. theta energy: -196.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2405.321410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.321410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.321410 (E_RNA) where: Base-Base interactions energy: -1701.670 where: short stacking energy: -703.365 Base-Backbone interact. energy: -1.707 local terms energy: -701.944523 where: bonds (distance) C4'-P energy: -124.227 bonds (distance) P-C4' energy: -121.371 flat angles C4'-P-C4' energy: -151.656 flat angles P-C4'-P energy: -85.477 tors. eta vs tors. theta energy: -219.213 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: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2195.503725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.503725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.503725 (E_RNA) where: Base-Base interactions energy: -1561.656 where: short stacking energy: -604.767 Base-Backbone interact. energy: -0.881 local terms energy: -632.966810 where: bonds (distance) C4'-P energy: -116.021 bonds (distance) P-C4' energy: -117.987 flat angles C4'-P-C4' energy: -148.451 flat angles P-C4'-P energy: -79.524 tors. eta vs tors. theta energy: -170.984 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: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2198.611940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.611940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.611940 (E_RNA) where: Base-Base interactions energy: -1552.811 where: short stacking energy: -654.967 Base-Backbone interact. energy: 0.282 local terms energy: -646.082761 where: bonds (distance) C4'-P energy: -117.144 bonds (distance) P-C4' energy: -115.142 flat angles C4'-P-C4' energy: -132.554 flat angles P-C4'-P energy: -92.524 tors. eta vs tors. theta energy: -188.719 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: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -2051.119057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.119057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.119057 (E_RNA) where: Base-Base interactions energy: -1433.138 where: short stacking energy: -576.202 Base-Backbone interact. energy: -1.902 local terms energy: -616.079575 where: bonds (distance) C4'-P energy: -113.892 bonds (distance) P-C4' energy: -106.096 flat angles C4'-P-C4' energy: -127.464 flat angles P-C4'-P energy: -91.442 tors. eta vs tors. theta energy: -177.186 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: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1849.555176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.555176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.555176 (E_RNA) where: Base-Base interactions energy: -1279.412 where: short stacking energy: -548.556 Base-Backbone interact. energy: -2.540 local terms energy: -567.603253 where: bonds (distance) C4'-P energy: -98.790 bonds (distance) P-C4' energy: -111.896 flat angles C4'-P-C4' energy: -137.090 flat angles P-C4'-P energy: -69.486 tors. eta vs tors. theta energy: -150.341 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: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1299.725380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.725380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.725380 (E_RNA) where: Base-Base interactions energy: -856.636 where: short stacking energy: -366.501 Base-Backbone interact. energy: 0.478 local terms energy: -443.566955 where: bonds (distance) C4'-P energy: -81.840 bonds (distance) P-C4' energy: -93.637 flat angles C4'-P-C4' energy: -113.466 flat angles P-C4'-P energy: -60.697 tors. eta vs tors. theta energy: -93.928 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: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2710.151475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.151475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.151475 (E_RNA) where: Base-Base interactions energy: -1922.285 where: short stacking energy: -757.520 Base-Backbone interact. energy: -3.123 local terms energy: -784.743124 where: bonds (distance) C4'-P energy: -132.531 bonds (distance) P-C4' energy: -145.441 flat angles C4'-P-C4' energy: -161.432 flat angles P-C4'-P energy: -110.519 tors. eta vs tors. theta energy: -234.821 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: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2609.736803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.736803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.736803 (E_RNA) where: Base-Base interactions energy: -1837.809 where: short stacking energy: -775.233 Base-Backbone interact. energy: -0.235 local terms energy: -771.692783 where: bonds (distance) C4'-P energy: -133.556 bonds (distance) P-C4' energy: -128.435 flat angles C4'-P-C4' energy: -153.328 flat angles P-C4'-P energy: -108.340 tors. eta vs tors. theta energy: -248.035 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: 4 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2544.513162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.513162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.513162 (E_RNA) where: Base-Base interactions energy: -1811.365 where: short stacking energy: -743.501 Base-Backbone interact. energy: -3.881 local terms energy: -729.267048 where: bonds (distance) C4'-P energy: -148.561 bonds (distance) P-C4' energy: -118.569 flat angles C4'-P-C4' energy: -148.543 flat angles P-C4'-P energy: -89.106 tors. eta vs tors. theta energy: -224.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2461.380724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.380724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.380724 (E_RNA) where: Base-Base interactions energy: -1775.627 where: short stacking energy: -712.798 Base-Backbone interact. energy: 6.950 local terms energy: -692.704270 where: bonds (distance) C4'-P energy: -119.327 bonds (distance) P-C4' energy: -125.429 flat angles C4'-P-C4' energy: -147.171 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -205.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2309.444296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.444296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.444296 (E_RNA) where: Base-Base interactions energy: -1647.977 where: short stacking energy: -661.910 Base-Backbone interact. energy: -1.337 local terms energy: -660.130946 where: bonds (distance) C4'-P energy: -121.283 bonds (distance) P-C4' energy: -108.366 flat angles C4'-P-C4' energy: -131.851 flat angles P-C4'-P energy: -107.523 tors. eta vs tors. theta energy: -191.108 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: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2252.112599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.112599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.112599 (E_RNA) where: Base-Base interactions energy: -1557.076 where: short stacking energy: -642.514 Base-Backbone interact. energy: -1.535 local terms energy: -693.502109 where: bonds (distance) C4'-P energy: -129.341 bonds (distance) P-C4' energy: -125.848 flat angles C4'-P-C4' energy: -139.746 flat angles P-C4'-P energy: -96.213 tors. eta vs tors. theta energy: -202.354 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: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2173.250326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.250326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.250326 (E_RNA) where: Base-Base interactions energy: -1558.228 where: short stacking energy: -606.256 Base-Backbone interact. energy: -0.271 local terms energy: -614.750754 where: bonds (distance) C4'-P energy: -91.610 bonds (distance) P-C4' energy: -106.787 flat angles C4'-P-C4' energy: -141.401 flat angles P-C4'-P energy: -98.804 tors. eta vs tors. theta energy: -176.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1989.443406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.443406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.443406 (E_RNA) where: Base-Base interactions energy: -1399.417 where: short stacking energy: -568.549 Base-Backbone interact. energy: -3.455 local terms energy: -586.571657 where: bonds (distance) C4'-P energy: -106.703 bonds (distance) P-C4' energy: -105.330 flat angles C4'-P-C4' energy: -128.826 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -163.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1862.814289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.814289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.814289 (E_RNA) where: Base-Base interactions energy: -1307.169 where: short stacking energy: -536.450 Base-Backbone interact. energy: 7.195 local terms energy: -562.840694 where: bonds (distance) C4'-P energy: -99.048 bonds (distance) P-C4' energy: -112.283 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -73.058 tors. eta vs tors. theta energy: -149.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1237.909729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.909729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.909729 (E_RNA) where: Base-Base interactions energy: -803.313 where: short stacking energy: -334.653 Base-Backbone interact. energy: 4.136 local terms energy: -438.732337 where: bonds (distance) C4'-P energy: -105.306 bonds (distance) P-C4' energy: -99.480 flat angles C4'-P-C4' energy: -106.594 flat angles P-C4'-P energy: -58.696 tors. eta vs tors. theta energy: -68.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2698.966867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.966867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.966867 (E_RNA) where: Base-Base interactions energy: -1925.039 where: short stacking energy: -771.161 Base-Backbone interact. energy: -3.162 local terms energy: -770.766369 where: bonds (distance) C4'-P energy: -133.732 bonds (distance) P-C4' energy: -140.352 flat angles C4'-P-C4' energy: -162.618 flat angles P-C4'-P energy: -104.778 tors. eta vs tors. theta energy: -229.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2592.996501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.996501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.996501 (E_RNA) where: Base-Base interactions energy: -1827.858 where: short stacking energy: -771.142 Base-Backbone interact. energy: -1.079 local terms energy: -764.059942 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -126.502 flat angles C4'-P-C4' energy: -153.235 flat angles P-C4'-P energy: -111.572 tors. eta vs tors. theta energy: -240.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2567.842888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.842888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.842888 (E_RNA) where: Base-Base interactions energy: -1825.678 where: short stacking energy: -737.560 Base-Backbone interact. energy: -1.834 local terms energy: -740.330994 where: bonds (distance) C4'-P energy: -135.656 bonds (distance) P-C4' energy: -111.018 flat angles C4'-P-C4' energy: -150.149 flat angles P-C4'-P energy: -117.285 tors. eta vs tors. theta energy: -226.224 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: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2470.709352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.709352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.709352 (E_RNA) where: Base-Base interactions energy: -1782.501 where: short stacking energy: -734.928 Base-Backbone interact. energy: -1.433 local terms energy: -686.774470 where: bonds (distance) C4'-P energy: -109.090 bonds (distance) P-C4' energy: -125.141 flat angles C4'-P-C4' energy: -149.938 flat angles P-C4'-P energy: -83.760 tors. eta vs tors. theta energy: -218.846 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: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2342.319558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.319558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.319558 (E_RNA) where: Base-Base interactions energy: -1646.874 where: short stacking energy: -669.452 Base-Backbone interact. energy: 0.087 local terms energy: -695.532499 where: bonds (distance) C4'-P energy: -129.182 bonds (distance) P-C4' energy: -114.502 flat angles C4'-P-C4' energy: -148.769 flat angles P-C4'-P energy: -101.030 tors. eta vs tors. theta energy: -202.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2242.338665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.338665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.338665 (E_RNA) where: Base-Base interactions energy: -1582.182 where: short stacking energy: -640.370 Base-Backbone interact. energy: -0.989 local terms energy: -659.168322 where: bonds (distance) C4'-P energy: -111.819 bonds (distance) P-C4' energy: -123.497 flat angles C4'-P-C4' energy: -144.513 flat angles P-C4'-P energy: -94.177 tors. eta vs tors. theta energy: -185.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2131.219754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.219754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.219754 (E_RNA) where: Base-Base interactions energy: -1523.773 where: short stacking energy: -609.303 Base-Backbone interact. energy: -0.075 local terms energy: -607.371126 where: bonds (distance) C4'-P energy: -104.005 bonds (distance) P-C4' energy: -119.165 flat angles C4'-P-C4' energy: -134.762 flat angles P-C4'-P energy: -80.807 tors. eta vs tors. theta energy: -168.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -2016.685262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.685262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.685262 (E_RNA) where: Base-Base interactions energy: -1412.773 where: short stacking energy: -576.944 Base-Backbone interact. energy: 2.564 local terms energy: -606.475925 where: bonds (distance) C4'-P energy: -115.899 bonds (distance) P-C4' energy: -100.607 flat angles C4'-P-C4' energy: -135.459 flat angles P-C4'-P energy: -87.975 tors. eta vs tors. theta energy: -166.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1784.356315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.356315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.356315 (E_RNA) where: Base-Base interactions energy: -1241.060 where: short stacking energy: -520.090 Base-Backbone interact. energy: -2.261 local terms energy: -541.034937 where: bonds (distance) C4'-P energy: -109.199 bonds (distance) P-C4' energy: -104.120 flat angles C4'-P-C4' energy: -108.397 flat angles P-C4'-P energy: -75.650 tors. eta vs tors. theta energy: -143.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1217.781933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.781933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.781933 (E_RNA) where: Base-Base interactions energy: -775.268 where: short stacking energy: -334.723 Base-Backbone interact. energy: -0.340 local terms energy: -442.174318 where: bonds (distance) C4'-P energy: -108.424 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -107.440 flat angles P-C4'-P energy: -65.826 tors. eta vs tors. theta energy: -59.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2704.617882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.617882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.617882 (E_RNA) where: Base-Base interactions energy: -1933.175 where: short stacking energy: -767.976 Base-Backbone interact. energy: -1.548 local terms energy: -769.895187 where: bonds (distance) C4'-P energy: -137.946 bonds (distance) P-C4' energy: -130.169 flat angles C4'-P-C4' energy: -167.767 flat angles P-C4'-P energy: -106.800 tors. eta vs tors. theta energy: -227.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2609.663476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.663476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.663476 (E_RNA) where: Base-Base interactions energy: -1858.828 where: short stacking energy: -756.596 Base-Backbone interact. energy: -1.326 local terms energy: -749.509877 where: bonds (distance) C4'-P energy: -126.498 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -162.172 flat angles P-C4'-P energy: -108.126 tors. eta vs tors. theta energy: -218.215 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: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2532.355047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.355047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.355047 (E_RNA) where: Base-Base interactions energy: -1798.831 where: short stacking energy: -736.587 Base-Backbone interact. energy: -3.113 local terms energy: -730.410483 where: bonds (distance) C4'-P energy: -114.884 bonds (distance) P-C4' energy: -135.319 flat angles C4'-P-C4' energy: -151.016 flat angles P-C4'-P energy: -98.854 tors. eta vs tors. theta energy: -230.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2459.765263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.765263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.765263 (E_RNA) where: Base-Base interactions energy: -1765.262 where: short stacking energy: -706.643 Base-Backbone interact. energy: -1.432 local terms energy: -693.071128 where: bonds (distance) C4'-P energy: -128.146 bonds (distance) P-C4' energy: -114.662 flat angles C4'-P-C4' energy: -140.293 flat angles P-C4'-P energy: -102.355 tors. eta vs tors. theta energy: -207.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2332.023431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.023431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.023431 (E_RNA) where: Base-Base interactions energy: -1659.137 where: short stacking energy: -687.730 Base-Backbone interact. energy: 0.463 local terms energy: -673.349570 where: bonds (distance) C4'-P energy: -110.266 bonds (distance) P-C4' energy: -113.369 flat angles C4'-P-C4' energy: -142.250 flat angles P-C4'-P energy: -98.433 tors. eta vs tors. theta energy: -209.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2263.343658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.343658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.343658 (E_RNA) where: Base-Base interactions energy: -1622.239 where: short stacking energy: -660.433 Base-Backbone interact. energy: -0.720 local terms energy: -640.384407 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -143.133 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -189.027 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: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2116.024797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.024797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.024797 (E_RNA) where: Base-Base interactions energy: -1536.216 where: short stacking energy: -605.564 Base-Backbone interact. energy: -0.205 local terms energy: -579.604080 where: bonds (distance) C4'-P energy: -93.019 bonds (distance) P-C4' energy: -98.258 flat angles C4'-P-C4' energy: -135.804 flat angles P-C4'-P energy: -89.391 tors. eta vs tors. theta energy: -163.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1952.167078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.167078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.167078 (E_RNA) where: Base-Base interactions energy: -1347.841 where: short stacking energy: -536.804 Base-Backbone interact. energy: -0.826 local terms energy: -603.499763 where: bonds (distance) C4'-P energy: -109.155 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -114.167 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -149.604 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: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1825.110940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.110940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.110940 (E_RNA) where: Base-Base interactions energy: -1253.002 where: short stacking energy: -557.886 Base-Backbone interact. energy: -1.057 local terms energy: -571.051260 where: bonds (distance) C4'-P energy: -108.672 bonds (distance) P-C4' energy: -115.847 flat angles C4'-P-C4' energy: -117.141 flat angles P-C4'-P energy: -73.320 tors. eta vs tors. theta energy: -156.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1271.235582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.235582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.235582 (E_RNA) where: Base-Base interactions energy: -806.003 where: short stacking energy: -350.079 Base-Backbone interact. energy: -2.269 local terms energy: -462.963187 where: bonds (distance) C4'-P energy: -97.044 bonds (distance) P-C4' energy: -120.998 flat angles C4'-P-C4' energy: -100.542 flat angles P-C4'-P energy: -72.997 tors. eta vs tors. theta energy: -71.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2686.056344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.056344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.056344 (E_RNA) where: Base-Base interactions energy: -1896.607 where: short stacking energy: -783.344 Base-Backbone interact. energy: -2.306 local terms energy: -787.143444 where: bonds (distance) C4'-P energy: -127.121 bonds (distance) P-C4' energy: -142.481 flat angles C4'-P-C4' energy: -162.106 flat angles P-C4'-P energy: -117.423 tors. eta vs tors. theta energy: -238.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2622.351330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.351330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.351330 (E_RNA) where: Base-Base interactions energy: -1873.356 where: short stacking energy: -762.161 Base-Backbone interact. energy: -1.785 local terms energy: -747.210988 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -134.863 flat angles C4'-P-C4' energy: -149.592 flat angles P-C4'-P energy: -114.205 tors. eta vs tors. theta energy: -227.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2534.316608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.316608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.316608 (E_RNA) where: Base-Base interactions energy: -1814.467 where: short stacking energy: -757.691 Base-Backbone interact. energy: -0.198 local terms energy: -719.651398 where: bonds (distance) C4'-P energy: -113.985 bonds (distance) P-C4' energy: -133.518 flat angles C4'-P-C4' energy: -150.437 flat angles P-C4'-P energy: -91.763 tors. eta vs tors. theta energy: -229.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2482.291047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.291047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.291047 (E_RNA) where: Base-Base interactions energy: -1761.295 where: short stacking energy: -717.886 Base-Backbone interact. energy: -1.452 local terms energy: -719.544729 where: bonds (distance) C4'-P energy: -116.488 bonds (distance) P-C4' energy: -131.174 flat angles C4'-P-C4' energy: -158.501 flat angles P-C4'-P energy: -93.981 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: 9 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2281.291600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.291600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.291600 (E_RNA) where: Base-Base interactions energy: -1608.732 where: short stacking energy: -657.202 Base-Backbone interact. energy: -2.841 local terms energy: -669.718351 where: bonds (distance) C4'-P energy: -113.046 bonds (distance) P-C4' energy: -121.501 flat angles C4'-P-C4' energy: -148.757 flat angles P-C4'-P energy: -87.334 tors. eta vs tors. theta energy: -199.082 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: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2257.474486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.474486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.474486 (E_RNA) where: Base-Base interactions energy: -1630.146 where: short stacking energy: -663.887 Base-Backbone interact. energy: -0.782 local terms energy: -626.546843 where: bonds (distance) C4'-P energy: -107.003 bonds (distance) P-C4' energy: -93.582 flat angles C4'-P-C4' energy: -141.251 flat angles P-C4'-P energy: -86.900 tors. eta vs tors. theta energy: -197.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2137.576050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.576050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.576050 (E_RNA) where: Base-Base interactions energy: -1514.539 where: short stacking energy: -602.386 Base-Backbone interact. energy: 2.104 local terms energy: -625.140354 where: bonds (distance) C4'-P energy: -124.227 bonds (distance) P-C4' energy: -121.472 flat angles C4'-P-C4' energy: -137.625 flat angles P-C4'-P energy: -76.704 tors. eta vs tors. theta energy: -165.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1952.555897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.555897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.555897 (E_RNA) where: Base-Base interactions energy: -1383.587 where: short stacking energy: -533.321 Base-Backbone interact. energy: 0.432 local terms energy: -569.401816 where: bonds (distance) C4'-P energy: -125.750 bonds (distance) P-C4' energy: -89.064 flat angles C4'-P-C4' energy: -128.532 flat angles P-C4'-P energy: -67.532 tors. eta vs tors. theta energy: -158.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1743.896818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.896818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.896818 (E_RNA) where: Base-Base interactions energy: -1214.221 where: short stacking energy: -510.750 Base-Backbone interact. energy: 0.977 local terms energy: -530.653035 where: bonds (distance) C4'-P energy: -104.128 bonds (distance) P-C4' energy: -93.408 flat angles C4'-P-C4' energy: -119.593 flat angles P-C4'-P energy: -84.557 tors. eta vs tors. theta energy: -128.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1283.712770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.712770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.712770 (E_RNA) where: Base-Base interactions energy: -817.787 where: short stacking energy: -338.998 Base-Backbone interact. energy: -1.135 local terms energy: -464.790484 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -119.483 flat angles C4'-P-C4' energy: -111.910 flat angles P-C4'-P energy: -71.657 tors. eta vs tors. theta energy: -53.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2711.657493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.657493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.657493 (E_RNA) where: Base-Base interactions energy: -1922.598 where: short stacking energy: -774.689 Base-Backbone interact. energy: -2.204 local terms energy: -786.855429 where: bonds (distance) C4'-P energy: -133.715 bonds (distance) P-C4' energy: -133.677 flat angles C4'-P-C4' energy: -161.467 flat angles P-C4'-P energy: -114.692 tors. eta vs tors. theta energy: -243.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2612.715635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.715635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.715635 (E_RNA) where: Base-Base interactions energy: -1861.998 where: short stacking energy: -754.689 Base-Backbone interact. energy: -0.963 local terms energy: -749.754484 where: bonds (distance) C4'-P energy: -133.557 bonds (distance) P-C4' energy: -126.237 flat angles C4'-P-C4' energy: -158.076 flat angles P-C4'-P energy: -103.362 tors. eta vs tors. theta energy: -228.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2523.874465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.874465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.874465 (E_RNA) where: Base-Base interactions energy: -1782.762 where: short stacking energy: -755.817 Base-Backbone interact. energy: -1.673 local terms energy: -739.439378 where: bonds (distance) C4'-P energy: -129.380 bonds (distance) P-C4' energy: -139.869 flat angles C4'-P-C4' energy: -130.338 flat angles P-C4'-P energy: -100.844 tors. eta vs tors. theta energy: -239.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2459.316632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.316632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.316632 (E_RNA) where: Base-Base interactions energy: -1741.880 where: short stacking energy: -708.000 Base-Backbone interact. energy: -2.162 local terms energy: -715.274653 where: bonds (distance) C4'-P energy: -120.386 bonds (distance) P-C4' energy: -129.837 flat angles C4'-P-C4' energy: -149.753 flat angles P-C4'-P energy: -97.904 tors. eta vs tors. theta energy: -217.394 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: 9 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2289.796865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.796865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.796865 (E_RNA) where: Base-Base interactions energy: -1635.812 where: short stacking energy: -664.200 Base-Backbone interact. energy: -0.363 local terms energy: -653.622305 where: bonds (distance) C4'-P energy: -106.369 bonds (distance) P-C4' energy: -124.770 flat angles C4'-P-C4' energy: -140.415 flat angles P-C4'-P energy: -87.950 tors. eta vs tors. theta energy: -194.118 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: 1 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2304.238139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.238139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.238139 (E_RNA) where: Base-Base interactions energy: -1636.136 where: short stacking energy: -645.758 Base-Backbone interact. energy: -1.504 local terms energy: -666.597810 where: bonds (distance) C4'-P energy: -124.350 bonds (distance) P-C4' energy: -113.970 flat angles C4'-P-C4' energy: -125.788 flat angles P-C4'-P energy: -97.097 tors. eta vs tors. theta energy: -205.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2060.103295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.103295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.103295 (E_RNA) where: Base-Base interactions energy: -1464.847 where: short stacking energy: -590.692 Base-Backbone interact. energy: -1.214 local terms energy: -594.041922 where: bonds (distance) C4'-P energy: -90.377 bonds (distance) P-C4' energy: -124.297 flat angles C4'-P-C4' energy: -139.379 flat angles P-C4'-P energy: -78.919 tors. eta vs tors. theta energy: -161.069 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: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1998.685487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.685487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.685487 (E_RNA) where: Base-Base interactions energy: -1402.224 where: short stacking energy: -601.977 Base-Backbone interact. energy: -2.394 local terms energy: -594.067451 where: bonds (distance) C4'-P energy: -96.736 bonds (distance) P-C4' energy: -91.614 flat angles C4'-P-C4' energy: -140.396 flat angles P-C4'-P energy: -81.258 tors. eta vs tors. theta energy: -184.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1705.431486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.431486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.431486 (E_RNA) where: Base-Base interactions energy: -1148.868 where: short stacking energy: -496.332 Base-Backbone interact. energy: -3.239 local terms energy: -553.324069 where: bonds (distance) C4'-P energy: -107.837 bonds (distance) P-C4' energy: -107.761 flat angles C4'-P-C4' energy: -120.738 flat angles P-C4'-P energy: -85.327 tors. eta vs tors. theta energy: -131.662 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: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1230.844911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.844911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.844911 (E_RNA) where: Base-Base interactions energy: -808.703 where: short stacking energy: -375.654 Base-Backbone interact. energy: -0.307 local terms energy: -421.835830 where: bonds (distance) C4'-P energy: -104.526 bonds (distance) P-C4' energy: -105.449 flat angles C4'-P-C4' energy: -92.374 flat angles P-C4'-P energy: -60.040 tors. eta vs tors. theta energy: -59.447 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: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2720.415294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.415294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.415294 (E_RNA) where: Base-Base interactions energy: -1934.727 where: short stacking energy: -773.711 Base-Backbone interact. energy: -0.095 local terms energy: -785.592837 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -139.304 flat angles C4'-P-C4' energy: -166.282 flat angles P-C4'-P energy: -104.879 tors. eta vs tors. theta energy: -236.864 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: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2619.623269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.623269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.623269 (E_RNA) where: Base-Base interactions energy: -1849.723 where: short stacking energy: -753.531 Base-Backbone interact. energy: -2.169 local terms energy: -767.730585 where: bonds (distance) C4'-P energy: -137.651 bonds (distance) P-C4' energy: -143.252 flat angles C4'-P-C4' energy: -151.815 flat angles P-C4'-P energy: -104.444 tors. eta vs tors. theta energy: -230.568 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: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2561.724203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.724203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.724203 (E_RNA) where: Base-Base interactions energy: -1812.974 where: short stacking energy: -752.138 Base-Backbone interact. energy: -0.736 local terms energy: -748.014678 where: bonds (distance) C4'-P energy: -127.949 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -154.935 flat angles P-C4'-P energy: -93.734 tors. eta vs tors. theta energy: -239.460 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: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2491.460294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.460294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.460294 (E_RNA) where: Base-Base interactions energy: -1761.048 where: short stacking energy: -748.047 Base-Backbone interact. energy: -1.072 local terms energy: -729.340790 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -114.828 flat angles C4'-P-C4' energy: -155.495 flat angles P-C4'-P energy: -111.523 tors. eta vs tors. theta energy: -223.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2310.702104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.702104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.702104 (E_RNA) where: Base-Base interactions energy: -1623.968 where: short stacking energy: -643.649 Base-Backbone interact. energy: 1.598 local terms energy: -688.332006 where: bonds (distance) C4'-P energy: -119.554 bonds (distance) P-C4' energy: -123.098 flat angles C4'-P-C4' energy: -142.893 flat angles P-C4'-P energy: -108.540 tors. eta vs tors. theta energy: -194.248 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: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2292.112647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.112647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.112647 (E_RNA) where: Base-Base interactions energy: -1628.730 where: short stacking energy: -653.362 Base-Backbone interact. energy: -1.244 local terms energy: -662.138536 where: bonds (distance) C4'-P energy: -108.426 bonds (distance) P-C4' energy: -112.177 flat angles C4'-P-C4' energy: -139.858 flat angles P-C4'-P energy: -101.232 tors. eta vs tors. theta energy: -200.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2077.028600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.028600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.028600 (E_RNA) where: Base-Base interactions energy: -1479.892 where: short stacking energy: -606.943 Base-Backbone interact. energy: 0.713 local terms energy: -597.850021 where: bonds (distance) C4'-P energy: -110.292 bonds (distance) P-C4' energy: -110.353 flat angles C4'-P-C4' energy: -128.745 flat angles P-C4'-P energy: -80.058 tors. eta vs tors. theta energy: -168.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2031.007729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.007729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.007729 (E_RNA) where: Base-Base interactions energy: -1441.889 where: short stacking energy: -601.457 Base-Backbone interact. energy: 2.871 local terms energy: -591.989626 where: bonds (distance) C4'-P energy: -111.795 bonds (distance) P-C4' energy: -100.805 flat angles C4'-P-C4' energy: -126.034 flat angles P-C4'-P energy: -81.287 tors. eta vs tors. theta energy: -172.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1679.923632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.923632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.923632 (E_RNA) where: Base-Base interactions energy: -1128.967 where: short stacking energy: -456.616 Base-Backbone interact. energy: -2.070 local terms energy: -548.886574 where: bonds (distance) C4'-P energy: -109.377 bonds (distance) P-C4' energy: -111.160 flat angles C4'-P-C4' energy: -119.558 flat angles P-C4'-P energy: -79.525 tors. eta vs tors. theta energy: -129.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1250.790254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.790254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.790254 (E_RNA) where: Base-Base interactions energy: -814.676 where: short stacking energy: -347.338 Base-Backbone interact. energy: 2.786 local terms energy: -438.899501 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -98.240 flat angles C4'-P-C4' energy: -114.211 flat angles P-C4'-P energy: -57.408 tors. eta vs tors. theta energy: -63.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2704.625166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.625166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.625166 (E_RNA) where: Base-Base interactions energy: -1920.023 where: short stacking energy: -768.311 Base-Backbone interact. energy: -2.653 local terms energy: -781.949926 where: bonds (distance) C4'-P energy: -119.643 bonds (distance) P-C4' energy: -143.024 flat angles C4'-P-C4' energy: -164.453 flat angles P-C4'-P energy: -116.628 tors. eta vs tors. theta energy: -238.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2615.010457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.010457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.010457 (E_RNA) where: Base-Base interactions energy: -1875.778 where: short stacking energy: -775.739 Base-Backbone interact. energy: -0.340 local terms energy: -738.892452 where: bonds (distance) C4'-P energy: -127.342 bonds (distance) P-C4' energy: -116.879 flat angles C4'-P-C4' energy: -159.028 flat angles P-C4'-P energy: -106.210 tors. eta vs tors. theta energy: -229.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2577.014062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.014062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.014062 (E_RNA) where: Base-Base interactions energy: -1823.339 where: short stacking energy: -763.215 Base-Backbone interact. energy: -0.227 local terms energy: -753.447873 where: bonds (distance) C4'-P energy: -126.869 bonds (distance) P-C4' energy: -130.960 flat angles C4'-P-C4' energy: -151.041 flat angles P-C4'-P energy: -105.232 tors. eta vs tors. theta energy: -239.345 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: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2473.033932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.033932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.033932 (E_RNA) where: Base-Base interactions energy: -1746.816 where: short stacking energy: -721.896 Base-Backbone interact. energy: -1.597 local terms energy: -724.620986 where: bonds (distance) C4'-P energy: -119.929 bonds (distance) P-C4' energy: -121.973 flat angles C4'-P-C4' energy: -145.123 flat angles P-C4'-P energy: -111.969 tors. eta vs tors. theta energy: -225.626 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: 485 Temperature: 1.100000 Total energy: -2321.571257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.571257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.571257 (E_RNA) where: Base-Base interactions energy: -1677.660 where: short stacking energy: -696.021 Base-Backbone interact. energy: 0.248 local terms energy: -644.159100 where: bonds (distance) C4'-P energy: -100.232 bonds (distance) P-C4' energy: -110.125 flat angles C4'-P-C4' energy: -139.462 flat angles P-C4'-P energy: -88.969 tors. eta vs tors. theta energy: -205.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2259.188834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.188834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.188834 (E_RNA) where: Base-Base interactions energy: -1578.656 where: short stacking energy: -661.607 Base-Backbone interact. energy: -1.956 local terms energy: -678.576802 where: bonds (distance) C4'-P energy: -123.774 bonds (distance) P-C4' energy: -113.661 flat angles C4'-P-C4' energy: -151.709 flat angles P-C4'-P energy: -92.447 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: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2124.501533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.501533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.501533 (E_RNA) where: Base-Base interactions energy: -1531.560 where: short stacking energy: -609.912 Base-Backbone interact. energy: -1.832 local terms energy: -591.109846 where: bonds (distance) C4'-P energy: -96.934 bonds (distance) P-C4' energy: -111.150 flat angles C4'-P-C4' energy: -144.793 flat angles P-C4'-P energy: -80.387 tors. eta vs tors. theta energy: -157.845 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: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -2022.770755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.770755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.770755 (E_RNA) where: Base-Base interactions energy: -1411.125 where: short stacking energy: -583.257 Base-Backbone interact. energy: -1.588 local terms energy: -610.058135 where: bonds (distance) C4'-P energy: -99.298 bonds (distance) P-C4' energy: -106.238 flat angles C4'-P-C4' energy: -145.903 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -173.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1656.711688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.711688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.711688 (E_RNA) where: Base-Base interactions energy: -1128.886 where: short stacking energy: -469.326 Base-Backbone interact. energy: 1.182 local terms energy: -529.007115 where: bonds (distance) C4'-P energy: -114.596 bonds (distance) P-C4' energy: -95.986 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -93.350 tors. eta vs tors. theta energy: -117.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1324.321371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.321371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.321371 (E_RNA) where: Base-Base interactions energy: -879.080 where: short stacking energy: -365.300 Base-Backbone interact. energy: -3.345 local terms energy: -441.896543 where: bonds (distance) C4'-P energy: -97.913 bonds (distance) P-C4' energy: -103.785 flat angles C4'-P-C4' energy: -111.776 flat angles P-C4'-P energy: -63.835 tors. eta vs tors. theta energy: -64.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2692.612745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.612745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.612745 (E_RNA) where: Base-Base interactions energy: -1915.287 where: short stacking energy: -783.321 Base-Backbone interact. energy: -1.595 local terms energy: -775.731589 where: bonds (distance) C4'-P energy: -136.551 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -156.403 flat angles P-C4'-P energy: -111.935 tors. eta vs tors. theta energy: -237.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2617.941106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.941106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.941106 (E_RNA) where: Base-Base interactions energy: -1872.126 where: short stacking energy: -763.398 Base-Backbone interact. energy: -2.871 local terms energy: -742.944268 where: bonds (distance) C4'-P energy: -134.938 bonds (distance) P-C4' energy: -125.208 flat angles C4'-P-C4' energy: -154.094 flat angles P-C4'-P energy: -104.866 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: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2565.433076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.433076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.433076 (E_RNA) where: Base-Base interactions energy: -1819.239 where: short stacking energy: -758.721 Base-Backbone interact. energy: -0.806 local terms energy: -745.388865 where: bonds (distance) C4'-P energy: -128.796 bonds (distance) P-C4' energy: -115.010 flat angles C4'-P-C4' energy: -162.834 flat angles P-C4'-P energy: -105.924 tors. eta vs tors. theta energy: -232.824 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: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2450.322197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.322197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.322197 (E_RNA) where: Base-Base interactions energy: -1732.935 where: short stacking energy: -703.731 Base-Backbone interact. energy: 0.297 local terms energy: -717.684057 where: bonds (distance) C4'-P energy: -120.988 bonds (distance) P-C4' energy: -137.231 flat angles C4'-P-C4' energy: -149.967 flat angles P-C4'-P energy: -96.092 tors. eta vs tors. theta energy: -213.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2367.140959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.140959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.140959 (E_RNA) where: Base-Base interactions energy: -1718.926 where: short stacking energy: -681.164 Base-Backbone interact. energy: -1.547 local terms energy: -646.668074 where: bonds (distance) C4'-P energy: -116.712 bonds (distance) P-C4' energy: -126.833 flat angles C4'-P-C4' energy: -127.681 flat angles P-C4'-P energy: -82.363 tors. eta vs tors. theta energy: -193.078 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: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2296.055896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.055896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.055896 (E_RNA) where: Base-Base interactions energy: -1651.745 where: short stacking energy: -662.324 Base-Backbone interact. energy: 6.556 local terms energy: -650.867235 where: bonds (distance) C4'-P energy: -121.633 bonds (distance) P-C4' energy: -110.305 flat angles C4'-P-C4' energy: -139.502 flat angles P-C4'-P energy: -79.177 tors. eta vs tors. theta energy: -200.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2089.841876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.841876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.841876 (E_RNA) where: Base-Base interactions energy: -1509.168 where: short stacking energy: -608.509 Base-Backbone interact. energy: 0.821 local terms energy: -581.494593 where: bonds (distance) C4'-P energy: -94.229 bonds (distance) P-C4' energy: -115.258 flat angles C4'-P-C4' energy: -137.021 flat angles P-C4'-P energy: -70.423 tors. eta vs tors. theta energy: -164.563 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: 8, replica: 7 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -2093.417870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.417870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.417870 (E_RNA) where: Base-Base interactions energy: -1494.091 where: short stacking energy: -625.244 Base-Backbone interact. energy: -0.689 local terms energy: -598.637733 where: bonds (distance) C4'-P energy: -104.451 bonds (distance) P-C4' energy: -100.774 flat angles C4'-P-C4' energy: -134.382 flat angles P-C4'-P energy: -81.633 tors. eta vs tors. theta energy: -177.398 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: 486 Temperature: 1.300000 Total energy: -1788.862161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.862161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.862161 (E_RNA) where: Base-Base interactions energy: -1251.080 where: short stacking energy: -531.470 Base-Backbone interact. energy: -1.776 local terms energy: -536.006469 where: bonds (distance) C4'-P energy: -96.187 bonds (distance) P-C4' energy: -98.596 flat angles C4'-P-C4' energy: -123.950 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: -143.073 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: 486 Temperature: 1.350000 Total energy: -1369.573568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.573568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.573568 (E_RNA) where: Base-Base interactions energy: -901.363 where: short stacking energy: -385.586 Base-Backbone interact. energy: 0.337 local terms energy: -468.547287 where: bonds (distance) C4'-P energy: -106.360 bonds (distance) P-C4' energy: -106.751 flat angles C4'-P-C4' energy: -120.442 flat angles P-C4'-P energy: -62.692 tors. eta vs tors. theta energy: -72.302 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: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2697.126876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.126876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.126876 (E_RNA) where: Base-Base interactions energy: -1921.881 where: short stacking energy: -789.969 Base-Backbone interact. energy: -2.970 local terms energy: -772.276404 where: bonds (distance) C4'-P energy: -137.754 bonds (distance) P-C4' energy: -124.301 flat angles C4'-P-C4' energy: -164.171 flat angles P-C4'-P energy: -111.823 tors. eta vs tors. theta energy: -234.227 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: 2, replica: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2619.789411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.789411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.789411 (E_RNA) where: Base-Base interactions energy: -1867.999 where: short stacking energy: -751.873 Base-Backbone interact. energy: 0.406 local terms energy: -752.195751 where: bonds (distance) C4'-P energy: -125.829 bonds (distance) P-C4' energy: -124.673 flat angles C4'-P-C4' energy: -158.476 flat angles P-C4'-P energy: -114.256 tors. eta vs tors. theta energy: -228.963 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: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2536.666556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.666556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.666556 (E_RNA) where: Base-Base interactions energy: -1784.403 where: short stacking energy: -744.752 Base-Backbone interact. energy: 1.086 local terms energy: -753.349764 where: bonds (distance) C4'-P energy: -132.075 bonds (distance) P-C4' energy: -129.333 flat angles C4'-P-C4' energy: -157.857 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -235.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2466.799619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.799619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.799619 (E_RNA) where: Base-Base interactions energy: -1754.180 where: short stacking energy: -709.092 Base-Backbone interact. energy: -0.274 local terms energy: -712.345492 where: bonds (distance) C4'-P energy: -109.877 bonds (distance) P-C4' energy: -135.002 flat angles C4'-P-C4' energy: -156.777 flat angles P-C4'-P energy: -97.128 tors. eta vs tors. theta energy: -213.562 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: 9 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2345.732581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.732581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.732581 (E_RNA) where: Base-Base interactions energy: -1673.540 where: short stacking energy: -661.738 Base-Backbone interact. energy: -2.891 local terms energy: -669.301516 where: bonds (distance) C4'-P energy: -118.821 bonds (distance) P-C4' energy: -117.116 flat angles C4'-P-C4' energy: -140.726 flat angles P-C4'-P energy: -93.661 tors. eta vs tors. theta energy: -198.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2236.360552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.360552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.360552 (E_RNA) where: Base-Base interactions energy: -1590.761 where: short stacking energy: -646.302 Base-Backbone interact. energy: -3.268 local terms energy: -642.330696 where: bonds (distance) C4'-P energy: -117.422 bonds (distance) P-C4' energy: -117.041 flat angles C4'-P-C4' energy: -136.493 flat angles P-C4'-P energy: -89.757 tors. eta vs tors. theta energy: -181.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2143.857954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.857954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.857954 (E_RNA) where: Base-Base interactions energy: -1538.052 where: short stacking energy: -612.626 Base-Backbone interact. energy: -0.048 local terms energy: -605.757597 where: bonds (distance) C4'-P energy: -100.560 bonds (distance) P-C4' energy: -107.550 flat angles C4'-P-C4' energy: -134.036 flat angles P-C4'-P energy: -90.871 tors. eta vs tors. theta energy: -172.741 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: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -2134.622028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.622028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.622028 (E_RNA) where: Base-Base interactions energy: -1522.941 where: short stacking energy: -620.431 Base-Backbone interact. energy: 0.938 local terms energy: -612.619906 where: bonds (distance) C4'-P energy: -100.167 bonds (distance) P-C4' energy: -104.621 flat angles C4'-P-C4' energy: -125.951 flat angles P-C4'-P energy: -92.105 tors. eta vs tors. theta energy: -189.776 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: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1754.187466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.187466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.187466 (E_RNA) where: Base-Base interactions energy: -1198.291 where: short stacking energy: -485.324 Base-Backbone interact. energy: 0.341 local terms energy: -556.237362 where: bonds (distance) C4'-P energy: -107.842 bonds (distance) P-C4' energy: -102.285 flat angles C4'-P-C4' energy: -140.630 flat angles P-C4'-P energy: -68.004 tors. eta vs tors. theta energy: -137.476 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: 487 Temperature: 1.350000 Total energy: -1435.880052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.880052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.880052 (E_RNA) where: Base-Base interactions energy: -991.650 where: short stacking energy: -391.721 Base-Backbone interact. energy: 9.217 local terms energy: -453.447019 where: bonds (distance) C4'-P energy: -107.552 bonds (distance) P-C4' energy: -100.281 flat angles C4'-P-C4' energy: -90.743 flat angles P-C4'-P energy: -61.263 tors. eta vs tors. theta energy: -93.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2659.456502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.456502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.456502 (E_RNA) where: Base-Base interactions energy: -1903.291 where: short stacking energy: -778.938 Base-Backbone interact. energy: 1.595 local terms energy: -757.760153 where: bonds (distance) C4'-P energy: -140.503 bonds (distance) P-C4' energy: -136.719 flat angles C4'-P-C4' energy: -153.734 flat angles P-C4'-P energy: -96.702 tors. eta vs tors. theta energy: -230.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2648.636450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.636450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.636450 (E_RNA) where: Base-Base interactions energy: -1890.667 where: short stacking energy: -767.303 Base-Backbone interact. energy: -0.423 local terms energy: -757.546229 where: bonds (distance) C4'-P energy: -137.065 bonds (distance) P-C4' energy: -129.844 flat angles C4'-P-C4' energy: -155.052 flat angles P-C4'-P energy: -109.396 tors. eta vs tors. theta energy: -226.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2554.463615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.463615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.463615 (E_RNA) where: Base-Base interactions energy: -1810.260 where: short stacking energy: -761.895 Base-Backbone interact. energy: -1.949 local terms energy: -742.254089 where: bonds (distance) C4'-P energy: -139.633 bonds (distance) P-C4' energy: -130.745 flat angles C4'-P-C4' energy: -154.257 flat angles P-C4'-P energy: -87.946 tors. eta vs tors. theta energy: -229.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2505.256948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.256948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.256948 (E_RNA) where: Base-Base interactions energy: -1790.551 where: short stacking energy: -740.700 Base-Backbone interact. energy: -2.700 local terms energy: -712.006554 where: bonds (distance) C4'-P energy: -137.053 bonds (distance) P-C4' energy: -117.242 flat angles C4'-P-C4' energy: -143.537 flat angles P-C4'-P energy: -96.159 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: 5, replica: 9 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2338.372297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.372297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.372297 (E_RNA) where: Base-Base interactions energy: -1678.890 where: short stacking energy: -672.022 Base-Backbone interact. energy: 2.859 local terms energy: -662.340989 where: bonds (distance) C4'-P energy: -102.186 bonds (distance) P-C4' energy: -118.651 flat angles C4'-P-C4' energy: -152.189 flat angles P-C4'-P energy: -94.934 tors. eta vs tors. theta energy: -194.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2269.276909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.276909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.276909 (E_RNA) where: Base-Base interactions energy: -1610.461 where: short stacking energy: -654.231 Base-Backbone interact. energy: -1.198 local terms energy: -657.618688 where: bonds (distance) C4'-P energy: -113.372 bonds (distance) P-C4' energy: -116.656 flat angles C4'-P-C4' energy: -147.291 flat angles P-C4'-P energy: -86.844 tors. eta vs tors. theta energy: -193.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2174.477372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.477372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.477372 (E_RNA) where: Base-Base interactions energy: -1535.963 where: short stacking energy: -626.377 Base-Backbone interact. energy: -0.914 local terms energy: -637.600941 where: bonds (distance) C4'-P energy: -106.479 bonds (distance) P-C4' energy: -106.393 flat angles C4'-P-C4' energy: -129.807 flat angles P-C4'-P energy: -97.034 tors. eta vs tors. theta energy: -197.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -2017.962285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.962285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.962285 (E_RNA) where: Base-Base interactions energy: -1453.837 where: short stacking energy: -583.218 Base-Backbone interact. energy: 0.582 local terms energy: -564.707413 where: bonds (distance) C4'-P energy: -98.871 bonds (distance) P-C4' energy: -110.985 flat angles C4'-P-C4' energy: -132.479 flat angles P-C4'-P energy: -56.755 tors. eta vs tors. theta energy: -165.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1883.122983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.122983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.122983 (E_RNA) where: Base-Base interactions energy: -1289.529 where: short stacking energy: -532.605 Base-Backbone interact. energy: -0.273 local terms energy: -593.321075 where: bonds (distance) C4'-P energy: -111.844 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -125.100 flat angles P-C4'-P energy: -84.258 tors. eta vs tors. theta energy: -153.504 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: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1376.517092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.517092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.517092 (E_RNA) where: Base-Base interactions energy: -894.314 where: short stacking energy: -384.861 Base-Backbone interact. energy: 2.432 local terms energy: -484.635194 where: bonds (distance) C4'-P energy: -111.595 bonds (distance) P-C4' energy: -103.236 flat angles C4'-P-C4' energy: -105.936 flat angles P-C4'-P energy: -78.194 tors. eta vs tors. theta energy: -85.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2655.244599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.244599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.244599 (E_RNA) where: Base-Base interactions energy: -1878.751 where: short stacking energy: -760.289 Base-Backbone interact. energy: -3.191 local terms energy: -773.302823 where: bonds (distance) C4'-P energy: -133.525 bonds (distance) P-C4' energy: -149.220 flat angles C4'-P-C4' energy: -142.190 flat angles P-C4'-P energy: -118.549 tors. eta vs tors. theta energy: -229.818 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: 6 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2648.113518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.113518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.113518 (E_RNA) where: Base-Base interactions energy: -1887.619 where: short stacking energy: -770.232 Base-Backbone interact. energy: -1.224 local terms energy: -759.270398 where: bonds (distance) C4'-P energy: -135.052 bonds (distance) P-C4' energy: -125.610 flat angles C4'-P-C4' energy: -160.088 flat angles P-C4'-P energy: -114.367 tors. eta vs tors. theta energy: -224.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2548.240803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.240803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.240803 (E_RNA) where: Base-Base interactions energy: -1789.424 where: short stacking energy: -773.036 Base-Backbone interact. energy: -0.307 local terms energy: -758.509768 where: bonds (distance) C4'-P energy: -115.633 bonds (distance) P-C4' energy: -136.494 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -106.592 tors. eta vs tors. theta energy: -247.785 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: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2489.782351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.782351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.782351 (E_RNA) where: Base-Base interactions energy: -1769.869 where: short stacking energy: -727.220 Base-Backbone interact. energy: -0.723 local terms energy: -719.190576 where: bonds (distance) C4'-P energy: -126.106 bonds (distance) P-C4' energy: -124.941 flat angles C4'-P-C4' energy: -149.345 flat angles P-C4'-P energy: -101.081 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: 5, replica: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2346.702790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.702790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.702790 (E_RNA) where: Base-Base interactions energy: -1683.337 where: short stacking energy: -639.307 Base-Backbone interact. energy: -2.735 local terms energy: -660.630908 where: bonds (distance) C4'-P energy: -117.876 bonds (distance) P-C4' energy: -114.877 flat angles C4'-P-C4' energy: -147.433 flat angles P-C4'-P energy: -91.875 tors. eta vs tors. theta energy: -188.570 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: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2300.056780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.056780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.056780 (E_RNA) where: Base-Base interactions energy: -1647.122 where: short stacking energy: -679.899 Base-Backbone interact. energy: -1.760 local terms energy: -651.175169 where: bonds (distance) C4'-P energy: -99.857 bonds (distance) P-C4' energy: -122.516 flat angles C4'-P-C4' energy: -138.962 flat angles P-C4'-P energy: -92.164 tors. eta vs tors. theta energy: -197.675 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: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2139.967410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.967410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.967410 (E_RNA) where: Base-Base interactions energy: -1542.173 where: short stacking energy: -607.335 Base-Backbone interact. energy: 2.330 local terms energy: -600.124334 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -107.333 flat angles C4'-P-C4' energy: -132.880 flat angles P-C4'-P energy: -76.033 tors. eta vs tors. theta energy: -173.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -2034.603473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.603473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.603473 (E_RNA) where: Base-Base interactions energy: -1473.604 where: short stacking energy: -581.541 Base-Backbone interact. energy: 2.707 local terms energy: -563.707027 where: bonds (distance) C4'-P energy: -103.993 bonds (distance) P-C4' energy: -90.618 flat angles C4'-P-C4' energy: -140.218 flat angles P-C4'-P energy: -72.602 tors. eta vs tors. theta energy: -156.276 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: 9, replica: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1852.662156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.662156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.662156 (E_RNA) where: Base-Base interactions energy: -1286.791 where: short stacking energy: -539.447 Base-Backbone interact. energy: 0.105 local terms energy: -565.976277 where: bonds (distance) C4'-P energy: -118.661 bonds (distance) P-C4' energy: -83.537 flat angles C4'-P-C4' energy: -117.340 flat angles P-C4'-P energy: -89.897 tors. eta vs tors. theta energy: -156.543 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: 489 Temperature: 1.350000 Total energy: -1369.150217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.150217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.150217 (E_RNA) where: Base-Base interactions energy: -934.680 where: short stacking energy: -369.665 Base-Backbone interact. energy: 6.701 local terms energy: -441.171226 where: bonds (distance) C4'-P energy: -116.787 bonds (distance) P-C4' energy: -94.008 flat angles C4'-P-C4' energy: -119.209 flat angles P-C4'-P energy: -52.583 tors. eta vs tors. theta energy: -58.585 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: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2713.305097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.305097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.305097 (E_RNA) where: Base-Base interactions energy: -1924.563 where: short stacking energy: -789.189 Base-Backbone interact. energy: 1.567 local terms energy: -790.309131 where: bonds (distance) C4'-P energy: -140.990 bonds (distance) P-C4' energy: -140.262 flat angles C4'-P-C4' energy: -162.139 flat angles P-C4'-P energy: -115.733 tors. eta vs tors. theta energy: -231.184 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: 2, replica: 4 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2613.815044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.815044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.815044 (E_RNA) where: Base-Base interactions energy: -1868.296 where: short stacking energy: -728.044 Base-Backbone interact. energy: -1.469 local terms energy: -744.049672 where: bonds (distance) C4'-P energy: -122.151 bonds (distance) P-C4' energy: -128.595 flat angles C4'-P-C4' energy: -156.182 flat angles P-C4'-P energy: -112.871 tors. eta vs tors. theta energy: -224.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2539.311955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.311955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.311955 (E_RNA) where: Base-Base interactions energy: -1808.293 where: short stacking energy: -755.228 Base-Backbone interact. energy: -2.306 local terms energy: -728.712977 where: bonds (distance) C4'-P energy: -127.066 bonds (distance) P-C4' energy: -133.394 flat angles C4'-P-C4' energy: -137.813 flat angles P-C4'-P energy: -103.578 tors. eta vs tors. theta energy: -226.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2504.407784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.407784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.407784 (E_RNA) where: Base-Base interactions energy: -1782.841 where: short stacking energy: -741.740 Base-Backbone interact. energy: -0.881 local terms energy: -720.685903 where: bonds (distance) C4'-P energy: -117.015 bonds (distance) P-C4' energy: -134.207 flat angles C4'-P-C4' energy: -148.104 flat angles P-C4'-P energy: -96.565 tors. eta vs tors. theta energy: -224.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2410.399657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.399657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.399657 (E_RNA) where: Base-Base interactions energy: -1717.382 where: short stacking energy: -692.100 Base-Backbone interact. energy: -2.056 local terms energy: -690.961446 where: bonds (distance) C4'-P energy: -118.056 bonds (distance) P-C4' energy: -136.671 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -84.078 tors. eta vs tors. theta energy: -212.783 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: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2215.883977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.883977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.883977 (E_RNA) where: Base-Base interactions energy: -1595.965 where: short stacking energy: -663.151 Base-Backbone interact. energy: -3.179 local terms energy: -616.740395 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -109.388 flat angles C4'-P-C4' energy: -135.646 flat angles P-C4'-P energy: -82.948 tors. eta vs tors. theta energy: -196.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2083.319736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.319736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.319736 (E_RNA) where: Base-Base interactions energy: -1471.250 where: short stacking energy: -588.899 Base-Backbone interact. energy: -0.943 local terms energy: -611.127047 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -96.643 flat angles C4'-P-C4' energy: -134.748 flat angles P-C4'-P energy: -81.605 tors. eta vs tors. theta energy: -178.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -2082.515096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.515096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.515096 (E_RNA) where: Base-Base interactions energy: -1496.921 where: short stacking energy: -613.197 Base-Backbone interact. energy: 5.804 local terms energy: -591.398798 where: bonds (distance) C4'-P energy: -112.644 bonds (distance) P-C4' energy: -108.008 flat angles C4'-P-C4' energy: -126.258 flat angles P-C4'-P energy: -80.882 tors. eta vs tors. theta energy: -163.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1837.707489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.707489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.707489 (E_RNA) where: Base-Base interactions energy: -1293.035 where: short stacking energy: -539.454 Base-Backbone interact. energy: -2.087 local terms energy: -542.585573 where: bonds (distance) C4'-P energy: -101.424 bonds (distance) P-C4' energy: -98.826 flat angles C4'-P-C4' energy: -109.771 flat angles P-C4'-P energy: -82.941 tors. eta vs tors. theta energy: -149.623 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: 490 Temperature: 1.350000 Total energy: -1452.229329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.229329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.229329 (E_RNA) where: Base-Base interactions energy: -966.767 where: short stacking energy: -406.824 Base-Backbone interact. energy: 1.138 local terms energy: -486.600624 where: bonds (distance) C4'-P energy: -96.481 bonds (distance) P-C4' energy: -99.690 flat angles C4'-P-C4' energy: -119.088 flat angles P-C4'-P energy: -73.808 tors. eta vs tors. theta energy: -97.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2693.245449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.245449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.245449 (E_RNA) where: Base-Base interactions energy: -1932.660 where: short stacking energy: -772.320 Base-Backbone interact. energy: -1.465 local terms energy: -759.120224 where: bonds (distance) C4'-P energy: -133.318 bonds (distance) P-C4' energy: -136.725 flat angles C4'-P-C4' energy: -154.593 flat angles P-C4'-P energy: -99.418 tors. eta vs tors. theta energy: -235.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2583.633078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.633078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.633078 (E_RNA) where: Base-Base interactions energy: -1834.674 where: short stacking energy: -737.815 Base-Backbone interact. energy: -1.448 local terms energy: -747.511063 where: bonds (distance) C4'-P energy: -127.450 bonds (distance) P-C4' energy: -122.985 flat angles C4'-P-C4' energy: -147.631 flat angles P-C4'-P energy: -119.249 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: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2539.292628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.292628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.292628 (E_RNA) where: Base-Base interactions energy: -1824.468 where: short stacking energy: -739.590 Base-Backbone interact. energy: -2.045 local terms energy: -712.779115 where: bonds (distance) C4'-P energy: -119.444 bonds (distance) P-C4' energy: -116.876 flat angles C4'-P-C4' energy: -146.152 flat angles P-C4'-P energy: -112.238 tors. eta vs tors. theta energy: -218.068 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: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2472.932702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.932702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.932702 (E_RNA) where: Base-Base interactions energy: -1756.472 where: short stacking energy: -697.412 Base-Backbone interact. energy: -0.965 local terms energy: -715.495346 where: bonds (distance) C4'-P energy: -132.523 bonds (distance) P-C4' energy: -128.567 flat angles C4'-P-C4' energy: -142.395 flat angles P-C4'-P energy: -103.503 tors. eta vs tors. theta energy: -208.507 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: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2435.214687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.214687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.214687 (E_RNA) where: Base-Base interactions energy: -1736.256 where: short stacking energy: -710.731 Base-Backbone interact. energy: -1.249 local terms energy: -697.709688 where: bonds (distance) C4'-P energy: -110.949 bonds (distance) P-C4' energy: -121.537 flat angles C4'-P-C4' energy: -144.446 flat angles P-C4'-P energy: -93.372 tors. eta vs tors. theta energy: -227.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2264.441177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.441177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.441177 (E_RNA) where: Base-Base interactions energy: -1619.097 where: short stacking energy: -654.953 Base-Backbone interact. energy: 3.700 local terms energy: -649.044810 where: bonds (distance) C4'-P energy: -121.749 bonds (distance) P-C4' energy: -105.051 flat angles C4'-P-C4' energy: -130.269 flat angles P-C4'-P energy: -94.869 tors. eta vs tors. theta energy: -197.107 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: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2067.647901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.647901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.647901 (E_RNA) where: Base-Base interactions energy: -1484.866 where: short stacking energy: -568.438 Base-Backbone interact. energy: -0.262 local terms energy: -582.519769 where: bonds (distance) C4'-P energy: -108.305 bonds (distance) P-C4' energy: -120.208 flat angles C4'-P-C4' energy: -127.019 flat angles P-C4'-P energy: -67.438 tors. eta vs tors. theta energy: -159.550 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: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -2002.662541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.662541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.662541 (E_RNA) where: Base-Base interactions energy: -1412.029 where: short stacking energy: -574.876 Base-Backbone interact. energy: 1.678 local terms energy: -592.312005 where: bonds (distance) C4'-P energy: -103.663 bonds (distance) P-C4' energy: -94.925 flat angles C4'-P-C4' energy: -134.046 flat angles P-C4'-P energy: -87.181 tors. eta vs tors. theta energy: -172.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1853.342328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.342328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.342328 (E_RNA) where: Base-Base interactions energy: -1283.394 where: short stacking energy: -531.028 Base-Backbone interact. energy: 2.762 local terms energy: -572.710588 where: bonds (distance) C4'-P energy: -95.089 bonds (distance) P-C4' energy: -108.838 flat angles C4'-P-C4' energy: -118.221 flat angles P-C4'-P energy: -93.947 tors. eta vs tors. theta energy: -156.616 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: 10, replica: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1389.811703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.811703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.811703 (E_RNA) where: Base-Base interactions energy: -931.573 where: short stacking energy: -405.790 Base-Backbone interact. energy: -0.177 local terms energy: -458.061380 where: bonds (distance) C4'-P energy: -98.782 bonds (distance) P-C4' energy: -102.547 flat angles C4'-P-C4' energy: -101.078 flat angles P-C4'-P energy: -63.165 tors. eta vs tors. theta energy: -92.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2700.416520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.416520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.416520 (E_RNA) where: Base-Base interactions energy: -1932.904 where: short stacking energy: -778.167 Base-Backbone interact. energy: -1.262 local terms energy: -766.251006 where: bonds (distance) C4'-P energy: -131.703 bonds (distance) P-C4' energy: -141.450 flat angles C4'-P-C4' energy: -155.149 flat angles P-C4'-P energy: -105.389 tors. eta vs tors. theta energy: -232.561 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: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2590.374708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.374708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.374708 (E_RNA) where: Base-Base interactions energy: -1832.721 where: short stacking energy: -732.131 Base-Backbone interact. energy: -2.147 local terms energy: -755.506911 where: bonds (distance) C4'-P energy: -128.973 bonds (distance) P-C4' energy: -140.489 flat angles C4'-P-C4' energy: -149.057 flat angles P-C4'-P energy: -106.049 tors. eta vs tors. theta energy: -230.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2551.708953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.708953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.708953 (E_RNA) where: Base-Base interactions energy: -1845.193 where: short stacking energy: -767.480 Base-Backbone interact. energy: 0.263 local terms energy: -706.779111 where: bonds (distance) C4'-P energy: -115.392 bonds (distance) P-C4' energy: -121.150 flat angles C4'-P-C4' energy: -151.027 flat angles P-C4'-P energy: -90.942 tors. eta vs tors. theta energy: -228.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2462.914371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.914371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.914371 (E_RNA) where: Base-Base interactions energy: -1783.051 where: short stacking energy: -717.626 Base-Backbone interact. energy: -0.754 local terms energy: -679.109991 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -128.152 flat angles C4'-P-C4' energy: -146.595 flat angles P-C4'-P energy: -97.097 tors. eta vs tors. theta energy: -203.653 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: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2442.729150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.729150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.729150 (E_RNA) where: Base-Base interactions energy: -1732.474 where: short stacking energy: -693.795 Base-Backbone interact. energy: -0.884 local terms energy: -709.371371 where: bonds (distance) C4'-P energy: -124.257 bonds (distance) P-C4' energy: -113.365 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -97.942 tors. eta vs tors. theta energy: -222.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2246.600526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.600526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.600526 (E_RNA) where: Base-Base interactions energy: -1570.720 where: short stacking energy: -654.460 Base-Backbone interact. energy: -3.332 local terms energy: -672.549260 where: bonds (distance) C4'-P energy: -114.174 bonds (distance) P-C4' energy: -127.281 flat angles C4'-P-C4' energy: -141.784 flat angles P-C4'-P energy: -94.470 tors. eta vs tors. theta energy: -194.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2087.632505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.632505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.632505 (E_RNA) where: Base-Base interactions energy: -1491.612 where: short stacking energy: -613.786 Base-Backbone interact. energy: -0.934 local terms energy: -595.086639 where: bonds (distance) C4'-P energy: -98.258 bonds (distance) P-C4' energy: -97.159 flat angles C4'-P-C4' energy: -144.449 flat angles P-C4'-P energy: -87.644 tors. eta vs tors. theta energy: -167.577 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: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -2019.908306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.908306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.908306 (E_RNA) where: Base-Base interactions energy: -1436.871 where: short stacking energy: -590.045 Base-Backbone interact. energy: 0.733 local terms energy: -583.769964 where: bonds (distance) C4'-P energy: -104.480 bonds (distance) P-C4' energy: -112.820 flat angles C4'-P-C4' energy: -127.721 flat angles P-C4'-P energy: -78.819 tors. eta vs tors. theta energy: -159.930 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: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1829.678625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.678625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.678625 (E_RNA) where: Base-Base interactions energy: -1277.568 where: short stacking energy: -529.731 Base-Backbone interact. energy: -0.493 local terms energy: -551.617402 where: bonds (distance) C4'-P energy: -114.742 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -121.538 flat angles P-C4'-P energy: -79.807 tors. eta vs tors. theta energy: -139.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1364.718603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.718603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.718603 (E_RNA) where: Base-Base interactions energy: -880.080 where: short stacking energy: -391.649 Base-Backbone interact. energy: -1.934 local terms energy: -482.704035 where: bonds (distance) C4'-P energy: -100.990 bonds (distance) P-C4' energy: -114.102 flat angles C4'-P-C4' energy: -112.123 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: -87.687 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: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2701.452778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.452778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.452778 (E_RNA) where: Base-Base interactions energy: -1948.495 where: short stacking energy: -787.618 Base-Backbone interact. energy: 2.271 local terms energy: -755.228870 where: bonds (distance) C4'-P energy: -132.039 bonds (distance) P-C4' energy: -126.820 flat angles C4'-P-C4' energy: -149.624 flat angles P-C4'-P energy: -111.834 tors. eta vs tors. theta energy: -234.912 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: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2606.459706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.459706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.459706 (E_RNA) where: Base-Base interactions energy: -1835.709 where: short stacking energy: -739.157 Base-Backbone interact. energy: -1.494 local terms energy: -769.256424 where: bonds (distance) C4'-P energy: -141.535 bonds (distance) P-C4' energy: -140.474 flat angles C4'-P-C4' energy: -165.948 flat angles P-C4'-P energy: -100.520 tors. eta vs tors. theta energy: -220.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2559.992095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.992095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.992095 (E_RNA) where: Base-Base interactions energy: -1814.347 where: short stacking energy: -765.161 Base-Backbone interact. energy: -2.309 local terms energy: -743.336423 where: bonds (distance) C4'-P energy: -122.405 bonds (distance) P-C4' energy: -126.585 flat angles C4'-P-C4' energy: -156.767 flat angles P-C4'-P energy: -106.802 tors. eta vs tors. theta energy: -230.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2514.323662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.323662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.323662 (E_RNA) where: Base-Base interactions energy: -1789.175 where: short stacking energy: -723.161 Base-Backbone interact. energy: -1.506 local terms energy: -723.642932 where: bonds (distance) C4'-P energy: -117.034 bonds (distance) P-C4' energy: -129.743 flat angles C4'-P-C4' energy: -150.009 flat angles P-C4'-P energy: -102.465 tors. eta vs tors. theta energy: -224.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2408.123240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.123240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.123240 (E_RNA) where: Base-Base interactions energy: -1715.993 where: short stacking energy: -682.362 Base-Backbone interact. energy: -4.725 local terms energy: -687.404682 where: bonds (distance) C4'-P energy: -116.881 bonds (distance) P-C4' energy: -138.872 flat angles C4'-P-C4' energy: -136.995 flat angles P-C4'-P energy: -85.649 tors. eta vs tors. theta energy: -209.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2220.060516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.060516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.060516 (E_RNA) where: Base-Base interactions energy: -1575.657 where: short stacking energy: -637.718 Base-Backbone interact. energy: -0.086 local terms energy: -644.317670 where: bonds (distance) C4'-P energy: -111.561 bonds (distance) P-C4' energy: -116.666 flat angles C4'-P-C4' energy: -141.945 flat angles P-C4'-P energy: -88.843 tors. eta vs tors. theta energy: -185.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2154.809948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.809948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.809948 (E_RNA) where: Base-Base interactions energy: -1507.887 where: short stacking energy: -623.680 Base-Backbone interact. energy: -3.500 local terms energy: -643.423147 where: bonds (distance) C4'-P energy: -104.699 bonds (distance) P-C4' energy: -116.641 flat angles C4'-P-C4' energy: -149.238 flat angles P-C4'-P energy: -91.665 tors. eta vs tors. theta energy: -181.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1950.918460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.918460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.918460 (E_RNA) where: Base-Base interactions energy: -1376.243 where: short stacking energy: -577.926 Base-Backbone interact. energy: 0.277 local terms energy: -574.952436 where: bonds (distance) C4'-P energy: -100.521 bonds (distance) P-C4' energy: -102.576 flat angles C4'-P-C4' energy: -131.256 flat angles P-C4'-P energy: -76.227 tors. eta vs tors. theta energy: -164.372 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: 9, replica: 8 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1812.637061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.637061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.637061 (E_RNA) where: Base-Base interactions energy: -1252.378 where: short stacking energy: -512.073 Base-Backbone interact. energy: -2.067 local terms energy: -558.192265 where: bonds (distance) C4'-P energy: -98.147 bonds (distance) P-C4' energy: -118.382 flat angles C4'-P-C4' energy: -122.326 flat angles P-C4'-P energy: -73.377 tors. eta vs tors. theta energy: -145.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1322.813203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.813203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.813203 (E_RNA) where: Base-Base interactions energy: -856.873 where: short stacking energy: -360.152 Base-Backbone interact. energy: -2.629 local terms energy: -463.311844 where: bonds (distance) C4'-P energy: -93.734 bonds (distance) P-C4' energy: -119.787 flat angles C4'-P-C4' energy: -119.304 flat angles P-C4'-P energy: -62.048 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: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2714.878124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.878124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.878124 (E_RNA) where: Base-Base interactions energy: -1926.290 where: short stacking energy: -767.515 Base-Backbone interact. energy: -1.335 local terms energy: -787.252899 where: bonds (distance) C4'-P energy: -138.404 bonds (distance) P-C4' energy: -132.348 flat angles C4'-P-C4' energy: -169.451 flat angles P-C4'-P energy: -113.914 tors. eta vs tors. theta energy: -233.137 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: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2595.167536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.167536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.167536 (E_RNA) where: Base-Base interactions energy: -1842.730 where: short stacking energy: -733.703 Base-Backbone interact. energy: -2.494 local terms energy: -749.943732 where: bonds (distance) C4'-P energy: -142.201 bonds (distance) P-C4' energy: -137.451 flat angles C4'-P-C4' energy: -156.304 flat angles P-C4'-P energy: -95.114 tors. eta vs tors. theta energy: -218.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2519.043030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.043030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.043030 (E_RNA) where: Base-Base interactions energy: -1769.057 where: short stacking energy: -696.979 Base-Backbone interact. energy: -0.926 local terms energy: -749.060365 where: bonds (distance) C4'-P energy: -138.757 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -162.446 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -210.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2499.543031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.543031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.543031 (E_RNA) where: Base-Base interactions energy: -1776.423 where: short stacking energy: -746.568 Base-Backbone interact. energy: -2.676 local terms energy: -720.443938 where: bonds (distance) C4'-P energy: -114.406 bonds (distance) P-C4' energy: -109.254 flat angles C4'-P-C4' energy: -159.539 flat angles P-C4'-P energy: -113.086 tors. eta vs tors. theta energy: -224.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2374.999283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.999283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.999283 (E_RNA) where: Base-Base interactions energy: -1682.261 where: short stacking energy: -676.581 Base-Backbone interact. energy: -0.057 local terms energy: -692.680844 where: bonds (distance) C4'-P energy: -120.783 bonds (distance) P-C4' energy: -124.771 flat angles C4'-P-C4' energy: -144.636 flat angles P-C4'-P energy: -105.535 tors. eta vs tors. theta energy: -196.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2285.672824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.672824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.672824 (E_RNA) where: Base-Base interactions energy: -1640.785 where: short stacking energy: -660.527 Base-Backbone interact. energy: -1.857 local terms energy: -643.030819 where: bonds (distance) C4'-P energy: -98.634 bonds (distance) P-C4' energy: -110.346 flat angles C4'-P-C4' energy: -142.819 flat angles P-C4'-P energy: -90.727 tors. eta vs tors. theta energy: -200.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2060.885806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.885806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.885806 (E_RNA) where: Base-Base interactions energy: -1473.423 where: short stacking energy: -647.561 Base-Backbone interact. energy: -1.602 local terms energy: -585.860968 where: bonds (distance) C4'-P energy: -100.941 bonds (distance) P-C4' energy: -98.112 flat angles C4'-P-C4' energy: -131.923 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -182.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -2015.490250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.490250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.490250 (E_RNA) where: Base-Base interactions energy: -1425.685 where: short stacking energy: -580.281 Base-Backbone interact. energy: 1.780 local terms energy: -591.585468 where: bonds (distance) C4'-P energy: -79.602 bonds (distance) P-C4' energy: -109.860 flat angles C4'-P-C4' energy: -135.482 flat angles P-C4'-P energy: -91.830 tors. eta vs tors. theta energy: -174.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1868.756027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.756027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.756027 (E_RNA) where: Base-Base interactions energy: -1304.728 where: short stacking energy: -538.745 Base-Backbone interact. energy: 3.183 local terms energy: -567.210845 where: bonds (distance) C4'-P energy: -110.786 bonds (distance) P-C4' energy: -104.799 flat angles C4'-P-C4' energy: -112.820 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -149.777 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: 494 Temperature: 1.350000 Total energy: -1387.541703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.541703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.541703 (E_RNA) where: Base-Base interactions energy: -917.134 where: short stacking energy: -386.416 Base-Backbone interact. energy: 0.908 local terms energy: -471.315971 where: bonds (distance) C4'-P energy: -99.227 bonds (distance) P-C4' energy: -90.697 flat angles C4'-P-C4' energy: -107.295 flat angles P-C4'-P energy: -73.756 tors. eta vs tors. theta energy: -100.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2704.410953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.410953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.410953 (E_RNA) where: Base-Base interactions energy: -1950.871 where: short stacking energy: -790.715 Base-Backbone interact. energy: -1.674 local terms energy: -751.866109 where: bonds (distance) C4'-P energy: -130.683 bonds (distance) P-C4' energy: -126.131 flat angles C4'-P-C4' energy: -146.175 flat angles P-C4'-P energy: -113.091 tors. eta vs tors. theta energy: -235.787 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: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2609.912931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.912931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.912931 (E_RNA) where: Base-Base interactions energy: -1852.453 where: short stacking energy: -735.530 Base-Backbone interact. energy: -0.839 local terms energy: -756.620766 where: bonds (distance) C4'-P energy: -128.078 bonds (distance) P-C4' energy: -144.425 flat angles C4'-P-C4' energy: -154.092 flat angles P-C4'-P energy: -109.217 tors. eta vs tors. theta energy: -220.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2489.164570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.164570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.164570 (E_RNA) where: Base-Base interactions energy: -1780.476 where: short stacking energy: -721.609 Base-Backbone interact. energy: 0.686 local terms energy: -709.374641 where: bonds (distance) C4'-P energy: -110.127 bonds (distance) P-C4' energy: -135.259 flat angles C4'-P-C4' energy: -151.484 flat angles P-C4'-P energy: -92.869 tors. eta vs tors. theta energy: -219.636 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: 495 Temperature: 1.050000 Total energy: -2485.092856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.092856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.092856 (E_RNA) where: Base-Base interactions energy: -1748.999 where: short stacking energy: -722.100 Base-Backbone interact. energy: 0.212 local terms energy: -736.305344 where: bonds (distance) C4'-P energy: -110.004 bonds (distance) P-C4' energy: -133.781 flat angles C4'-P-C4' energy: -158.641 flat angles P-C4'-P energy: -111.940 tors. eta vs tors. theta energy: -221.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2349.964811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.964811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.964811 (E_RNA) where: Base-Base interactions energy: -1650.759 where: short stacking energy: -662.411 Base-Backbone interact. energy: -2.966 local terms energy: -696.238998 where: bonds (distance) C4'-P energy: -127.103 bonds (distance) P-C4' energy: -128.299 flat angles C4'-P-C4' energy: -135.531 flat angles P-C4'-P energy: -100.908 tors. eta vs tors. theta energy: -204.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2269.793727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.793727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.793727 (E_RNA) where: Base-Base interactions energy: -1614.274 where: short stacking energy: -650.039 Base-Backbone interact. energy: -3.350 local terms energy: -652.169401 where: bonds (distance) C4'-P energy: -108.688 bonds (distance) P-C4' energy: -125.425 flat angles C4'-P-C4' energy: -133.921 flat angles P-C4'-P energy: -87.680 tors. eta vs tors. theta energy: -196.455 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: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2048.922388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.922388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.922388 (E_RNA) where: Base-Base interactions energy: -1434.040 where: short stacking energy: -609.876 Base-Backbone interact. energy: -0.633 local terms energy: -614.249183 where: bonds (distance) C4'-P energy: -95.705 bonds (distance) P-C4' energy: -120.097 flat angles C4'-P-C4' energy: -126.593 flat angles P-C4'-P energy: -89.149 tors. eta vs tors. theta energy: -182.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -2017.287602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.287602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.287602 (E_RNA) where: Base-Base interactions energy: -1412.583 where: short stacking energy: -565.493 Base-Backbone interact. energy: -1.126 local terms energy: -603.578362 where: bonds (distance) C4'-P energy: -117.960 bonds (distance) P-C4' energy: -104.383 flat angles C4'-P-C4' energy: -132.421 flat angles P-C4'-P energy: -84.291 tors. eta vs tors. theta energy: -164.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1861.112872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.112872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.112872 (E_RNA) where: Base-Base interactions energy: -1299.312 where: short stacking energy: -541.059 Base-Backbone interact. energy: -2.179 local terms energy: -559.621524 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -92.690 flat angles C4'-P-C4' energy: -127.356 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -160.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1441.165372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.165372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.165372 (E_RNA) where: Base-Base interactions energy: -966.094 where: short stacking energy: -400.492 Base-Backbone interact. energy: 3.999 local terms energy: -479.070345 where: bonds (distance) C4'-P energy: -96.146 bonds (distance) P-C4' energy: -117.082 flat angles C4'-P-C4' energy: -113.625 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -85.408 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: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2724.039883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.039883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.039883 (E_RNA) where: Base-Base interactions energy: -1943.770 where: short stacking energy: -778.987 Base-Backbone interact. energy: -1.577 local terms energy: -778.693428 where: bonds (distance) C4'-P energy: -131.141 bonds (distance) P-C4' energy: -142.747 flat angles C4'-P-C4' energy: -166.054 flat angles P-C4'-P energy: -104.911 tors. eta vs tors. theta energy: -233.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2592.766639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.766639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.766639 (E_RNA) where: Base-Base interactions energy: -1846.470 where: short stacking energy: -733.408 Base-Backbone interact. energy: -0.859 local terms energy: -745.438178 where: bonds (distance) C4'-P energy: -132.142 bonds (distance) P-C4' energy: -131.191 flat angles C4'-P-C4' energy: -156.005 flat angles P-C4'-P energy: -104.303 tors. eta vs tors. theta energy: -221.798 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: 496 Temperature: 1.000000 Total energy: -2505.889456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.889456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.889456 (E_RNA) where: Base-Base interactions energy: -1807.647 where: short stacking energy: -745.494 Base-Backbone interact. energy: -2.170 local terms energy: -696.072249 where: bonds (distance) C4'-P energy: -107.405 bonds (distance) P-C4' energy: -121.445 flat angles C4'-P-C4' energy: -154.983 flat angles P-C4'-P energy: -100.244 tors. eta vs tors. theta energy: -211.995 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: 496 Temperature: 1.050000 Total energy: -2496.159823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.159823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.159823 (E_RNA) where: Base-Base interactions energy: -1758.474 where: short stacking energy: -725.900 Base-Backbone interact. energy: -1.469 local terms energy: -736.216706 where: bonds (distance) C4'-P energy: -121.459 bonds (distance) P-C4' energy: -128.415 flat angles C4'-P-C4' energy: -159.761 flat angles P-C4'-P energy: -99.322 tors. eta vs tors. theta energy: -227.259 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: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2355.034692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.034692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.034692 (E_RNA) where: Base-Base interactions energy: -1680.053 where: short stacking energy: -661.577 Base-Backbone interact. energy: -0.270 local terms energy: -674.711785 where: bonds (distance) C4'-P energy: -110.847 bonds (distance) P-C4' energy: -131.620 flat angles C4'-P-C4' energy: -140.121 flat angles P-C4'-P energy: -107.988 tors. eta vs tors. theta energy: -184.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2277.198747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.198747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.198747 (E_RNA) where: Base-Base interactions energy: -1592.538 where: short stacking energy: -657.617 Base-Backbone interact. energy: 0.203 local terms energy: -684.863910 where: bonds (distance) C4'-P energy: -142.443 bonds (distance) P-C4' energy: -119.110 flat angles C4'-P-C4' energy: -130.215 flat angles P-C4'-P energy: -90.911 tors. eta vs tors. theta energy: -202.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2046.219757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.219757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.219757 (E_RNA) where: Base-Base interactions energy: -1393.290 where: short stacking energy: -593.534 Base-Backbone interact. energy: -1.232 local terms energy: -651.696999 where: bonds (distance) C4'-P energy: -111.658 bonds (distance) P-C4' energy: -122.151 flat angles C4'-P-C4' energy: -133.229 flat angles P-C4'-P energy: -94.697 tors. eta vs tors. theta energy: -189.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1939.100390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.100390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.100390 (E_RNA) where: Base-Base interactions energy: -1330.339 where: short stacking energy: -538.037 Base-Backbone interact. energy: -0.911 local terms energy: -607.849765 where: bonds (distance) C4'-P energy: -126.213 bonds (distance) P-C4' energy: -107.697 flat angles C4'-P-C4' energy: -136.811 flat angles P-C4'-P energy: -76.836 tors. eta vs tors. theta energy: -160.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1863.238996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.238996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.238996 (E_RNA) where: Base-Base interactions energy: -1322.057 where: short stacking energy: -541.496 Base-Backbone interact. energy: 0.262 local terms energy: -541.443737 where: bonds (distance) C4'-P energy: -95.698 bonds (distance) P-C4' energy: -101.605 flat angles C4'-P-C4' energy: -120.999 flat angles P-C4'-P energy: -79.785 tors. eta vs tors. theta energy: -143.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1366.103619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.103619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.103619 (E_RNA) where: Base-Base interactions energy: -899.828 where: short stacking energy: -386.257 Base-Backbone interact. energy: 5.294 local terms energy: -471.569313 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -112.185 flat angles C4'-P-C4' energy: -95.823 flat angles P-C4'-P energy: -77.265 tors. eta vs tors. theta energy: -78.943 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: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2725.011957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.011957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.011957 (E_RNA) where: Base-Base interactions energy: -1975.357 where: short stacking energy: -796.036 Base-Backbone interact. energy: 0.484 local terms energy: -750.138376 where: bonds (distance) C4'-P energy: -131.665 bonds (distance) P-C4' energy: -127.899 flat angles C4'-P-C4' energy: -158.882 flat angles P-C4'-P energy: -99.382 tors. eta vs tors. theta energy: -232.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2630.499519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.499519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.499519 (E_RNA) where: Base-Base interactions energy: -1901.855 where: short stacking energy: -767.781 Base-Backbone interact. energy: -1.184 local terms energy: -727.459882 where: bonds (distance) C4'-P energy: -119.752 bonds (distance) P-C4' energy: -121.667 flat angles C4'-P-C4' energy: -159.680 flat angles P-C4'-P energy: -96.284 tors. eta vs tors. theta energy: -230.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2513.349644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.349644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.349644 (E_RNA) where: Base-Base interactions energy: -1787.846 where: short stacking energy: -713.829 Base-Backbone interact. energy: -1.858 local terms energy: -723.645599 where: bonds (distance) C4'-P energy: -122.965 bonds (distance) P-C4' energy: -139.416 flat angles C4'-P-C4' energy: -146.389 flat angles P-C4'-P energy: -102.670 tors. eta vs tors. theta energy: -212.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2500.443381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.443381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.443381 (E_RNA) where: Base-Base interactions energy: -1770.830 where: short stacking energy: -721.911 Base-Backbone interact. energy: 1.064 local terms energy: -730.677087 where: bonds (distance) C4'-P energy: -117.287 bonds (distance) P-C4' energy: -128.440 flat angles C4'-P-C4' energy: -146.606 flat angles P-C4'-P energy: -110.078 tors. eta vs tors. theta energy: -228.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2417.498294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.498294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.498294 (E_RNA) where: Base-Base interactions energy: -1728.344 where: short stacking energy: -710.077 Base-Backbone interact. energy: -2.680 local terms energy: -686.474220 where: bonds (distance) C4'-P energy: -118.761 bonds (distance) P-C4' energy: -120.356 flat angles C4'-P-C4' energy: -143.195 flat angles P-C4'-P energy: -97.058 tors. eta vs tors. theta energy: -207.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2226.087950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.087950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.087950 (E_RNA) where: Base-Base interactions energy: -1580.623 where: short stacking energy: -674.613 Base-Backbone interact. energy: -1.642 local terms energy: -643.822768 where: bonds (distance) C4'-P energy: -112.102 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -143.801 flat angles P-C4'-P energy: -81.461 tors. eta vs tors. theta energy: -194.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2053.110691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.110691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.110691 (E_RNA) where: Base-Base interactions energy: -1426.736 where: short stacking energy: -615.102 Base-Backbone interact. energy: 1.087 local terms energy: -627.461718 where: bonds (distance) C4'-P energy: -120.224 bonds (distance) P-C4' energy: -96.469 flat angles C4'-P-C4' energy: -136.525 flat angles P-C4'-P energy: -87.278 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: 8, replica: 5 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1987.827976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.827976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.827976 (E_RNA) where: Base-Base interactions energy: -1377.186 where: short stacking energy: -557.449 Base-Backbone interact. energy: -1.795 local terms energy: -608.846964 where: bonds (distance) C4'-P energy: -117.661 bonds (distance) P-C4' energy: -117.889 flat angles C4'-P-C4' energy: -134.103 flat angles P-C4'-P energy: -75.137 tors. eta vs tors. theta energy: -164.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1920.319299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.319299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.319299 (E_RNA) where: Base-Base interactions energy: -1350.427 where: short stacking energy: -542.527 Base-Backbone interact. energy: 3.972 local terms energy: -573.864924 where: bonds (distance) C4'-P energy: -100.707 bonds (distance) P-C4' energy: -103.104 flat angles C4'-P-C4' energy: -128.020 flat angles P-C4'-P energy: -87.738 tors. eta vs tors. theta energy: -154.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1351.394706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.394706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.394706 (E_RNA) where: Base-Base interactions energy: -874.817 where: short stacking energy: -389.311 Base-Backbone interact. energy: -0.424 local terms energy: -476.153704 where: bonds (distance) C4'-P energy: -113.359 bonds (distance) P-C4' energy: -99.010 flat angles C4'-P-C4' energy: -115.821 flat angles P-C4'-P energy: -74.712 tors. eta vs tors. theta energy: -73.252 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: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2739.476481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.476481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.476481 (E_RNA) where: Base-Base interactions energy: -1948.967 where: short stacking energy: -792.581 Base-Backbone interact. energy: -3.090 local terms energy: -787.419327 where: bonds (distance) C4'-P energy: -138.590 bonds (distance) P-C4' energy: -138.971 flat angles C4'-P-C4' energy: -161.423 flat angles P-C4'-P energy: -111.963 tors. eta vs tors. theta energy: -236.473 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: 4 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2614.489477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.489477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.489477 (E_RNA) where: Base-Base interactions energy: -1848.050 where: short stacking energy: -757.410 Base-Backbone interact. energy: 0.224 local terms energy: -766.663416 where: bonds (distance) C4'-P energy: -130.558 bonds (distance) P-C4' energy: -144.463 flat angles C4'-P-C4' energy: -162.210 flat angles P-C4'-P energy: -109.724 tors. eta vs tors. theta energy: -219.708 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: 3 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2509.683520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.683520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.683520 (E_RNA) where: Base-Base interactions energy: -1784.623 where: short stacking energy: -732.061 Base-Backbone interact. energy: -2.578 local terms energy: -722.482769 where: bonds (distance) C4'-P energy: -110.196 bonds (distance) P-C4' energy: -113.827 flat angles C4'-P-C4' energy: -153.712 flat angles P-C4'-P energy: -118.209 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: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2521.125051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.125051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.125051 (E_RNA) where: Base-Base interactions energy: -1766.578 where: short stacking energy: -746.465 Base-Backbone interact. energy: -2.404 local terms energy: -752.142532 where: bonds (distance) C4'-P energy: -124.052 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -160.212 flat angles P-C4'-P energy: -102.827 tors. eta vs tors. theta energy: -231.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2393.822546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.822546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.822546 (E_RNA) where: Base-Base interactions energy: -1732.777 where: short stacking energy: -704.606 Base-Backbone interact. energy: 1.093 local terms energy: -662.138497 where: bonds (distance) C4'-P energy: -117.435 bonds (distance) P-C4' energy: -122.792 flat angles C4'-P-C4' energy: -133.002 flat angles P-C4'-P energy: -85.835 tors. eta vs tors. theta energy: -203.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2291.779013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.779013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.779013 (E_RNA) where: Base-Base interactions energy: -1624.446 where: short stacking energy: -684.995 Base-Backbone interact. energy: -2.060 local terms energy: -665.273487 where: bonds (distance) C4'-P energy: -118.219 bonds (distance) P-C4' energy: -102.314 flat angles C4'-P-C4' energy: -151.089 flat angles P-C4'-P energy: -86.695 tors. eta vs tors. theta energy: -206.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2042.412598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.412598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.412598 (E_RNA) where: Base-Base interactions energy: -1428.203 where: short stacking energy: -593.177 Base-Backbone interact. energy: 1.674 local terms energy: -615.884087 where: bonds (distance) C4'-P energy: -112.448 bonds (distance) P-C4' energy: -122.534 flat angles C4'-P-C4' energy: -127.126 flat angles P-C4'-P energy: -80.186 tors. eta vs tors. theta energy: -173.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -2006.537103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.537103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.537103 (E_RNA) where: Base-Base interactions energy: -1415.741 where: short stacking energy: -577.509 Base-Backbone interact. energy: 0.176 local terms energy: -590.972119 where: bonds (distance) C4'-P energy: -100.171 bonds (distance) P-C4' energy: -110.191 flat angles C4'-P-C4' energy: -123.420 flat angles P-C4'-P energy: -89.676 tors. eta vs tors. theta energy: -167.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1876.406029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.406029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.406029 (E_RNA) where: Base-Base interactions energy: -1291.060 where: short stacking energy: -530.784 Base-Backbone interact. energy: -0.228 local terms energy: -585.118341 where: bonds (distance) C4'-P energy: -117.181 bonds (distance) P-C4' energy: -106.741 flat angles C4'-P-C4' energy: -121.848 flat angles P-C4'-P energy: -86.462 tors. eta vs tors. theta energy: -152.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1387.484447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.484447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.484447 (E_RNA) where: Base-Base interactions energy: -932.317 where: short stacking energy: -385.797 Base-Backbone interact. energy: 0.623 local terms energy: -455.790313 where: bonds (distance) C4'-P energy: -116.493 bonds (distance) P-C4' energy: -105.292 flat angles C4'-P-C4' energy: -119.419 flat angles P-C4'-P energy: -46.127 tors. eta vs tors. theta energy: -68.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2715.692165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.692165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.692165 (E_RNA) where: Base-Base interactions energy: -1935.514 where: short stacking energy: -767.404 Base-Backbone interact. energy: -3.316 local terms energy: -776.862184 where: bonds (distance) C4'-P energy: -123.188 bonds (distance) P-C4' energy: -137.556 flat angles C4'-P-C4' energy: -170.628 flat angles P-C4'-P energy: -110.457 tors. eta vs tors. theta energy: -235.034 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: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2552.984636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.984636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.984636 (E_RNA) where: Base-Base interactions energy: -1790.666 where: short stacking energy: -739.620 Base-Backbone interact. energy: -1.143 local terms energy: -761.175938 where: bonds (distance) C4'-P energy: -127.586 bonds (distance) P-C4' energy: -136.301 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -108.282 tors. eta vs tors. theta energy: -235.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2556.394487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.394487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.394487 (E_RNA) where: Base-Base interactions energy: -1825.276 where: short stacking energy: -723.119 Base-Backbone interact. energy: 0.097 local terms energy: -731.215429 where: bonds (distance) C4'-P energy: -116.966 bonds (distance) P-C4' energy: -132.730 flat angles C4'-P-C4' energy: -153.134 flat angles P-C4'-P energy: -105.937 tors. eta vs tors. theta energy: -222.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2520.018237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.018237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.018237 (E_RNA) where: Base-Base interactions energy: -1776.157 where: short stacking energy: -735.543 Base-Backbone interact. energy: -0.919 local terms energy: -742.942584 where: bonds (distance) C4'-P energy: -124.057 bonds (distance) P-C4' energy: -126.230 flat angles C4'-P-C4' energy: -147.710 flat angles P-C4'-P energy: -102.561 tors. eta vs tors. theta energy: -242.385 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: 5, replica: 9 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2352.681247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.681247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.681247 (E_RNA) where: Base-Base interactions energy: -1666.550 where: short stacking energy: -691.757 Base-Backbone interact. energy: -0.994 local terms energy: -685.137768 where: bonds (distance) C4'-P energy: -104.376 bonds (distance) P-C4' energy: -128.245 flat angles C4'-P-C4' energy: -147.618 flat angles P-C4'-P energy: -95.089 tors. eta vs tors. theta energy: -209.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2261.234763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.234763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.234763 (E_RNA) where: Base-Base interactions energy: -1579.419 where: short stacking energy: -664.428 Base-Backbone interact. energy: 0.216 local terms energy: -682.032440 where: bonds (distance) C4'-P energy: -103.770 bonds (distance) P-C4' energy: -123.630 flat angles C4'-P-C4' energy: -150.196 flat angles P-C4'-P energy: -97.247 tors. eta vs tors. theta energy: -207.189 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: 7 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2114.265162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.265162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.265162 (E_RNA) where: Base-Base interactions energy: -1488.396 where: short stacking energy: -645.770 Base-Backbone interact. energy: -2.460 local terms energy: -623.409441 where: bonds (distance) C4'-P energy: -106.261 bonds (distance) P-C4' energy: -113.301 flat angles C4'-P-C4' energy: -141.049 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -186.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -2076.528527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.528527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.528527 (E_RNA) where: Base-Base interactions energy: -1428.058 where: short stacking energy: -612.428 Base-Backbone interact. energy: 2.082 local terms energy: -650.552099 where: bonds (distance) C4'-P energy: -116.920 bonds (distance) P-C4' energy: -121.773 flat angles C4'-P-C4' energy: -146.156 flat angles P-C4'-P energy: -92.070 tors. eta vs tors. theta energy: -173.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1881.735607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.735607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.735607 (E_RNA) where: Base-Base interactions energy: -1317.926 where: short stacking energy: -529.972 Base-Backbone interact. energy: 1.342 local terms energy: -565.151455 where: bonds (distance) C4'-P energy: -106.491 bonds (distance) P-C4' energy: -116.487 flat angles C4'-P-C4' energy: -114.391 flat angles P-C4'-P energy: -73.676 tors. eta vs tors. theta energy: -154.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -1273.667759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.667759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.667759 (E_RNA) where: Base-Base interactions energy: -855.419 where: short stacking energy: -366.827 Base-Backbone interact. energy: -1.153 local terms energy: -417.095267 where: bonds (distance) C4'-P energy: -108.518 bonds (distance) P-C4' energy: -89.394 flat angles C4'-P-C4' energy: -105.412 flat angles P-C4'-P energy: -59.600 tors. eta vs tors. theta energy: -54.172 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: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2698.644454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.644454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.644454 (E_RNA) where: Base-Base interactions energy: -1926.291 where: short stacking energy: -767.770 Base-Backbone interact. energy: 0.167 local terms energy: -772.520689 where: bonds (distance) C4'-P energy: -138.831 bonds (distance) P-C4' energy: -133.274 flat angles C4'-P-C4' energy: -152.184 flat angles P-C4'-P energy: -112.092 tors. eta vs tors. theta energy: -236.139 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: 3 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2543.574053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.574053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.574053 (E_RNA) where: Base-Base interactions energy: -1781.770 where: short stacking energy: -741.882 Base-Backbone interact. energy: -0.543 local terms energy: -761.261009 where: bonds (distance) C4'-P energy: -142.267 bonds (distance) P-C4' energy: -132.542 flat angles C4'-P-C4' energy: -158.469 flat angles P-C4'-P energy: -109.933 tors. eta vs tors. theta energy: -218.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2595.035425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.035425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.035425 (E_RNA) where: Base-Base interactions energy: -1882.075 where: short stacking energy: -760.565 Base-Backbone interact. energy: -2.608 local terms energy: -710.352426 where: bonds (distance) C4'-P energy: -122.556 bonds (distance) P-C4' energy: -119.369 flat angles C4'-P-C4' energy: -142.916 flat angles P-C4'-P energy: -100.317 tors. eta vs tors. theta energy: -225.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2515.702671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.702671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.702671 (E_RNA) where: Base-Base interactions energy: -1785.653 where: short stacking energy: -741.349 Base-Backbone interact. energy: -1.906 local terms energy: -728.143225 where: bonds (distance) C4'-P energy: -112.469 bonds (distance) P-C4' energy: -132.915 flat angles C4'-P-C4' energy: -159.122 flat angles P-C4'-P energy: -97.994 tors. eta vs tors. theta energy: -225.644 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: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2396.600411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.600411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.600411 (E_RNA) where: Base-Base interactions energy: -1672.720 where: short stacking energy: -655.604 Base-Backbone interact. energy: -3.199 local terms energy: -720.682176 where: bonds (distance) C4'-P energy: -141.931 bonds (distance) P-C4' energy: -137.572 flat angles C4'-P-C4' energy: -142.722 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -202.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2260.476437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.476437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.476437 (E_RNA) where: Base-Base interactions energy: -1617.894 where: short stacking energy: -655.392 Base-Backbone interact. energy: 0.632 local terms energy: -643.214357 where: bonds (distance) C4'-P energy: -97.410 bonds (distance) P-C4' energy: -113.065 flat angles C4'-P-C4' energy: -136.360 flat angles P-C4'-P energy: -101.991 tors. eta vs tors. theta energy: -194.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -2162.983806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.983806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.983806 (E_RNA) where: Base-Base interactions energy: -1519.795 where: short stacking energy: -630.459 Base-Backbone interact. energy: -1.370 local terms energy: -641.818883 where: bonds (distance) C4'-P energy: -107.337 bonds (distance) P-C4' energy: -120.661 flat angles C4'-P-C4' energy: -136.070 flat angles P-C4'-P energy: -94.024 tors. eta vs tors. theta energy: -183.726 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: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -2008.869390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.869390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.869390 (E_RNA) where: Base-Base interactions energy: -1384.920 where: short stacking energy: -568.522 Base-Backbone interact. energy: 1.605 local terms energy: -625.554286 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -104.089 flat angles C4'-P-C4' energy: -145.372 flat angles P-C4'-P energy: -99.640 tors. eta vs tors. theta energy: -173.483 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: 500 Temperature: 1.300000 Total energy: -1911.683136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.683136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.683136 (E_RNA) where: Base-Base interactions energy: -1313.970 where: short stacking energy: -551.708 Base-Backbone interact. energy: -1.280 local terms energy: -596.433138 where: bonds (distance) C4'-P energy: -111.054 bonds (distance) P-C4' energy: -106.593 flat angles C4'-P-C4' energy: -139.790 flat angles P-C4'-P energy: -84.468 tors. eta vs tors. theta energy: -154.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -1326.622389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.622389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.622389 (E_RNA) where: Base-Base interactions energy: -902.762 where: short stacking energy: -374.005 Base-Backbone interact. energy: 2.047 local terms energy: -425.907031 where: bonds (distance) C4'-P energy: -103.439 bonds (distance) P-C4' energy: -101.763 flat angles C4'-P-C4' energy: -111.095 flat angles P-C4'-P energy: -45.192 tors. eta vs tors. theta energy: -64.418 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: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2709.619025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.619025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.619025 (E_RNA) where: Base-Base interactions energy: -1935.828 where: short stacking energy: -775.447 Base-Backbone interact. energy: -0.391 local terms energy: -773.400474 where: bonds (distance) C4'-P energy: -141.932 bonds (distance) P-C4' energy: -132.086 flat angles C4'-P-C4' energy: -153.795 flat angles P-C4'-P energy: -111.805 tors. eta vs tors. theta energy: -233.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2613.192124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.192124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.192124 (E_RNA) where: Base-Base interactions energy: -1856.088 where: short stacking energy: -740.381 Base-Backbone interact. energy: -1.815 local terms energy: -755.288666 where: bonds (distance) C4'-P energy: -140.651 bonds (distance) P-C4' energy: -132.820 flat angles C4'-P-C4' energy: -158.104 flat angles P-C4'-P energy: -98.736 tors. eta vs tors. theta energy: -224.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2513.297543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.297543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.297543 (E_RNA) where: Base-Base interactions energy: -1801.400 where: short stacking energy: -724.402 Base-Backbone interact. energy: -1.485 local terms energy: -710.412966 where: bonds (distance) C4'-P energy: -99.534 bonds (distance) P-C4' energy: -138.904 flat angles C4'-P-C4' energy: -157.868 flat angles P-C4'-P energy: -92.777 tors. eta vs tors. theta energy: -221.329 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: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2492.814645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.814645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.814645 (E_RNA) where: Base-Base interactions energy: -1777.687 where: short stacking energy: -740.306 Base-Backbone interact. energy: 2.141 local terms energy: -717.268897 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -116.383 flat angles C4'-P-C4' energy: -148.782 flat angles P-C4'-P energy: -100.375 tors. eta vs tors. theta energy: -234.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2346.489890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.489890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.489890 (E_RNA) where: Base-Base interactions energy: -1689.111 where: short stacking energy: -677.349 Base-Backbone interact. energy: -2.107 local terms energy: -655.272322 where: bonds (distance) C4'-P energy: -124.576 bonds (distance) P-C4' energy: -108.060 flat angles C4'-P-C4' energy: -150.121 flat angles P-C4'-P energy: -76.741 tors. eta vs tors. theta energy: -195.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2240.201705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.201705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.201705 (E_RNA) where: Base-Base interactions energy: -1578.597 where: short stacking energy: -673.329 Base-Backbone interact. energy: 0.703 local terms energy: -662.307431 where: bonds (distance) C4'-P energy: -113.913 bonds (distance) P-C4' energy: -117.103 flat angles C4'-P-C4' energy: -137.231 flat angles P-C4'-P energy: -79.532 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: 7, replica: 7 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2154.542970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.542970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.542970 (E_RNA) where: Base-Base interactions energy: -1506.406 where: short stacking energy: -624.808 Base-Backbone interact. energy: -2.363 local terms energy: -645.774208 where: bonds (distance) C4'-P energy: -115.842 bonds (distance) P-C4' energy: -101.248 flat angles C4'-P-C4' energy: -140.401 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -202.480 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: 5 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1994.498825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.498825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.498825 (E_RNA) where: Base-Base interactions energy: -1402.962 where: short stacking energy: -580.332 Base-Backbone interact. energy: -0.843 local terms energy: -590.694389 where: bonds (distance) C4'-P energy: -110.531 bonds (distance) P-C4' energy: -98.284 flat angles C4'-P-C4' energy: -131.595 flat angles P-C4'-P energy: -81.366 tors. eta vs tors. theta energy: -168.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1863.270916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.270916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.270916 (E_RNA) where: Base-Base interactions energy: -1298.855 where: short stacking energy: -530.086 Base-Backbone interact. energy: -1.167 local terms energy: -563.249438 where: bonds (distance) C4'-P energy: -92.789 bonds (distance) P-C4' energy: -116.168 flat angles C4'-P-C4' energy: -131.539 flat angles P-C4'-P energy: -67.608 tors. eta vs tors. theta energy: -155.145 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: 501 Temperature: 1.350000 Total energy: -1396.196411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.196411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.196411 (E_RNA) where: Base-Base interactions energy: -931.496 where: short stacking energy: -373.804 Base-Backbone interact. energy: -1.961 local terms energy: -462.738634 where: bonds (distance) C4'-P energy: -79.446 bonds (distance) P-C4' energy: -107.343 flat angles C4'-P-C4' energy: -103.791 flat angles P-C4'-P energy: -82.370 tors. eta vs tors. theta energy: -89.788 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) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 86240347 moves confirmed later: 91063578 all moves confirmed: 177303925 percent of confirmed moves: 22.162991 current total energy: -2617.932480 recalc. total energy: -2617.932480 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 117528872 moves confirmed later: 131139606 all moves confirmed: 248668478 percent of confirmed moves: 31.083560 current total energy: -2537.706214 recalc. total energy: -2537.706214 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 96585093 moves confirmed later: 104304259 all moves confirmed: 200889352 percent of confirmed moves: 25.111169 current total energy: -2395.700169 recalc. total energy: -2395.700169 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 101084688 moves confirmed later: 109931039 all moves confirmed: 211015727 percent of confirmed moves: 26.376966 current total energy: -2362.998411 recalc. total energy: -2362.998411 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 100667123 moves confirmed later: 109994248 all moves confirmed: 210661371 percent of confirmed moves: 26.332671 current total energy: -2164.519718 recalc. total energy: -2164.519718 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 129018090 moves confirmed later: 146225013 all moves confirmed: 275243103 percent of confirmed moves: 34.405388 current total energy: -2205.448082 recalc. total energy: -2205.448082 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 106352733 moves confirmed later: 117337673 all moves confirmed: 223690406 percent of confirmed moves: 27.961301 current total energy: -1993.598914 recalc. total energy: -1993.598914 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 148826769 moves confirmed later: 171814761 all moves confirmed: 320641530 percent of confirmed moves: 40.080191 current total energy: -1847.457724 recalc. total energy: -1847.457724 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 115596600 moves confirmed later: 128626198 all moves confirmed: 244222798 percent of confirmed moves: 30.527850 current total energy: -1675.895975 recalc. total energy: -1675.895975 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 209129567 moves confirmed later: 249384309 all moves confirmed: 458513876 percent of confirmed moves: 57.314234 current total energy: -1228.875514 recalc. total energy: -1228.875514 out arg RESULTS//1/seq3-dc596560_01 Time of doing 8000000 iterations: 38478.146 seconds